diff --git a/.clang-format b/.clang-format new file mode 100644 index 000000000..1bec08fa5 --- /dev/null +++ b/.clang-format @@ -0,0 +1,94 @@ +# -*- mode: yaml -*- +--- +Language: Cpp +AccessModifierOffset: -2 +AlignAfterOpenBracket: AlwaysBreak +AlignConsecutiveAssignments: false +AlignConsecutiveDeclarations: false +AlignEscapedNewlinesLeft: false +AlignEscapedNewlines: Left +AlignOperands: true +AlignTrailingComments: true +AllowAllParametersOfDeclarationOnNextLine: true +AllowShortBlocksOnASingleLine: false +AllowShortCaseLabelsOnASingleLine: false +AllowShortFunctionsOnASingleLine: All +AllowShortIfStatementsOnASingleLine: false +AllowShortLoopsOnASingleLine: false +AlwaysBreakAfterDefinitionReturnType: TopLevel +AlwaysBreakAfterReturnType: None +AlwaysBreakBeforeMultilineStrings: false +AlwaysBreakTemplateDeclarations: true +BinPackArguments: true +BinPackParameters: false +BraceWrapping: + AfterClass: true + AfterControlStatement: false + AfterEnum: false + AfterFunction: true + AfterNamespace: false + AfterObjCDeclaration: false + AfterStruct: true + AfterUnion: false + BeforeCatch: false + BeforeElse: false + IndentBraces: false +BreakBeforeBinaryOperators: None +BreakBeforeBraces: Custom +BreakBeforeTernaryOperators: true +BreakConstructorInitializersBeforeComma: false +BreakAfterJavaFieldAnnotations: false +BreakStringLiterals: true +ColumnLimit: 80 +CommentPragmas: '^ IWYU pragma:' +ConstructorInitializerAllOnOneLineOrOnePerLine: true +ConstructorInitializerIndentWidth: 2 +ContinuationIndentWidth: 2 +Cpp11BracedListStyle: true +DerivePointerAlignment: false +DisableFormat: false +ForEachMacros: [ foreach, Q_FOREACH, BOOST_FOREACH ] +IncludeCategories: + - Regex: '^"(llvm|llvm-c|clang|clang-c)/' + Priority: 2 + - Regex: '^(<|"(gtest|isl|json)/)' + Priority: 3 + - Regex: '.*' + Priority: 1 +IncludeIsMainRegex: '$' +IndentCaseLabels: false +IndentWidth: 2 +IndentWrappedFunctionNames: false +JavaScriptQuotes: Leave +JavaScriptWrapImports: true +KeepEmptyLinesAtTheStartOfBlocks: true +MacroBlockBegin: '' +MacroBlockEnd: '' +MaxEmptyLinesToKeep: 1 +NamespaceIndentation: None +ObjCBlockIndentWidth: 2 +ObjCSpaceAfterProperty: false +ObjCSpaceBeforeProtocolList: true +PenaltyBreakBeforeFirstCallParameter: 19 +PenaltyBreakComment: 300 +PenaltyBreakFirstLessLess: 120 +PenaltyBreakString: 1000 +PenaltyExcessCharacter: 1000000 +PenaltyReturnTypeOnItsOwnLine: 60 +PointerAlignment: Left +ReflowComments: true +SortIncludes: false +SpaceAfterCStyleCast: false +SpaceBeforeAssignmentOperators: true +SpaceBeforeParens: ControlStatements +SpaceInEmptyParentheses: false +SpacesBeforeTrailingComments: 1 +SpacesInAngles: false +SpacesInContainerLiterals: true +SpacesInCStyleCastParentheses: false +SpacesInParentheses: false +SpacesInSquareBrackets: false +Standard: Cpp11 +TabWidth: 2 +UseTab: Never + diff --git a/.gitattributes b/.gitattributes new file mode 100644 index 000000000..03c649dbd --- /dev/null +++ b/.gitattributes @@ -0,0 +1,2 @@ +*.H linguist-language=C++ +*.h linguist-language=C++ diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml new file mode 100644 index 000000000..0d83ddcc8 --- /dev/null +++ b/.github/workflows/ci.yml @@ -0,0 +1,87 @@ +name: PeleC-CI + +on: + push: + branches: [development] + pull_request: + branches: [development] + +env: + CXX_COMPILER: mpicxx + C_COMPILER: mpicc + FORTRAN_COMPILER: mpifort + BUILD_TYPE: RelWithDebInfo + NUM_PROCS: 16 + +jobs: + build: + runs-on: ${{matrix.os}} + strategy: + matrix: + os: [ubuntu-latest, macos-latest] + include: + - os: macos-latest + install_deps: brew install open-mpi automake + comp: llvm + - os: ubuntu-latest + install_deps: sudo apt-get install mpich libmpich-dev + comp: gnu + steps: + - uses: actions/checkout@v2 + with: + submodules: true + - name: setup + run: | + cmake -E make_directory ${{runner.workspace}}/build-ci + cmake -E make_directory ${{runner.workspace}}/deps + - name: python + uses: actions/setup-python@v2 + with: + python-version: '3.x' + - name: dependencies + run: | + # Install MPI + ${{matrix.install_deps}} + # Install MetaPhysicL + cd ${{runner.workspace}}/deps + git clone --recursive https://github.com/roystgnr/MetaPhysicL.git ${{runner.workspace}}/deps/MetaPhysicL + cd ${{runner.workspace}}/deps/MetaPhysicL + ./bootstrap + ./configure CXX=${{env.CXX_COMPILER}} CC=${{env.C_COMPILER}} FC=${{env.FORTRAN_COMPILER}} --prefix="${{runner.workspace}}/deps/install/MetaPhysicL" + make -j ${{env.NUM_PROCS}} + make install + # Install MASA + cd ${{runner.workspace}}/deps + git clone --recursive https://github.com/manufactured-solutions/MASA.git ${{runner.workspace}}/deps/MASA + cd ${{runner.workspace}}/deps/MASA + ./bootstrap + ./configure CXX='${{env.CXX_COMPILER}} -std=c++11' CC=${{env.C_COMPILER}} FC=${{env.FORTRAN_COMPILER}} --enable-fortran-interfaces METAPHYSICL_DIR="${{runner.workspace}}/deps/install/MetaPhysicL" --prefix="${{runner.workspace}}/deps/install/MASA" + make -j ${{env.NUM_PROCS}} + make install + # Install Python packages + python -m pip install --upgrade pip + pip install nose numpy pandas + - name: configure + working-directory: ${{runner.workspace}}/build-ci + run: | + cmake \ + -DCMAKE_INSTALL_PREFIX:PATH=${{runner.workspace}}/install \ + -DCMAKE_BUILD_TYPE:STRING=${{env.BUILD_TYPE}} \ + -DCMAKE_CXX_COMPILER:STRING=${{env.CXX_COMPILER}} \ + -DCMAKE_C_COMPILER:STRING=${{env.C_COMPILER}} \ + -DCMAKE_Fortran_COMPILER:STRING=${{env.FORTRAN_COMPILER}} \ + -DPELEC_ENABLE_MPI:BOOL=ON \ + -DPELEC_ENABLE_TESTS:BOOL=ON \ + -DPELEC_ENABLE_FCOMPARE_FOR_TESTS:BOOL=OFF \ + -DPELEC_ENABLE_MASA:BOOL=ON \ + -DMASA_DIR:STRING=${{runner.workspace}}/deps/install/MASA \ + ${GITHUB_WORKSPACE} + - name: make + working-directory: ${{runner.workspace}}/build-ci + run: cmake --build . -- -j ${{env.NUM_PROCS}} + - name: test + working-directory: ${{runner.workspace}}/build-ci + run: ctest -j ${{env.NUM_PROCS}} -LE no-ci --output-on-failure + - name: gnumake + working-directory: ./ExecCpp/RegTests/PMF + run: make -j ${{env.NUM_PROCS}} COMP=${{matrix.comp}} USE_MPI=TRUE diff --git a/.gitignore b/.gitignore index e95eb4499..a44c5d6a5 100644 --- a/.gitignore +++ b/.gitignore @@ -1 +1,13 @@ -/Exec/WORK/* \ No newline at end of file +/Exec/WORK/* +.DS_Store +datlog +mmslog +ic.txt +plt* +chk* +tmp_build_dir +.ccls-cache +PeleC*.ex +extern_parameters.H +extern_parameters.cpp +extern_parameters_F.H \ No newline at end of file diff --git a/.gitmodules b/.gitmodules index 01bb5dad4..4425aa3e5 100644 --- a/.gitmodules +++ b/.gitmodules @@ -4,9 +4,9 @@ [submodule "Submodules/PelePhysics"] path = Submodules/PelePhysics url = https://github.com/AMReX-Combustion/PelePhysics.git -[submodule "Submodules/GoogleTest"] - path = Testing/GoogleTest - url = https://github.com/google/googletest.git [submodule "Submodules/PeleC-MP"] path = Submodules/PeleC-MP url = https://github.com/AMReX-Combustion/PeleC-MP.git +[submodule "Submodules/GoogleTest"] + path = Submodules/GoogleTest + url = https://github.com/google/googletest.git diff --git a/.travis.yml b/.travis.yml deleted file mode 100644 index 52f092030..000000000 --- a/.travis.yml +++ /dev/null @@ -1,84 +0,0 @@ -language: cpp -sudo: false - -# Use Linux unless specified otherwise -os: linux -dist: xenial - -# All environments to test -matrix: - include: - - env: - - CXX_COMPILER=g++-7 - - C_COMPILER=gcc-7 - - Fortran_COMPILER=gfortran - - MPI_CXX_COMPILER=mpicxx - - MPI_C_COMPILER=mpicc - - MPI_Fortran_COMPILER=mpifort - - BUILD_TYPE=Release - addons: &mpich - apt: - packages: - - g++-7 - - gcc-7 - - gfortran - - mpich - - libmpich-dev - - python3.6 - - python3.6-venv - sources: - - ubuntu-toolchain-r-test - - deadsnakes - -install: - # Set the ${CXX} variable properly - - export CXX=${CXX_COMPILER} - - export CC=${C_COMPILER} - - ${CXX} --version - - ${CC} --version - - # Travis machines have 2 cores - - export JOBS=2 - - # Dependencies required by the CI are installed in ${TRAVIS_BUILD_DIR}/deps/ - - DEPS_DIR="${TRAVIS_BUILD_DIR}/deps" - - mkdir -p "${DEPS_DIR}" - - cd "${DEPS_DIR}" - - # Install python dependencies in virtual environment - - python3.6 -m venv env - - source env/bin/activate - - pip3 install matplotlib numpy nose pandas - - # Install a recent CMake (unless already installed on OS X) - - CMAKE_VERSION=3.14.3 - - | - if [[ "${TRAVIS_OS_NAME}" == "linux" ]]; then - CMAKE_URL="https://cmake.org/files/v${CMAKE_VERSION%.[0-9]}/cmake-${CMAKE_VERSION}-Linux-x86_64.tar.gz" - mkdir cmake && travis_retry wget --no-check-certificate -O - ${CMAKE_URL} | tar --strip-components=1 -xz -C cmake - export PATH=${DEPS_DIR}/cmake/bin:${PATH} - else - brew install cmake || brew upgrade cmake - fi - - cmake --version - - # Install MASA - - git clone https://github.com/roystgnr/MetaPhysicL.git - - cd MetaPhysicL && ./bootstrap && ./configure --prefix="${DEPS_DIR}/install/MetaPhysicL" && make -j${JOBS} && make install && cd .. - - git clone https://github.com/manufactured-solutions/MASA.git - - cd MASA && ./bootstrap && ./configure --enable-fortran-interfaces METAPHYSICL_DIR="${DEPS_DIR}/install/MetaPhysicL" --prefix="${DEPS_DIR}/install/MASA" && make -j${JOBS} && make install && cd .. - - export MASA_ROOT_DIR="${DEPS_DIR}/install/MASA" - -before_script: - # have CMake to generate build files - - cd "${TRAVIS_BUILD_DIR}" - - mkdir build && cd build - - cmake -DCMAKE_INSTALL_PREFIX:PATH=./install -DCMAKE_BUILD_TYPE:STRING=$BUILD_TYPE -DPELEC_ENABLE_MPI:BOOL=ON -DCMAKE_CXX_COMPILER:STRING=$MPI_CXX_COMPILER -DCMAKE_C_COMPILER:STRING=$MPI_C_COMPILER -DCMAKE_Fortran_COMPILER:STRING=$MPI_Fortran_COMPILER -DENABLE_TESTS:BOOL=ON -DTEST_WITH_FEXTREMA:BOOL=ON -DPELEC_ENABLE_MASA:BOOL=ON -DMASA_DIR:STRING=${MASA_ROOT_DIR} -DENABLE_VERIFICATION:BOOL=ON .. - -script: - # Build the tests and run tests only if built successfully - # Ideally we would run all the tests: - # - ctest --output-on-failure -j${JOBS} - # But really we only get 50 min on Travis CI and building the tests - # takes 28 min so we exclude some longer running tests - - cmake --build . -- -j${JOBS} && ctest --output-on-failure -j${JOBS} -E "(fiab-3d|cns_no_amr_mol_3d|cns_no_amr_3d|cns_les_no_amr_3d)" diff --git a/Build/.gitignore b/Build/.gitignore deleted file mode 100644 index 15526a194..000000000 --- a/Build/.gitignore +++ /dev/null @@ -1,16 +0,0 @@ -.ninja_deps -.ninja_log -CMakeCache.txt -CMakeFiles -CTestCustom.cmake -CTestTestfile.cmake -DartConfiguration.tcl -generated_files/ -fortran_modules/ -Testing -build.ninja -rules.ninja -cmake_install.cmake -fcompare -fcompare_fortran_modules -*amrex*.a diff --git a/Build/Prob_nd.F90 b/Build/Prob_nd.F90 deleted file mode 100644 index 0c2a3c99a..000000000 --- a/Build/Prob_nd.F90 +++ /dev/null @@ -1,201 +0,0 @@ -module pc_prob_module - - implicit none - - private - - public :: amrex_probinit, pc_initdata, pc_prob_close - -contains - - subroutine amrex_probinit (init,name,namlen,problo,probhi) bind(C, name = "amrex_probinit") - - use probdata_module - use prob_params_module, only: dim - use amrex_error_module - implicit none - - integer :: init, namlen - integer :: name(namlen) - double precision :: problo(dim), probhi(dim) - character(len=72) :: pmf_datafile = '' - - integer untin,i - - namelist /fortin/ pamb, phi_in, T_in, vn_in, pertmag, pmf_datafile - - ! - ! Build "probin" filename -- the name of file containing fortin namelist. - ! - integer, parameter :: maxlen = 256 - character probin*(maxlen) - - if (namlen .gt. maxlen) then - write(6,*) 'probin file name too long' - stop - end if - - do i = 1, namlen - probin(i:i) = char(name(i)) - end do - - pamb = 1013250.d0*100.0 ! 1 atm - - phi_in = -0.2d0 ! inlet equivalent ratio, -ve if from pmf file - T_in = 298.d0 ! inlet temperature, if not from pmf file - vn_in = 0.20 ! inlet flow velocity, if not from pmf file - - pertmag = 0.d0 - - ! Read namelists - untin = 9 - open(untin,file=probin(1:namlen),form='formatted',status='old') - read(untin,fortin) - close(unit=untin) - - call initialize_pmf(pmf_datafile) - call init_bc() - - L = 1.d0 - L(1:dim) = probhi(1:dim) - problo(1:dim) - - end subroutine amrex_probinit - - - ! ::: ----------------------------------------------------------- - ! ::: This routine is called at problem setup time and is used - ! ::: to initialize data on each grid. - ! ::: - ! ::: NOTE: all arrays have one cell of ghost zones surrounding - ! ::: the grid interior. Values in these cells need not - ! ::: be set here. - ! ::: - ! ::: INPUTS/OUTPUTS: - ! ::: - ! ::: level => amr level of grid - ! ::: time => time at which to init data - ! ::: lo,hi => index limits of grid interior (cell centered) - ! ::: nvar => number of state components. - ! ::: state <= scalar array - ! ::: dx => cell size - ! ::: xlo, xhi => physical locations of lower left and upper - ! ::: right hand corner of grid. (does not include - ! ::: ghost region). - ! ::: ----------------------------------------------------------- - - subroutine pc_initdata(level,time,lo,hi,nvar, & - state,state_lo,state_hi, & - dx,xlo,xhi) bind(C, name="pc_initdata") - use eos_type_module - use probdata_module - use meth_params_module, only : URHO, UMX, UMY, UMZ, UEINT, UEDEN, UTEMP, UFS - use prob_params_module, only : problo, dim - use eos_module - use network, only: nspecies - use amrex_constants_module, only: M_PI, HALF - - implicit none - - integer :: level, nvar - integer :: lo(3), hi(3) - integer :: state_lo(3), state_hi(3) - double precision :: xlo(3), xhi(3), time, dx(3) - double precision :: state(state_lo(1):state_hi(1), & - state_lo(2):state_hi(2), & - state_lo(3):state_hi(3),nvar) - - ! local variables - integer :: i, j, k, n, nPMF - double precision :: yl, yr, x, y, z, u(3), pert - double precision, allocatable :: pmf_vals(:) - - type (eos_t) :: eos_state - - if (.not. bc_initialized) then - call bl_error('bc_init not called prior to pc_initdata') - endif - - call build(eos_state) - allocate(pmf_vals(nspecies+4)) - - do k = lo(3), hi(3) - z = problo(3) + dx(3)*(dble(k) + HALF) - do j = lo(2), hi(2) - y = problo(2) + dx(2)*(dble(j) + HALF) - do i = lo(1), hi(1) - x = problo(1) + dx(1)*(dble(i) + HALF) - - if (phi_in .lt. 0.d0) then - - pert = 0.d0 - if (dim .eq. 1) then - - call pmf(x,x,pmf_vals,nPMF) - - else if (dim .eq. 2) then - - if (pertmag .gt. 0.d0) then - pert = pertmag * & - ( 1.000 * sin(2*M_PI*4* x /L(1)) & - + 1.023 * sin(2*M_PI*2*(x-.4598 )/L(1)) & - + 0.945 * sin(2*M_PI*3*(x-.712435)/L(1)) & - + 1.017 * sin(2*M_PI*5*(x-.33 )/L(1)) & - + 0.982 * sin(2*M_PI*5*(x-1.4234 )/L(1)) ) - endif - call pmf(y+pert,y+pert,pmf_vals,nPMF) - - else - - if (pertmag .gt. 0.d0) then - pert = pertmag * & - ( 1.000 * sin(2*M_PI*4* x /L(1)) * sin(2*M_PI*5* y /L(2)) & - + 1.023 * sin(2*M_PI*2*(x-.4598 )/L(1)) * sin(2*M_PI*4*(y-.53765)/L(2))& - + 0.945 * sin(2*M_PI*3*(x-.712435)/L(1)) * sin(2*M_PI*3*(y-2.137 )/L(2))& - + 1.017 * sin(2*M_PI*5*(x-0.33 )/L(1)) * sin(2*M_PI*6*(y-1.8 )/L(2))& - + 0.982 * sin(2*M_PI*5*(x-1.4234 )/L(1)) ) - endif - call pmf(z+pert,z+pert,pmf_vals,nPMF) - - endif - - eos_state % molefrac(1:nspecies) = pmf_vals(4:3+nspecies) - eos_state % T = pmf_vals(1) - - eos_state % p = pamb - u = 0 - u(dim) = pmf_vals(2) - - call eos_xty(eos_state) - call eos_tp(eos_state) - - state(i,j,k,URHO ) = eos_state % rho - state(i,j,k,UMX ) = eos_state % rho * u(1) - state(i,j,k,UMY ) = eos_state % rho * u(2) - state(i,j,k,UMZ ) = eos_state % rho * u(3) - state(i,j,k,UEINT) = eos_state % rho * eos_state % e - state(i,j,k,UEDEN) = eos_state % rho * (eos_state % e + 0.5d0 * (u(1)**2 + u(2)**2 + u(3)**2)) - state(i,j,k,UTEMP) = eos_state % T - state(i,j,k,UFS:UFS+nspecies-1) = eos_state % rho * eos_state % massfrac(1:nspecies) - else - state(i,j,k,:) = fuel_state(:) - endif - - end do - end do - end do - - deallocate(pmf_vals) - call destroy(eos_state) - - end subroutine pc_initdata - - subroutine pc_prob_close() & - bind(C, name="pc_prob_close") - - use probdata_module - - call clear_bc() - - end subroutine pc_prob_close - -end module pc_prob_module diff --git a/Build/README.md b/Build/README.md deleted file mode 100644 index 79e41af41..000000000 --- a/Build/README.md +++ /dev/null @@ -1 +0,0 @@ -This is an example directory for building using CMake. diff --git a/Build/bc_fill_nd.F90 b/Build/bc_fill_nd.F90 deleted file mode 100644 index cad2cede6..000000000 --- a/Build/bc_fill_nd.F90 +++ /dev/null @@ -1,242 +0,0 @@ -module bc_fill_module - - implicit none - - public - -contains - - subroutine pc_hypfill(adv,adv_lo,adv_hi,domlo,domhi,delta,xlo,time,bc) & - bind(C, name="pc_hypfill") - - use meth_params_module, only: NVAR - use prob_params_module, only: dim - - implicit none - - include 'AMReX_bc_types.fi' - - integer :: adv_lo(3),adv_hi(3) - integer :: bc(dim,2,*) - integer :: domlo(3), domhi(3) - double precision :: delta(3), xlo(3), time - double precision :: adv(adv_lo(1):adv_hi(1),adv_lo(2):adv_hi(2),adv_lo(3):adv_hi(3),NVAR) - - double precision :: x(3) - integer :: i, j, k, n - - do n = 1,NVAR - call filcc_nd(adv(:,:,:,n),adv_lo,adv_hi,domlo,domhi,delta,xlo,bc(:,:,n)) - enddo - - ! The strategy here is to set Dirichlet condition for inflow and - ! outflow boundaries, and let the Riemann solver sort out the proper - ! upwinding. However, this decision makes this routine look - ! somewhat non-orthodox, in that we need to set external values in - ! either case....how do we know it's Outflow? We have to assume - ! that the setup routines converted Outflow to FOEXTRAP. - - - ! XLO - if ( (bc(1,1,1).eq.EXT_DIR).and. adv_lo(1).lt.domlo(1)) then - do i = adv_lo(1), domlo(1)-1 - x(1) = xlo(1) + delta(1)*(dble(i-adv_lo(1)) + 0.5d0) - do j = adv_lo(2), adv_hi(2) - x(2) = xlo(2) + delta(2)*(dble(j-adv_lo(2)) + 0.5d0) - do k = adv_lo(3), adv_hi(3) - x(3) = xlo(3) + delta(3)*(dble(k-adv_lo(3)) + 0.5d0) - call bcnormal(x,adv(domlo(1),j,k,:),adv(i,j,k,:),1,+1,time) - end do - end do - end do - end if - - ! XHI - if ( (bc(1,2,1).eq.EXT_DIR).and. adv_hi(1).gt.domhi(1)) then - do i = domhi(1)+1, adv_hi(1) - x(1) = xlo(1) + delta(1)*(dble(i-adv_lo(1)) + 0.5d0) - do j = adv_lo(2), adv_hi(2) - x(2) = xlo(2) + delta(2)*(dble(j-adv_lo(2)) + 0.5d0) - do k = adv_lo(3), adv_hi(3) - x(3) = xlo(3) + delta(3)*(dble(k-adv_lo(3)) + 0.5d0) - call bcnormal(x,adv(domhi(1),j,k,:),adv(i,j,k,:),1,-1,time) - end do - end do - end do - end if - - if (dim .gt. 1) then - ! YLO - if ( (bc(2,1,1).eq.EXT_DIR).and. adv_lo(2).lt.domlo(2)) then - do i = adv_lo(1), adv_hi(1) - x(1) = xlo(1) + delta(1)*(dble(i-adv_lo(1)) + 0.5d0) - do j = adv_lo(2), domlo(2)-1 - x(2) = xlo(2) + delta(2)*(dble(j-adv_lo(2)) + 0.5d0) - do k = adv_lo(3), adv_hi(3) - x(3) = xlo(3) + delta(3)*(dble(k-adv_lo(3)) + 0.5d0) - call bcnormal(x,adv(i,domlo(2),k,:),adv(i,j,k,:),2,+1,time) - end do - end do - end do - end if - - ! YHI - if ( (bc(2,2,1).eq.EXT_DIR).and. adv_hi(2).gt.domhi(2)) then - do i = adv_lo(1), adv_hi(1) - x(1) = xlo(1) + delta(1)*(dble(i-adv_lo(1)) + 0.5d0) - do j = domhi(2)+1, adv_hi(2) - x(2) = xlo(2) + delta(2)*(dble(j-adv_lo(2)) + 0.5d0) - do k = adv_lo(3), adv_hi(3) - x(3) = xlo(3) + delta(3)*(dble(k-adv_lo(3)) + 0.5d0) - call bcnormal(x,adv(i,domhi(2),k,:),adv(i,j,k,:),2,-1,time) - end do - end do - end do - end if - - if (dim .gt. 2) then - ! ZLO - if ( (bc(3,1,1).eq.EXT_DIR).and. adv_lo(3).lt.domlo(3)) then - do i = adv_lo(1), adv_hi(1) - x(1) = xlo(1) + delta(1)*(dble(i-adv_lo(1)) + 0.5d0) - do j = adv_lo(2), adv_hi(2) - x(2) = xlo(2) + delta(2)*(dble(j-adv_lo(2)) + 0.5d0) - do k = adv_lo(3), domlo(3)-1 - x(3) = xlo(3) + delta(3)*(dble(k-adv_lo(3)) + 0.5d0) - call bcnormal(x,adv(i,j,domlo(3),:),adv(i,j,k,:),3,+1,time) - end do - end do - end do - end if - - ! ZHI - if ( (bc(3,2,1).eq.EXT_DIR).and. adv_hi(3).gt.domhi(3)) then - do i = adv_lo(1), adv_hi(1) - x(1) = xlo(1) + delta(1)*(dble(i-adv_lo(1)) + 0.5d0) - do j = adv_lo(2), adv_hi(2) - x(2) = xlo(2) + delta(2)*(dble(j-adv_lo(2)) + 0.5d0) - do k = domhi(3)+1, adv_hi(3) - x(3) = xlo(3) + delta(3)*(dble(k-adv_lo(3)) + 0.5d0) - call bcnormal(x,adv(i,j,domhi(3),:),adv(i,j,k,:),3,-1,time) - end do - end do - end do - end if - end if - end if - - end subroutine pc_hypfill - - subroutine bcnormal(x,u_int,u_ext,dir,sgn,time,bc_type,bc_params,bc_target) - - use probdata_module - use eos_type_module - use eos_module - use meth_params_module, only : URHO, UMX, UMY, UMZ, UTEMP, UEDEN, UEINT, UFS, NVAR - use network, only: nspecies, naux - use prob_params_module, only : Interior, Inflow, Outflow, SlipWall, NoSlipWall, & - problo, probhi, dim - - use amrex_constants_module, only: M_PI - - implicit none - - double precision :: x(3),time - double precision :: u_int(NVAR),u_ext(NVAR) - integer :: dir,sgn, nPMF - - integer, optional, intent(out) :: bc_type - double precision, optional, intent(out) :: bc_params(6) - double precision, optional, intent(out) :: bc_target(5) - - type (eos_t) :: eos_state - double precision :: u(3), rho_inv - double precision :: relax_U, relax_V, relax_T, beta, sigma_out - double precision, allocatable :: pmf_vals(:) - - call build(eos_state) - allocate(pmf_vals(nspecies+4)) - - if (.not. bc_initialized) then - call init_bc() - end if - - if (sgn.eq.-1) then - - call pmf(probhi(dir),probhi(dir),pmf_vals,nPMF) - - eos_state % molefrac(1:nspecies) = pmf_vals(4:3+nspecies) - eos_state % T = pmf_vals(1) - - eos_state % p = pamb - u = 0 - u(dim) = pmf_vals(2) - - call eos_xty(eos_state) - call eos_tp(eos_state) - - u_ext(URHO ) = eos_state % rho - u_ext(UMX ) = eos_state % rho * u(1) - u_ext(UMY ) = eos_state % rho * u(2) - u_ext(UMZ ) = eos_state % rho * u(3) - u_ext(UEINT) = eos_state % rho * eos_state % e - u_ext(UEDEN) = eos_state % rho * (eos_state % e + 0.5d0 * (u(1)**2 + u(2)**2 + u(3)**2)) - u_ext(UTEMP) = eos_state % T - u_ext(UFS:UFS+nspecies-1) = eos_state % rho * eos_state % massfrac(1:nspecies) - - else - - call pmf(problo(dir),problo(dir),pmf_vals,nPMF) - - eos_state % molefrac(1:nspecies) = pmf_vals(4:3+nspecies) - eos_state % T = pmf_vals(1) - - eos_state % p = pamb - u = 0 - u(dim) = pmf_vals(2) - - call eos_xty(eos_state) - call eos_tp(eos_state) - - u_ext(URHO ) = eos_state % rho - u_ext(UMX ) = eos_state % rho * u(1) - u_ext(UMY ) = eos_state % rho * u(2) - u_ext(UMZ ) = eos_state % rho * u(3) - u_ext(UEINT) = eos_state % rho * eos_state % e - u_ext(UEDEN) = eos_state % rho * (eos_state % e + 0.5d0 * (u(1)**2 + u(2)**2 + u(3)**2)) - u_ext(UTEMP) = eos_state % T - u_ext(UFS:UFS+nspecies-1) = eos_state % rho * eos_state % massfrac(1:nspecies) - - endif - - deallocate(pmf_vals) - call destroy(eos_state) - - end subroutine bcnormal - - subroutine pc_reactfill(adv,adv_lo,adv_hi,domlo,domhi,delta,xlo,time,bc) & - bind(C, name="pc_reactfill") - - use meth_params_module, only: NVAR - use prob_params_module, only: dim - - implicit none - - include 'AMReX_bc_types.fi' - - integer :: adv_lo(3),adv_hi(3) - integer :: bc(dim,2,*) - integer :: domlo(3), domhi(3) - double precision :: delta(3), xlo(3), time - double precision :: adv(adv_lo(1):adv_hi(1),adv_lo(2):adv_hi(2),adv_lo(3):adv_hi(3),NVAR) - - double precision :: x(3) - integer :: i, j, k, n - - do n = 1,NVAR - call filcc_nd(adv(:,:,:,n),adv_lo,adv_hi,domlo,domhi,delta,xlo,bc(:,:,n)) - enddo - end subroutine pc_reactfill - -end module bc_fill_module - diff --git a/Build/cmake.sh b/Build/cmake.sh new file mode 100755 index 000000000..e8f6f278d --- /dev/null +++ b/Build/cmake.sh @@ -0,0 +1,21 @@ +#!/bin/bash + +# Example CMake config script for an OSX laptop with OpenMPI + +cmake -DCMAKE_INSTALL_PREFIX:PATH=./install \ + -DCMAKE_CXX_COMPILER:STRING=mpicxx \ + -DCMAKE_C_COMPILER:STRING=mpicc \ + -DCMAKE_Fortran_COMPILER:STRING=mpifort \ + -DMPIEXEC_PREFLAGS:STRING=--oversubscribe \ + -DCMAKE_BUILD_TYPE:STRING=Release \ + -DPELEC_DIM:STRING=3 \ + -DPELEC_ENABLE_MPI:BOOL=ON \ + -DPELEC_ENABLE_AMREX_EB:BOOL=ON \ + -DPELEC_ENABLE_TESTS:BOOL=ON \ + -DPELEC_ENABLE_MASA:BOOL=ON \ + -DPELEC_ENABLE_FCOMPARE:BOOL=ON \ + -DPELEC_ENABLE_FCOMPARE_FOR_TESTS:BOOL=OFF \ + -DMASA_DIR:STRING=$(spack location -i masa) \ + -DPELEC_ENABLE_DOCUMENTATION:BOOL=OFF \ + -DCMAKE_EXPORT_COMPILE_COMMANDS:BOOL=ON \ + .. && make -j8 diff --git a/Build/do-config-pele-eagle.sh b/Build/do-config-pele-eagle.sh deleted file mode 100755 index 5bf427cba..000000000 --- a/Build/do-config-pele-eagle.sh +++ /dev/null @@ -1,48 +0,0 @@ -#!/bin/bash -l - -# Example CMake config script for PeleC on Eagle - -MODULES=modules -COMPILER=gcc-7.4.0 - -cmd() { - echo "+ $@" - eval "$@" -} - -set -e - -# Load environment -cmd "module purge" -cmd "module unuse ${MODULEPATH}" -cmd "module use /nopt/nrel/ecom/hpacf/binaries/${MODULES}" -cmd "module use /nopt/nrel/ecom/hpacf/compilers/${MODULES}" -cmd "module use /nopt/nrel/ecom/hpacf/utilities/${MODULES}" -cmd "module use /nopt/nrel/ecom/hpacf/software/${MODULES}/${COMPILER}" -cmd "module load gcc" -cmd "module load git" -cmd "module load python/3.7.3" -cmd "module load mpich" -cmd "module load masa" -cmd "module load cmake" - -# Clean before cmake configure -set +e -cmd "rm -rf CMakeFiles" -cmd "rm -f CMakeCache.txt" -set -e - -(set -x; cmake -DCMAKE_INSTALL_PREFIX:PATH=./install \ - -DCMAKE_BUILD_TYPE:STRING=Release \ - -DPELEC_ENABLE_MPI:BOOL=ON \ - -DCMAKE_CXX_COMPILER:STRING=mpicxx \ - -DCMAKE_C_COMPILER:STRING=mpicc \ - -DCMAKE_Fortran_COMPILER:STRING=mpifort \ - -DENABLE_TESTS:BOOL=ON \ - -DENABLE_VERIFICATION:BOOL=ON \ - -DTEST_WITH_FCOMPARE:BOOL=OFF \ - -DTEST_WITH_FEXTREMA:BOOL=ON \ - -DPELEC_ENABLE_MASA:BOOL=ON \ - -DMASA_DIR:STRING=${MASA_ROOT_DIR} \ - .. && nice make -j24) - diff --git a/Build/do-config-pele-ninja.sh b/Build/do-config-pele-ninja.sh deleted file mode 100755 index 1cd286c1a..000000000 --- a/Build/do-config-pele-ninja.sh +++ /dev/null @@ -1,25 +0,0 @@ -#!/bin/bash - -# Example CMake config script for and OSX laptop with OpenMPI - -#export PATH=$PATH:$(spack location -i ninja)/bin # or whatever to get the kitware version of ninja with fortran in your path - -cmake -G Ninja -DCMAKE_INSTALL_PREFIX:PATH=./install \ - -DCMAKE_BUILD_TYPE:STRING=Release \ - -DPELEC_ENABLE_MPI:BOOL=ON \ - -DCMAKE_CXX_COMPILER:STRING=mpicxx \ - -DCMAKE_C_COMPILER:STRING=mpicc \ - -DCMAKE_Fortran_COMPILER:STRING=mpifort \ - .. && ninja -j8 - -# Extra options - #-DENABLE_FCOMPARE:BOOL=ON \ - #-DENABLE_FEXTREMA:BOOL=ON \ - #-DENABLE_TESTS:BOOL=ON \ - #-DENABLE_VERIFICATION:BOOL=ON \ - #-DTEST_WITH_FCOMPARE:BOOL=OFF \ - #-DTEST_WITH_FEXTREMA:BOOL=OFF \ - #-DPELEC_ENABLE_MASA:BOOL=ON \ - #-DMASA_DIR:STRING=$(spack location -i masa) \ - #-DMPIEXEC_PREFLAGS:STRING=--oversubscribe \ - #-DENABLE_DOCUMENTATION:BOOL=OFF \ diff --git a/Build/do-config-pele.sh b/Build/do-config-pele.sh deleted file mode 100755 index ea1a63f28..000000000 --- a/Build/do-config-pele.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -# Example CMake config script for and OSX laptop with OpenMPI - -cmake -DCMAKE_INSTALL_PREFIX:PATH=./install \ - -DCMAKE_BUILD_TYPE:STRING=Release \ - -DPELEC_ENABLE_MPI:BOOL=ON \ - -DCMAKE_CXX_COMPILER:STRING=mpicxx \ - -DCMAKE_C_COMPILER:STRING=mpicc \ - -DCMAKE_Fortran_COMPILER:STRING=mpifort \ - .. - -# Extra options - #-DENABLE_FCOMPARE:BOOL=ON \ - #-DENABLE_FEXTREMA:BOOL=ON \ - #-DENABLE_TESTS:BOOL=ON \ - #-DENABLE_VERIFICATION:BOOL=ON \ - #-DTEST_WITH_FCOMPARE:BOOL=OFF \ - #-DTEST_WITH_FEXTREMA:BOOL=OFF \ - #-DPELEC_ENABLE_MASA:BOOL=ON \ - #-DMASA_DIR:STRING=$(spack location -i masa) \ - #-DMPIEXEC_PREFLAGS:STRING=--oversubscribe \ - #-DENABLE_DOCUMENTATION:BOOL=ON \ diff --git a/Build/exe_options.cmake b/Build/exe_options.cmake deleted file mode 100644 index 66c688da2..000000000 --- a/Build/exe_options.cmake +++ /dev/null @@ -1,17 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Build/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Build/pmf_generic.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Build/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Build/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL Fuego) -set(PELEC_REACTIONS_MODEL Fuego) -set(PELEC_CHEMISTRY_MODEL LiDryer) -set(PELEC_TRANSPORT_MODEL EGLib) diff --git a/Build/pmf_generic.f90 b/Build/pmf_generic.f90 deleted file mode 100644 index 61255798b..000000000 --- a/Build/pmf_generic.f90 +++ /dev/null @@ -1,318 +0,0 @@ -module pmf_module - implicit none - character(len=72) :: pmf_filename = '' - integer :: pmf_init = 0, pmf_M, pmf_N, pmf_do_average = 0 - double precision, allocatable :: pmf_X(:) - double precision, allocatable :: pmf_Y(:,:) - character (len=20), allocatable :: pmf_names(:) - -contains - - subroutine read_pmf() - character (len=20) :: ctmp1, ctmp2, fmt - character (len=1) :: ctmp - integer index, found, ist, reason, i, j, lsize, pos1, pos2, n - - integer, parameter :: maxlinelen = 256 - character(len=maxlinelen) :: line - character(len=maxlinelen) :: tline, name - - integer :: idbg - - ! Read 2 header lines, first looks like VARIABLES = NAME1 NAME2 NAME3..., we dont care about second - open(unit=32,file=pmf_filename,status='old') - - reason = 0 - - ! Get length of first line - lsize = 1 - do while (.true.) - read(32,'(A)',EOR=5,END=5,ADVANCE='NO') ctmp - lsize = lsize+1 - enddo -5 if (lsize .gt. maxlinelen) then - print *,'maxlinelen in pmf_generic not large enough for first line of data file' - stop - endif - rewind(32) - - write(fmt,'("(A", I0, ")")') lsize - read(32,trim(fmt)) line - - ! Get number of variables - ist = INDEX(line, "=") - line = trim(line(ist+1:)) - pmf_M = 0 - - tline = line - DO - do while (tline(1:1) .eq. ' ' .and. len(tline).gt.0) - tline = tline(2:) - enddo - pos1 = INDEX(tline, '"') - - IF (len(tline).eq.0 .or. pos1 == 0) THEN - EXIT - END IF - pmf_M = pmf_M + 1 - - tline = tline(pos1+1:) - - pos1 = INDEX(tline, '"') - - if (pos1.eq.0) then - print *,'variable name in data file missing a closing quote' - endif - - tline = tline(pos1+1:) - - if (len(trim(tline)).eq.0) EXIT - END DO - - ! Allocate space for names, and do all this all over again - ! (fortran text parsing is torture!) - allocate(pmf_names(pmf_M)) - pmf_M = pmf_M - 1 ! remove the X - - n = 0 - tline = line - DO - do while (tline(1:1) .eq. ' ' .and. len(tline).gt.0) - tline = tline(2:) - enddo - pos1 = INDEX(tline, '"') - - IF (len(tline).eq.0 .or. pos1 == 0) THEN - EXIT - END IF - - tline = tline(pos1+1:) - - pos1 = INDEX(tline, '"') - - n = n + 1 - pmf_names(n) = tline(:pos1-1) - - tline = tline(pos1+1:) - - if (len(trim(tline)).eq.0) EXIT - END DO - - read(32,*) line! Throw away this line - - ! Count the lines of data - pmf_N = 0 - do while (.true.) - read(32,*,END=2) line - pmf_N = pmf_N+1 - enddo -2 continue - - allocate(pmf_X(pmf_N)) - allocate(pmf_Y(pmf_N,pmf_M)) - - ! Now read data - rewind(32) - read(32,'(A)',advance='yes') line - read(32,'(A)',advance='yes') line - do i = 1,pmf_N - read(32,*) pmf_X(i),(pmf_Y(i,j),j=1,pmf_M) - enddo - - ! Now mark that we have read the data - pmf_init = 1 - end subroutine read_pmf - - function pmf_ncomp() result(ncomp) - integer :: ncomp - ncomp = pmf_M - end function pmf_ncomp - - function pmf_npts() result(npts) - integer :: npts - npts = pmf_N - end function pmf_npts - - subroutine interp_pmf(xlo,xhi,y_vector,M_ret) - double precision xlo,xhi,y_vector(*) - double precision sum,xmid - integer i,j,k,lo_loside,lo_hiside - integer hi_loside,hi_hiside,loside,hiside - double precision ylo,yhi,x1,y1,x2,y2,dydx - integer M_ret - - M_ret = pmf_M - if (pmf_init .eq. 0) then - if (trim(pmf_filename) .eq. '') then - call bl_abort('must set pmf_filename prior to calling interp_pmf') - endif - call read_pmf() - endif - - if (pmf_do_average .eq.1) then - lo_loside = 0 - lo_hiside = 0 - hi_loside = 0 - hi_hiside = 0 - if (xlo .le. pmf_X(1)) then - lo_loside = 1 - lo_hiside = 1 - end if - if (xhi .le. pmf_X(1)) then - hi_loside = 1 - hi_hiside = 1 - end if - if (xlo .ge. pmf_X(pmf_N)) then - lo_loside = pmf_N - lo_hiside = pmf_N - end if - if (xhi .ge. pmf_X(pmf_N)) then - hi_loside = pmf_N - hi_hiside = pmf_N - end if - if (lo_loside.eq.0) then - do i = 1, pmf_N-1 - if ( (xlo .ge. pmf_X(i)) .and. & - (xlo .le. pmf_X(i+1)) ) then - lo_loside = i - lo_hiside = i+1 - end if - end do - end if - if (hi_loside.eq.0) then - do i = 1, pmf_N-1 - if ( (xhi .ge. pmf_X(i)) .and. & - (xhi .le. pmf_X(i+1)) ) then - hi_loside = i - hi_hiside = i + 1 - end if - end do - end if - - do j = 1, pmf_M - - x1 = pmf_X(lo_loside) - y1 = pmf_Y(lo_loside,j) - - x2 = pmf_X(lo_hiside) - y2 = pmf_Y(lo_hiside,j) - - if (lo_loside.eq.lo_hiside) then - dydx = 0.d0 - else - dydx = (y2-y1)/(x2-x1) - end if - - ylo = y1 + dydx*(xlo - x1) - - if (lo_loside .eq. hi_loside) then - - yhi = y1 + dydx*(xhi - x1) - - y_vector(j) = 0.5d0*(ylo + yhi) - - else - - sum = (x2 - xlo) * 0.5d0 * (ylo + y2) - - x1 = pmf_X(hi_loside) - y1 = pmf_Y(hi_loside,j) - - x2 = pmf_X(hi_hiside) - y2 = pmf_Y(hi_hiside,j) - - if (hi_loside.eq.hi_hiside) then - dydx = 0.d0 - else - dydx = (y2-y1)/(x2-x1) - end if - - yhi = y1 + dydx*(xhi - x1) - - sum = sum + (xhi - x1)*0.5d0*(yhi+y1) - - do k = lo_hiside,hi_loside-1 - - sum = sum + (pmf_X(k+1)-pmf_X(k)) * 0.5d0 & - * (pmf_Y(k,j) + pmf_Y(k+1,j)) - - end do - - y_vector(j) = sum / (xhi - xlo) - - end if - end do - else - xmid = 0.5d0*(xlo + xhi) - loside = 0 - hiside = 0 - if (xmid .le. pmf_X(1)) then - loside = 1 - hiside = 1 - end if - if (xmid .ge. pmf_X(pmf_N)) then - loside = pmf_N - hiside = pmf_N - end if - if (loside.eq.0) then - do i = 1, pmf_N-1 - if ( (xmid .ge. pmf_X(i)) .and. & - (xmid .le. pmf_X(i+1)) ) then - loside = i - hiside = i+1 - end if - end do - end if - - do j = 1, pmf_M - - x1 = pmf_X(loside) - y1 = pmf_Y(loside,j) - - x2 = pmf_X(hiside) - y2 = pmf_Y(hiside,j) - - if (loside.eq.hiside) then - dydx = 0.d0 - else - dydx = (y2-y1)/(x2-x1) - end if - - y_vector(j) = y1 + dydx*(xlo - x1) - end do - endif - end subroutine interp_pmf - -end module pmf_module - -subroutine initialize_pmf(filename) - use pmf_module - use network, only : nspecies - use chemistry_module, only : get_species_index - character (len=*) :: filename - integer :: n - pmf_filename = filename - call read_pmf() - if (pmf_ncomp() .ne. nspecies + 3) then - print *,'Number of dependent variables in file:',pmf_ncomp() - print *,'Number expected:',nspecies+3 - stop 'pmf data file not compatible with current chemistry model, wrong number of species' - endif - - if (pmf_names(1) .ne. "X") stop 'pmf data file not compatible with pmf data reader, X must be first variable' - if (pmf_names(2) .ne. "temp") stop 'pmf data file not compatible with pmf data reader, temp must be second variable' - if (pmf_names(3) .ne. "u") stop 'pmf data file not compatible with pmf data reader, u must be third variable' - do n=1,nspecies - if (n .ne. get_species_index(pmf_names(4+n))) then - stop 'pmf data file not compatible with current chemistry model, wrong species' - endif - enddo -end subroutine initialize_pmf - -subroutine pmf(xlo,xhi,y_vector,M) - use pmf_module - double precision :: xlo,xhi,y_vector(*) - integer :: M - call interp_pmf(xlo,xhi,y_vector,M) -end subroutine pmf - diff --git a/Build/probdata.f90 b/Build/probdata.f90 deleted file mode 100644 index 7f4ec33a1..000000000 --- a/Build/probdata.f90 +++ /dev/null @@ -1,106 +0,0 @@ -module probdata_module - - use eos_module - use pmf_module - - implicit none - - double precision, save :: pamb, phi_in, T_in, vn_in, L(3), pertmag - double precision, save, allocatable :: fuel_state(:) - logical, save :: bc_initialized = .false. - - ! These determine the refinement criteria - double precision, save :: denerr, dengrad - double precision, save :: velerr, velgrad - double precision, save :: presserr, pressgrad - double precision, save :: temperr, tempgrad - double precision, save :: vorterr, vortgrad - double precision, save :: tracerr - integer , save :: max_denerr_lev = -1 - integer , save :: max_dengrad_lev = -1 - integer , save :: max_velerr_lev = -1 - integer , save :: max_velgrad_lev = -1 - integer , save :: max_presserr_lev = -1 - integer , save :: max_pressgrad_lev = -1 - integer , save :: max_temperr_lev = -1 - integer , save :: max_tempgrad_lev = -1 - integer , save :: max_vorterr_lev = -1 - integer , save :: max_vortgrad_lev = -1 - integer , save :: max_tracerr_lev = -1 - -contains - - subroutine init_bc - - use meth_params_module, only : NVAR, URHO, UMX, UMY, UMZ, UEINT, UEDEN, UTEMP, UFS - use network, only : nspecies - use chemistry_module, only : get_species_index - use eos_type_module - - integer :: iN2, iO2, iH2, nPMF - double precision :: vt, ek, a, yl, yr, sumY - double precision, allocatable :: pmf_vals(:) - - type(eos_t) :: eos_state - - call build(eos_state) - allocate(pmf_vals(nspecies+3)) - - iN2 = get_species_index("N2") - iO2 = get_species_index("O2") - iH2 = get_species_index("H2") - - ! ----- Fuel ----- - if (phi_in .lt. 0) then - yl = 0.d0 - yr = 0.d0 ! FIXME: get plo into saved data somehow - call pmf(yl,yr,pmf_vals,nPMF) - eos_state % molefrac(1:nspecies) = MAX(0.d0,pmf_vals(4:3+nspecies)) - eos_state % molefrac(iN2) = 1.d0 - (sum(eos_state % molefrac(1:nspecies)) - eos_state % molefrac(iN2)) - eos_state % T = pmf_vals(1) - vn_in = pmf_vals(2) - else - a = 0.5d0 ! for H2-air - eos_state % molefrac = 0.d0 - eos_state % molefrac(iO2) = 1.d0/(1.d0 + phi_in/a + 0.79d0/0.21d0) - eos_state % molefrac(iH2) = phi_in * eos_state % molefrac(iO2) / a - eos_state % molefrac(iN2) = 1.d0 - eos_state % molefrac(iH2) - eos_state % molefrac(iO2) - eos_state % T = T_in - endif - eos_state % p = pamb - - call eos_xty(eos_state) ! get mass fractions from mole fractions - call eos_tp(eos_state) - - vt = vn_in - ek = 0.5d0*vt**2 - - if (allocated(fuel_state)) then - call bl_error('fuel_state already allocated') - endif - allocate(fuel_state(NVAR)) - - fuel_state(URHO ) = eos_state % rho - fuel_state(UMX ) = 0.d0 - fuel_state(UMY ) = eos_state % rho * vt - fuel_state(UMZ ) = 0.d0 - fuel_state(UEINT) = eos_state % rho * eos_state % e - fuel_state(UEDEN) = eos_state % rho * (eos_state % e + ek) - fuel_state(UTEMP) = eos_state % T - fuel_state(UFS:UFS+nspecies-1) = eos_state % rho * eos_state % massfrac(1:nspecies) - - bc_initialized = .true. - - call destroy(eos_state) - deallocate(pmf_vals) - - end subroutine init_bc - - - subroutine clear_bc() - - deallocate(fuel_state) - - end subroutine clear_bc - -end module probdata_module diff --git a/CMake/BuildPeleCExe.cmake b/CMake/BuildPeleCExe.cmake new file mode 100644 index 000000000..7dde078ba --- /dev/null +++ b/CMake/BuildPeleCExe.cmake @@ -0,0 +1,155 @@ +function(build_pelec_exe pelec_exe_name) + + set(PELE_PHYSICS_SRC_DIR ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics) + set(PELE_PHYSICS_BIN_DIR ${CMAKE_BINARY_DIR}/Submodules/PelePhysics/${pelec_exe_name}) + + set(SRC_DIR ${CMAKE_SOURCE_DIR}/SourceCpp) + set(BIN_DIR ${CMAKE_BINARY_DIR}/SourceCpp/${pelec_exe_name}) + + include(${CMAKE_SOURCE_DIR}/CMake/SetPeleCCompileFlags.cmake) + + add_subdirectory(${SRC_DIR}/Params ${BIN_DIR}/Params/${pelec_exe_name}) + + set(PELEC_TRANSPORT_DIR "${PELE_PHYSICS_SRC_DIR}/Transport/${PELEC_TRANSPORT_MODEL}") + target_sources(${pelec_exe_name} PRIVATE + ${PELEC_TRANSPORT_DIR}/Transport.H + ${PELEC_TRANSPORT_DIR}/Transport.cpp + ${PELEC_TRANSPORT_DIR}/TransportParams.cpp + ${PELEC_TRANSPORT_DIR}/TransportParams.H) + target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${PELEC_TRANSPORT_DIR}) + + set(PELEC_EOS_DIR "${PELE_PHYSICS_SRC_DIR}/Eos/${PELEC_EOS_MODEL}") + target_sources(${pelec_exe_name} PRIVATE + ${PELEC_EOS_DIR}/EOS.cpp + ${PELEC_EOS_DIR}/EOS.H) + target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${PELEC_EOS_DIR}) + + set(PELEC_MECHANISM_DIR "${PELE_PHYSICS_SRC_DIR}/Support/Fuego/Mechanism/Models/${PELEC_CHEMISTRY_MODEL}") + target_sources(${pelec_exe_name} PRIVATE + ${PELEC_MECHANISM_DIR}/chemistry_file.H + ${PELEC_MECHANISM_DIR}/mechanism.cpp + ${PELEC_MECHANISM_DIR}/mechanism.h) + target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${PELEC_MECHANISM_DIR}) + + if(PELEC_ENABLE_REACTIONS) + target_compile_definitions(${pelec_exe_name} PRIVATE PELEC_USE_REACTIONS) + target_sources(${pelec_exe_name} PRIVATE + ${SRC_DIR}/React.H + ${SRC_DIR}/React.cpp) + target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${PELE_PHYSICS_SRC_DIR}/Support/Fuego/Evaluation) + endif() + + if(PELEC_ENABLE_MASA) + target_sources(${pelec_exe_name} PRIVATE + ${SRC_DIR}/MMS.cpp) + target_compile_definitions(${pelec_exe_name} PRIVATE PELEC_USE_MASA) + endif() + + if(PELEC_ENABLE_EB) + target_compile_definitions(${pelec_exe_name} PRIVATE PELEC_USE_EB) + target_sources(${pelec_exe_name} + PRIVATE + ${SRC_DIR}/EB.H + ${SRC_DIR}/EB.cpp + ${SRC_DIR}/InitEB.cpp + ${SRC_DIR}/SparseData.H + ${SRC_DIR}/EBStencilTypes.H) + endif() + + target_sources(${pelec_exe_name} + PRIVATE + ${SRC_DIR}/Advance.cpp + ${SRC_DIR}/BCfill.cpp + ${SRC_DIR}/Bld.cpp + ${SRC_DIR}/Constants.H + ${SRC_DIR}/Derive.H + ${SRC_DIR}/Derive.cpp + ${SRC_DIR}/Diffterm.H + ${SRC_DIR}/Diffterm.cpp + ${SRC_DIR}/Diffusion.H + ${SRC_DIR}/Diffusion.cpp + ${SRC_DIR}/External.cpp + ${SRC_DIR}/Filter.H + ${SRC_DIR}/Filter.cpp + ${SRC_DIR}/Forcing.H + ${SRC_DIR}/Forcing.cpp + ${SRC_DIR}/GradUtil.H + ${SRC_DIR}/GradUtil.cpp + ${SRC_DIR}/Hydro.H + ${SRC_DIR}/Hydro.cpp + ${SRC_DIR}/IndexDefines.H + ${SRC_DIR}/IndexDefines.cpp + ${SRC_DIR}/IO.H + ${SRC_DIR}/IO.cpp + ${SRC_DIR}/LES.H + ${SRC_DIR}/LES.cpp + ${SRC_DIR}/MOL.H + ${SRC_DIR}/MOL.cpp + ${SRC_DIR}/Particle.cpp + ${SRC_DIR}/PeleC.H + ${SRC_DIR}/PeleC.cpp + ${SRC_DIR}/PLM.H + ${SRC_DIR}/PLM.cpp + ${SRC_DIR}/Problem.H + ${SRC_DIR}/ProblemDerive.H + ${SRC_DIR}/Riemann.H + ${SRC_DIR}/Setup.cpp + ${SRC_DIR}/Sources.cpp + ${SRC_DIR}/SumIQ.cpp + ${SRC_DIR}/SumUtils.cpp + ${SRC_DIR}/Tagging.H + ${SRC_DIR}/Tagging.cpp + ${SRC_DIR}/Timestep.H + ${SRC_DIR}/Timestep.cpp + ${SRC_DIR}/Utilities.H + ${SRC_DIR}/Utilities.cpp + ) + + if(NOT "${pelec_exe_name}" STREQUAL "pelec_unit_tests") + target_sources(${pelec_exe_name} + PRIVATE + ${SRC_DIR}/main.cpp + ) + endif() + + include(AMReXBuildInfo) + generate_buildinfo(${pelec_exe_name} ${CMAKE_SOURCE_DIR}) + target_include_directories(${pelec_exe_name} PUBLIC ${AMREX_SUBMOD_LOCATION}/Tools/C_scripts) + + if(PELEC_ENABLE_MASA) + if(MASA_FOUND) + #Link our executable to the MASA libraries, etc + target_link_libraries(${pelec_exe_name} PRIVATE ${MASA_LIBRARY}) + target_compile_definitions(${pelec_exe_name} PRIVATE USE_MASA DO_PROBLEM_POST_TIMESTEP DO_PROBLEM_POST_INIT) + target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${MASA_INCLUDE_DIRS}) + target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${MASA_MOD_DIRS}) + endif() + endif() + + if(PELEC_ENABLE_MPI) + target_link_libraries(${pelec_exe_name} PUBLIC $<$:MPI::MPI_CXX>) + endif() + + #PeleC include directories + target_include_directories(${pelec_exe_name} PRIVATE ${SRC_DIR}) + target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_BINARY_DIR}) + + #Link to amrex library + target_link_libraries(${pelec_exe_name} PRIVATE amrex) + + if(PELEC_ENABLE_CUDA) + set(pctargets "${pelec_exe_name}") + foreach(tgt IN LISTS pctargets) + get_target_property(PELEC_SOURCES ${tgt} SOURCES) + list(FILTER PELEC_SOURCES INCLUDE REGEX "\\.cpp") + set_source_files_properties(${PELEC_SOURCES} PROPERTIES LANGUAGE CUDA) + endforeach() + endif() + + #Define what we want to be installed during a make install + install(TARGETS ${pelec_exe_name} + RUNTIME DESTINATION bin + ARCHIVE DESTINATION lib + LIBRARY DESTINATION lib) + +endfunction() diff --git a/CMake/SetAmrexCompileFlags.cmake b/CMake/SetAmrexCompileFlags.cmake new file mode 100644 index 000000000..c384ee9c0 --- /dev/null +++ b/CMake/SetAmrexCompileFlags.cmake @@ -0,0 +1,8 @@ +# Disable loop not vectorized warnings on Clang. This generates a lot of +# diagnostic messages when compiling AMReX that we can't do anything about +# within amr-wind +if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Clang" OR + ${CMAKE_CXX_COMPILER_ID} STREQUAL "AppleClang") + target_compile_options( + amrex PUBLIC $<$:-Wno-pass-failed>) +endif() diff --git a/CMake/SetAmrexOptions.cmake b/CMake/SetAmrexOptions.cmake new file mode 100644 index 000000000..15aa892eb --- /dev/null +++ b/CMake/SetAmrexOptions.cmake @@ -0,0 +1,28 @@ +#Set amrex options +set(USE_XSDK_DEFAULTS OFF) +set(DIM "${PELEC_DIM}" CACHE STRING "Number of physical dimensions" FORCE) +set(ENABLE_PIC OFF) +set(ENABLE_MPI ${PELEC_ENABLE_MPI}) +set(ENABLE_OMP ${PELEC_ENABLE_OPENMP}) +set(ENABLE_DP ON) +set(ENABLE_EB ${PELEC_ENABLE_AMREX_EB}) +set(ENABLE_FORTRAN_INTERFACES OFF) +set(ENABLE_LINEAR_SOLVERS OFF) +set(ENABLE_AMRDATA OFF) +set(ENABLE_PARTICLES ${PELEC_ENABLE_PARTICLES}) +set(ENABLE_SENSEI_INSITU OFF) +set(ENABLE_CONDUIT OFF) +set(ENABLE_SUNDIALS OFF) +set(ENABLE_FPE OFF) +set(ENABLE_ASSERTIONS OFF) +set(ENABLE_BASE_PROFILE OFF) +set(ENABLE_TINY_PROFILE OFF) +set(ENABLE_TRACE_PROFILE OFF) +set(ENABLE_MEM_PROFILE OFF) +set(ENABLE_COMM_PROFILE OFF) +set(ENABLE_BACKTRACE OFF) +set(ENABLE_PROFPARSER OFF) +set(ENABLE_CUDA ${PELEC_ENABLE_CUDA}) +set(ENABLE_ACC OFF) +set(ENABLE_PLOTFILE_TOOLS ${PELEC_ENABLE_FCOMPARE}) +#set(ENABLE_FORTRAN OFF) diff --git a/CMake/SetPeleCCompileFlags.cmake b/CMake/SetPeleCCompileFlags.cmake new file mode 100644 index 000000000..fdbb52720 --- /dev/null +++ b/CMake/SetPeleCCompileFlags.cmake @@ -0,0 +1,38 @@ +# Logic for handling warnings +if(PELEC_ENABLE_ALL_WARNINGS) + # GCC, Clang, and Intel seem to accept these + list(APPEND PELEC_CXX_FLAGS "-Wall" "-Wextra" "-pedantic") + if(NOT "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Intel") + # ifort doesn't like -Wall + list(APPEND PELEC_Fortran_FLAGS "-Wall") + else() + # Intel always reports some diagnostics we don't necessarily care about + list(APPEND PELEC_CXX_FLAGS "-diag-disable:11074,11076") + endif() + if("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU" AND CMAKE_CXX_COMPILER_VERSION VERSION_GREATER_EQUAL 7.0) + # Avoid notes about -faligned-new with GCC > 7 + list(APPEND PELEC_CXX_FLAGS "-faligned-new") + endif() +endif() + +# Add our extra flags according to language +separate_arguments(PELEC_CXX_FLAGS) +target_compile_options(${pelec_exe_name} PRIVATE $<$:${PELEC_CXX_FLAGS}>) + +if(PELEC_ENABLE_CUDA) + list(APPEND PELEC_CUDA_FLAGS "--expt-relaxed-constexpr") + list(APPEND PELEC_CUDA_FLAGS "--expt-extended-lambda") + list(APPEND PELEC_CUDA_FLAGS "--Wno-deprecated-gpu-targets") + list(APPEND PELEC_CUDA_FLAGS "-m64") + if(ENABLE_CUDA_FASTMATH) + list(APPEND PELEC_CUDA_FLAGS "--use_fast_math") + endif() + separate_arguments(PELEC_CUDA_FLAGS) + target_compile_options(${pelec_exe_name} PRIVATE $<$:${PELEC_CUDA_FLAGS}>) + # Add arch flags to both compile and linker to avoid warnings about missing arch + set(CMAKE_CUDA_FLAGS ${NVCC_ARCH_FLAGS}) + set_target_properties( + ${pelec_exe_name} PROPERTIES + CUDA_SEPARABLE_COMPILATION ON + CUDA_RESOLVE_DEVICE_SYMBOLS OFF) +endif() diff --git a/CMake/SetRpath.cmake b/CMake/SetRpath.cmake new file mode 100644 index 000000000..7392f28be --- /dev/null +++ b/CMake/SetRpath.cmake @@ -0,0 +1,16 @@ +# Use, i.e. don't skip the full RPATH for the build tree +SET(CMAKE_SKIP_BUILD_RPATH FALSE) + +# When building, don't use the install RPATH already (but later on when installing) +SET(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE) +SET(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib") + +# Add the automatically determined parts of the RPATH +# which point to directories outside the build tree to the install RPATH +SET(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE) + +# The RPATH to be used when installing, but only if it's not a system directory +LIST(FIND CMAKE_PLATFORM_IMPLICIT_LINK_DIRECTORIES "${CMAKE_INSTALL_PREFIX}/lib" isSystemDir) +IF("${isSystemDir}" STREQUAL "-1") + SET(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib") +ENDIF("${isSystemDir}" STREQUAL "-1") diff --git a/CMake/add_source_function.cmake b/CMake/add_source_function.cmake deleted file mode 100644 index d235d05d7..000000000 --- a/CMake/add_source_function.cmake +++ /dev/null @@ -1,11 +0,0 @@ -# Function for aggregating source files from source subdirectories into a global scope property -function(add_sources target_list) - foreach(_source IN ITEMS ${ARGN}) - if (IS_ABSOLUTE "${_source}") - set(_source_abs "${_source}") - else() - get_filename_component(_source_abs "${_source}" ABSOLUTE) - endif() - set_property(GLOBAL APPEND PROPERTY "${target_list}" "${_source_abs}") - endforeach() -endfunction(add_sources) diff --git a/CMake/amrex_sources.cmake b/CMake/amrex_sources.cmake deleted file mode 100644 index 28f0ca026..000000000 --- a/CMake/amrex_sources.cmake +++ /dev/null @@ -1,297 +0,0 @@ -function(get_amrex_sources) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Amr") - add_sources(GlobalSourceList - ${AMREX_SOURCE_DIR}/AMReX_Amr.cpp - ${AMREX_SOURCE_DIR}/AMReX_AmrLevel.cpp - ${AMREX_SOURCE_DIR}/AMReX_Derive.cpp - ${AMREX_SOURCE_DIR}/AMReX_StateData.cpp - ${AMREX_SOURCE_DIR}/AMReX_StateDescriptor.cpp - ${AMREX_SOURCE_DIR}/AMReX_AuxBoundaryData.cpp - ${AMREX_SOURCE_DIR}/AMReX_Extrapolater.cpp - ${AMREX_SOURCE_DIR}/AMReX_extrapolater_${AMREX_DIM}d.f90 - ) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/AmrCore") - add_sources(GlobalSourceList - ${AMREX_SOURCE_DIR}/AMReX_AmrCore.cpp - ${AMREX_SOURCE_DIR}/AMReX_Cluster.cpp - ${AMREX_SOURCE_DIR}/AMReX_ErrorList.cpp - ${AMREX_SOURCE_DIR}/AMReX_FillPatchUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_FluxRegister.cpp - ${AMREX_SOURCE_DIR}/AMReX_Interpolater.cpp - ${AMREX_SOURCE_DIR}/AMReX_TagBox.cpp - ${AMREX_SOURCE_DIR}/AMReX_AmrMesh.cpp - ${AMREX_SOURCE_DIR}/AMReX_FLUXREG_nd.F90 - ${AMREX_SOURCE_DIR}/AMReX_INTERP_${AMREX_DIM}D.F90 - ${AMREX_SOURCE_DIR}/AMReX_FillPatchUtil_${AMREX_DIM}d.F90 - ) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Base") - add_sources(GlobalSourceList - ${AMREX_SOURCE_DIR}/AMReX_ccse-mpi.H - ${AMREX_SOURCE_DIR}/AMReX_Array.H - ${AMREX_SOURCE_DIR}/AMReX_Vector.H - ${AMREX_SOURCE_DIR}/AMReX_Tuple.H - ${AMREX_SOURCE_DIR}/AMReX.cpp - ${AMREX_SOURCE_DIR}/AMReX_error_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX.H - ${AMREX_SOURCE_DIR}/AMReX_Exception.H - ${AMREX_SOURCE_DIR}/AMReX.cpp - ${AMREX_SOURCE_DIR}/AMReX_error_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_Extension.H - ${AMREX_SOURCE_DIR}/AMReX_IndexSequence.H - ${AMREX_SOURCE_DIR}/AMReX_ParmParse.cpp - ${AMREX_SOURCE_DIR}/AMReX_parmparse_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_ParmParse.H - ${AMREX_SOURCE_DIR}/AMReX_Utility.H - ${AMREX_SOURCE_DIR}/AMReX_Utility.cpp - ${AMREX_SOURCE_DIR}/AMReX_BLassert.H - ${AMREX_SOURCE_DIR}/AMReX_ArrayLim.H - ${AMREX_SOURCE_DIR}/AMReX_REAL.H - ${AMREX_SOURCE_DIR}/AMReX_CONSTANTS.H - ${AMREX_SOURCE_DIR}/AMReX_SPACE.H - ${AMREX_SOURCE_DIR}/AMReX_Random.cpp - ${AMREX_SOURCE_DIR}/AMReX_DistributionMapping.H - ${AMREX_SOURCE_DIR}/AMReX_DistributionMapping.cpp - ${AMREX_SOURCE_DIR}/AMReX_ParallelDescriptor.H - ${AMREX_SOURCE_DIR}/AMReX_ParallelDescriptor.cpp - ${AMREX_SOURCE_DIR}/AMReX_ParallelReduce.H - ${AMREX_SOURCE_DIR}/AMReX_ForkJoin.H - ${AMREX_SOURCE_DIR}/AMReX_ForkJoin.cpp - ${AMREX_SOURCE_DIR}/AMReX_ParallelContext.H - ${AMREX_SOURCE_DIR}/AMReX_ParallelContext.cpp - ${AMREX_SOURCE_DIR}/AMReX_VisMF.H - ${AMREX_SOURCE_DIR}/AMReX_VisMF.cpp - ${AMREX_SOURCE_DIR}/AMReX_Arena.H - ${AMREX_SOURCE_DIR}/AMReX_Arena.cpp - ${AMREX_SOURCE_DIR}/AMReX_BArena.H - ${AMREX_SOURCE_DIR}/AMReX_BArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_CArena.H - ${AMREX_SOURCE_DIR}/AMReX_CArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_DArena.H - ${AMREX_SOURCE_DIR}/AMReX_DArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_EArena.H - ${AMREX_SOURCE_DIR}/AMReX_EArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_BLProfiler.H - ${AMREX_SOURCE_DIR}/AMReX_BLBackTrace.H - ${AMREX_SOURCE_DIR}/AMReX_BLFort.H - ${AMREX_SOURCE_DIR}/AMReX_NFiles.H - ${AMREX_SOURCE_DIR}/AMReX_NFiles.cpp - ${AMREX_SOURCE_DIR}/AMReX_parstream.H - ${AMREX_SOURCE_DIR}/AMReX_parstream.cpp - ${AMREX_SOURCE_DIR}/AMReX_FabConv.H - ${AMREX_SOURCE_DIR}/AMReX_FabConv.cpp - ${AMREX_SOURCE_DIR}/AMReX_FPC.H - ${AMREX_SOURCE_DIR}/AMReX_FPC.cpp - ${AMREX_SOURCE_DIR}/AMReX_VectorIO.H - ${AMREX_SOURCE_DIR}/AMReX_VectorIO.cpp - ${AMREX_SOURCE_DIR}/AMReX_Print.H - ${AMREX_SOURCE_DIR}/AMReX_IntConv.H - ${AMREX_SOURCE_DIR}/AMReX_IntConv.cpp - ${AMREX_SOURCE_DIR}/AMReX_Box.H - ${AMREX_SOURCE_DIR}/AMReX_Box.cpp - 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${AMREX_SOURCE_DIR}/AMReX_BaseFab.H - ${AMREX_SOURCE_DIR}/AMReX_BaseFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_Array4.H - ${AMREX_SOURCE_DIR}/AMReX_MakeType.H - ${AMREX_SOURCE_DIR}/AMReX_TypeTraits.H - ${AMREX_SOURCE_DIR}/AMReX_FabFactory.H - ${AMREX_SOURCE_DIR}/AMReX_BaseFabUtility.H - ${AMREX_SOURCE_DIR}/AMReX_MultiFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_MultiFab.H - ${AMREX_SOURCE_DIR}/AMReX_MFCopyDescriptor.cpp - ${AMREX_SOURCE_DIR}/AMReX_MFCopyDescriptor.H - ${AMREX_SOURCE_DIR}/AMReX_iMultiFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_iMultiFab.H - ${AMREX_SOURCE_DIR}/AMReX_FabArrayBase.cpp - ${AMREX_SOURCE_DIR}/AMReX_FabArrayBase.H - ${AMREX_SOURCE_DIR}/AMReX_MFIter.cpp - ${AMREX_SOURCE_DIR}/AMReX_MFIter.H - ${AMREX_SOURCE_DIR}/AMReX_FabArray.H - ${AMREX_SOURCE_DIR}/AMReX_FACopyDescriptor.H - ${AMREX_SOURCE_DIR}/AMReX_FabArrayCommI.H - ${AMREX_SOURCE_DIR}/AMReX_FabArrayUtility.H - ${AMREX_SOURCE_DIR}/AMReX_LayoutData.H - ${AMREX_SOURCE_DIR}/AMReX_CoordSys.cpp - ${AMREX_SOURCE_DIR}/AMReX_CoordSys.H - ${AMREX_SOURCE_DIR}/AMReX_Geometry.cpp - ${AMREX_SOURCE_DIR}/AMReX_Geometry.H - ${AMREX_SOURCE_DIR}/AMReX_MultiFabUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_MultiFabUtil.H - ${AMREX_SOURCE_DIR}/AMReX_BCRec.cpp - ${AMREX_SOURCE_DIR}/AMReX_BCRec.H - ${AMREX_SOURCE_DIR}/AMReX_PhysBCFunct.cpp - ${AMREX_SOURCE_DIR}/AMReX_PhysBCFunct.H - ${AMREX_SOURCE_DIR}/AMReX_BCUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_BCUtil.H - ${AMREX_SOURCE_DIR}/AMReX_BC_TYPES.H - ${AMREX_SOURCE_DIR}/AMReX_PlotFileUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_PlotFileUtil.H - ${AMREX_SOURCE_DIR}/AMReX_PlotFileDataImpl.H - ${AMREX_SOURCE_DIR}/AMReX_PlotFileDataImpl.cpp - ${AMREX_SOURCE_DIR}/AMReX_COORDSYS_${AMREX_DIM}D_C.H - ${AMREX_SOURCE_DIR}/AMReX_COORDSYS_C.H - ${AMREX_SOURCE_DIR}/AMReX_filcc_f.H - ${AMREX_SOURCE_DIR}/AMReX_BLutil_F.F90 - ${AMREX_SOURCE_DIR}/AMReX_BLProfiler_F.F90 - ${AMREX_SOURCE_DIR}/AMReX_FILCC_${AMREX_DIM}D.F90 - ${AMREX_SOURCE_DIR}/AMReX_MultiFabUtil_${AMREX_DIM}D_C.H - ${AMREX_SOURCE_DIR}/AMReX_MultiFabUtil_nd_C.H - ${AMREX_SOURCE_DIR}/AMReX_MultiFabUtil_C.H - ${AMREX_SOURCE_DIR}/AMReX_FilCC_${AMREX_DIM}D_C.H - ${AMREX_SOURCE_DIR}/AMReX_FilCC_C.H - ${AMREX_SOURCE_DIR}/AMReX_filcc_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_omp_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_acc_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_fort_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_constants_mod.f90 - ${AMREX_SOURCE_DIR}/AMReX_error_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_parmparse_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_string_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_bc_types_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_ParallelDescriptor_F.F90 - ${AMREX_SOURCE_DIR}/AMReX_io_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_Gpu.H - ${AMREX_SOURCE_DIR}/AMReX_GpuQualifiers.H - ${AMREX_SOURCE_DIR}/AMReX_GpuControl.H - ${AMREX_SOURCE_DIR}/AMReX_GpuControl.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuLaunch.H - ${AMREX_SOURCE_DIR}/AMReX_GpuLaunch.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuLaunchMacrosG.H - ${AMREX_SOURCE_DIR}/AMReX_GpuLaunchMacrosC.H - ${AMREX_SOURCE_DIR}/AMReX_GpuLaunchFunctsG.H - ${AMREX_SOURCE_DIR}/AMReX_GpuLaunchFunctsC.H - ${AMREX_SOURCE_DIR}/AMReX_GpuError.H - ${AMREX_SOURCE_DIR}/AMReX_GpuDevice.H - ${AMREX_SOURCE_DIR}/AMReX_GpuDevice.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuUtility.H - ${AMREX_SOURCE_DIR}/AMReX_GpuUtility.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuAsyncArray.H - ${AMREX_SOURCE_DIR}/AMReX_GpuAsyncArray.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuElixir.H - ${AMREX_SOURCE_DIR}/AMReX_GpuElixir.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuMemory.H - ${AMREX_SOURCE_DIR}/AMReX_GpuRange.H - ${AMREX_SOURCE_DIR}/AMReX_GpuReduce.H - ${AMREX_SOURCE_DIR}/AMReX_CudaAllocators.H - ${AMREX_SOURCE_DIR}/AMReX_CudaAllocators.cpp - ${AMREX_SOURCE_DIR}/AMReX_CudaAllocators.H - ${AMREX_SOURCE_DIR}/AMReX_CudaContainers.H - ${AMREX_SOURCE_DIR}/AMReX_CudaGraph.H - ${AMREX_SOURCE_DIR}/AMReX_Machine.H - ${AMREX_SOURCE_DIR}/AMReX_Machine.cpp - ${AMREX_SOURCE_DIR}/AMReX_MemPool.cpp - ${AMREX_SOURCE_DIR}/AMReX_MemPool.H - ${AMREX_SOURCE_DIR}/AMReX_mempool_mod.F90 # if BL_NO_FORT = FALSE - ${AMREX_SOURCE_DIR}/AMReX_BLProfiler.cpp - ${AMREX_SOURCE_DIR}/AMReX_BLBackTrace.cpp - ) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/F_Interfaces/AmrCore") - add_sources(GlobalSourceList - ${AMREX_SOURCE_DIR}/AMReX_FAmrCore.cpp - ${AMREX_SOURCE_DIR}/AMReX_amr_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_amrcore_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_amrcore_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_fillpatch_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_fillpatch_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_fluxregister_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_fluxregister_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_interpolater_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_tagbox_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_tagbox_mod.F90 - ) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/F_Interfaces/Base") - add_sources(GlobalSourceList - ${AMREX_SOURCE_DIR}/AMReX_FPhysBC.cpp - ${AMREX_SOURCE_DIR}/AMReX_base_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_box_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_box_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_boxarray_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_boxarray_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_distromap_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_distromap_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_fab_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_geometry_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_geometry_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_init_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_init_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_multifab_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_multifab_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_multifabutil_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_multifabutil_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_parallel_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_physbc_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_physbc_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_plotfile_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_plotfile_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_vismf_fi.cpp - ) - if(AMREX_ENABLE_EB) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/EB") - add_sources(GlobalSourceList - ${AMREX_SOURCE_DIR}/AMReX_EBAmrUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBDataCollection.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBFArrayBox.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBInterpolater.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBCellFlag.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBFabFactory.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBFluxRegister.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBMultiFabUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_MultiCutFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_EB_levelset.cpp - ${AMREX_SOURCE_DIR}/AMReX_EB_utils.cpp - ${AMREX_SOURCE_DIR}/AMReX_EB_LSCoreBase.cpp - ${AMREX_SOURCE_DIR}/AMReX_EBFluxRegister_nd.F90 - ${AMREX_SOURCE_DIR}/AMReX_ebcellflag_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_compute_normals.F90 - ${AMREX_SOURCE_DIR}/AMReX_eb_to_pvd.F90 - ${AMREX_SOURCE_DIR}/AMReX_EB_geometry.F90 - ${AMREX_SOURCE_DIR}/AMReX_EB_levelset_F.F90 - ${AMREX_SOURCE_DIR}/AMReX_EB_Tagging.F90 - ${AMREX_SOURCE_DIR}/AMReX_EB_bc_fill_nd.F90 - ${AMREX_SOURCE_DIR}/AMReX_distFcnElement.cpp - ${AMREX_SOURCE_DIR}/AMReX_EB2.cpp - ${AMREX_SOURCE_DIR}/AMReX_EB2_Level.cpp - ${AMREX_SOURCE_DIR}/AMReX_EB2_MultiGFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_EB2_${AMREX_DIM}D_C.cpp - ${AMREX_SOURCE_DIR}/AMReX_algoim.cpp - ${AMREX_SOURCE_DIR}/AMReX_WriteEBSurface.cpp - ) - endif() - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Boundary") - add_sources(GlobalSourceList - ${AMREX_SOURCE_DIR}/AMReX_BndryData.cpp - ${AMREX_SOURCE_DIR}/AMReX_BndryRegister.cpp - ${AMREX_SOURCE_DIR}/AMReX_FabSet.cpp - ${AMREX_SOURCE_DIR}/AMReX_InterpBndryData.cpp - ${AMREX_SOURCE_DIR}/AMReX_LO_UTIL.F90 - ${AMREX_SOURCE_DIR}/AMReX_MacBndry.cpp - ${AMREX_SOURCE_DIR}/AMReX_Mask.cpp - ${AMREX_SOURCE_DIR}/AMReX_MultiMask.cpp - ${AMREX_SOURCE_DIR}/AMReX_YAFluxRegister.cpp - ${AMREX_SOURCE_DIR}/AMReX_lo_bctypes_mod.F90 - ) -endfunction(get_amrex_sources) diff --git a/CMake/build_amrex.cmake b/CMake/build_amrex.cmake deleted file mode 100644 index c3814bca5..000000000 --- a/CMake/build_amrex.cmake +++ /dev/null @@ -1,101 +0,0 @@ -function(build_amrex_library AMREX_DIM AMREX_ENABLE_EB) - # Set library suffixes for EB enabled - if(AMREX_ENABLE_EB) - set(EB "eb") - else() - unset(EB) - endif() - - #Expose functions we want to be able to call - include(${CMAKE_SOURCE_DIR}/CMake/add_source_function.cmake) - include(${CMAKE_SOURCE_DIR}/CMake/amrex_sources.cmake) - - #Clear source file list from any previous executables - set_property(GLOBAL PROPERTY GlobalSourceList "") - - #Aggregate amrex and pelephysics source files - get_amrex_sources() - - #Put source list from global property into local list - get_property(AMREX_SOURCES GLOBAL PROPERTY GlobalSourceList) - - #Create an executable based on all the source files we aggregated - add_library(amrex${AMREX_DIM}d${EB} ${AMREX_SOURCES}) - - #AMReX definitions - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE BL_SPACEDIM=${AMREX_DIM}) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE BL_FORT_USE_UNDERSCORE) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE BL_USE_F_BASELIB) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE AMREX_SPACEDIM=${AMREX_DIM}) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE AMREX_FORT_USE_UNDERSCORE) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE AMREX_USE_F_BASELIB) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE $<$:BL_LANG_FORT>) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE $<$:AMREX_LANG_FORT>) - - # CMake BUILD_TYPE should already define this for us - #if(${CMAKE_BUILD_TYPE} MATCHES "Release") - # target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE NDEBUG) - #endif() - - if(${CMAKE_SYSTEM_NAME} MATCHES "Darwin") - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE BL_Darwin) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE AMREX_Darwin) - endif() - - #PeleC definitions - if(AMREX_ENABLE_EB) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE AMREX_USE_EB) - endif() - - #AMReX include directories - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Base) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Amr) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/AmrCore) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Base) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/F_Interfaces/AmrCore) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Boundary) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Tools/C_scripts) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/F_Interfaces/Base) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_BINARY_DIR}/fortran_modules/amrex${AMREX_DIM}d${EB}_fortran_modules) - if(AMREX_ENABLE_EB) - target_include_directories(amrex${AMREX_DIM}d${EB} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/EB) - endif() - - #Link our executable to the MPI libraries, etc - if(PELEC_ENABLE_MPI) - target_link_libraries(amrex${AMREX_DIM}d${EB} PRIVATE MPI::MPI_CXX MPI::MPI_C MPI::MPI_Fortran) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE BL_USE_MPI) - target_compile_definitions(amrex${AMREX_DIM}d${EB} PRIVATE AMREX_USE_MPI) - endif() - - target_link_libraries(amrex${AMREX_DIM}d${EB} PRIVATE Threads::Threads) - - #Keep our Fortran module files confined to a unique directory for each executable - set_target_properties(amrex${AMREX_DIM}d${EB} PROPERTIES Fortran_MODULE_DIRECTORY - "${CMAKE_BINARY_DIR}/fortran_modules/amrex${AMREX_DIM}d${EB}_fortran_modules") - - #Define what we want to be installed during a make install - install(TARGETS amrex${AMREX_DIM}d${EB} - RUNTIME DESTINATION bin - ARCHIVE DESTINATION lib - LIBRARY DESTINATION lib) -endfunction(build_amrex_library AMREX_DIM AMREX_ENABLE_EB) - -function(build_amrex) - if(ENABLE_TESTS) - # Build all libraries if testing is enabled - foreach(AMREX_ENABLE_EB IN ITEMS TRUE FALSE) - foreach(AMREX_DIM IN ITEMS 1 2 3) - if(${AMREX_DIM} EQUAL 1 AND AMREX_ENABLE_EB) - continue() - endif() - build_amrex_library(${AMREX_DIM} ${AMREX_ENABLE_EB}) - endforeach() - endforeach() - else() - # Otherwise only build the necessary library for the exe - set(AMREX_ENABLE_EB ${PELEC_ENABLE_EB}) - set(AMREX_DIM ${PELEC_DIM}) - build_amrex_library(${AMREX_DIM} ${AMREX_ENABLE_EB}) - endif() -endfunction(build_amrex) diff --git a/CMake/build_pelec.cmake b/CMake/build_pelec.cmake deleted file mode 100644 index 58ab0fd40..000000000 --- a/CMake/build_pelec.cmake +++ /dev/null @@ -1,227 +0,0 @@ -function(build_pelec pelec_exe_name pelec_exe_options_file) - - unset(PELEC_EXTRA_SOURCES) - unset(PELEC_DIM) - unset(PELEC_ENABLE_EB) - unset(PELEC_ENABLE_MASA) - unset(PELEC_ENABLE_REACTIONS) - unset(PELEC_ENABLE_MOL) - unset(PELEC_ENABLE_PARTICLES) - unset(PELEC_EOS_MODEL) - unset(PELEC_REACTIONS_MODEL) - unset(PELEC_CHEMISTRY_MODEL) - unset(PELEC_TRANSPORT_MODEL) - - get_filename_component(exe_directory ${pelec_exe_options_file} DIRECTORY) - include(${pelec_exe_options_file}) - - #message("-- PELEC_DIM = ${PELEC_DIM}D") - - if(PELEC_ENABLE_EB) - set(EB "eb") - else() - unset(EB) - endif() - - #Expose functions we want to be able to call - include(${CMAKE_SOURCE_DIR}/CMake/add_source_function.cmake) - include(${CMAKE_SOURCE_DIR}/CMake/pelephysics_sources.cmake) - include(${CMAKE_SOURCE_DIR}/CMake/pelec_sources.cmake) - - #Clear source file list from any previous executables - set_property(GLOBAL PROPERTY GlobalSourceList "") - - #Check for incompatiblities - if((${PELEC_DIM} GREATER 3) OR (${PELEC_DIM} LESS 1)) - message(FATAL_ERROR "PELEC_DIM must be either 1, 2 or 3.") - endif() - - if(PELEC_ENABLE_MOL AND NOT PELEC_ENABLE_EB) - message(FATAL_ERROR "PELEC_ENABLE_MOL does not work without PELEC_ENABLE_EB") - endif() - - if(${PELEC_DIM} EQUAL 1 AND PELEC_ENABLE_MOL) - message(FATAL_ERROR "PELEC_ENABLE_MOL does not work with PELEC_DIM=1") - endif() - - if(${PELEC_DIM} EQUAL 1 AND PELEC_ENABLE_EB) - message(FATAL_ERROR "PELEC_ENABLE_EB does not work with PELEC_DIM=1") - endif() - - if("${PELEC_TRANSPORT_MODEL}" STREQUAL "EGLib") - set(USE_FUEGO ON) - endif() - - if("${PELEC_EOS_MODEL}" STREQUAL "Fuego") - set(PELEC_TRANSPORT_TYPE "IDEAL_GAS") - elseif("${PELEC_EOS_MODEL}" STREQUAL "GammaLaw") - set(PELEC_TRANSPORT_TYPE "IDEAL_GAS") - else() - set(PELEC_TRANSPORT_TYPE "REAL_GAS") - endif() - - #Aggregate amrex and pelephysics source files - get_pelephysics_sources() - get_pelec_sources(${pelec_exe_name}) - - #Put source list from global property into local list - get_property(PELE_SOURCES GLOBAL PROPERTY GlobalSourceList) - - #Create the full path to the extra case-specific source files - #Each PELEC_EXTRA_SOURCE must be an explicit path to each source file at the moment - foreach(PELEC_EXTRA_SOURCE ${PELEC_EXTRA_SOURCES}) - list(APPEND MY_EXTRA_SOURCES ${PELEC_EXTRA_SOURCE}) - endforeach() - - #Create an executable based on all the source files we aggregated - add_executable(${pelec_exe_name} ${PELE_SOURCES} ${MY_EXTRA_SOURCES}) - target_link_libraries(${pelec_exe_name} PRIVATE amrex${PELEC_DIM}d${EB}) - - #AMReX definitions - target_compile_definitions(${pelec_exe_name} PRIVATE BL_SPACEDIM=${PELEC_DIM}) - target_compile_definitions(${pelec_exe_name} PRIVATE BL_FORT_USE_UNDERSCORE) - target_compile_definitions(${pelec_exe_name} PRIVATE BL_USE_F_BASELIB) - target_compile_definitions(${pelec_exe_name} PRIVATE AMREX_SPACEDIM=${PELEC_DIM}) - target_compile_definitions(${pelec_exe_name} PRIVATE AMREX_FORT_USE_UNDERSCORE) - target_compile_definitions(${pelec_exe_name} PRIVATE AMREX_USE_F_BASELIB) - target_compile_definitions(${pelec_exe_name} PRIVATE $<$:BL_LANG_FORT>) - target_compile_definitions(${pelec_exe_name} PRIVATE $<$:AMREX_LANG_FORT>) - - # CMake BUILD_TYPE should already define this - #if(${CMAKE_BUILD_TYPE} MATCHES "Release") - # target_compile_definitions(${pelec_exe_name} PRIVATE NDEBUG) - #endif() - - if(${CMAKE_SYSTEM_NAME} MATCHES "Darwin") - target_compile_definitions(${pelec_exe_name} PRIVATE BL_Darwin) - target_compile_definitions(${pelec_exe_name} PRIVATE AMREX_Darwin) - endif() - - #PeleC definitions - if(PELEC_ENABLE_EB) - target_compile_definitions(${pelec_exe_name} PRIVATE PELE_USE_EB) - target_compile_definitions(${pelec_exe_name} PRIVATE PELEC_USE_EB) - target_compile_definitions(${pelec_exe_name} PRIVATE AMREX_USE_EB) - endif() - - if("${PELEC_TRANSPORT_MODEL}" STREQUAL "EGLib") - target_compile_definitions(${pelec_exe_name} PRIVATE EGLIB_TRANSPORT) - elseif("${PELEC_TRANSPORT_MODEL}" STREQUAL "Simple") - target_compile_definitions(${pelec_exe_name} PRIVATE SIMPLE_TRANSPORT) - elseif("${PELEC_TRANSPORT_MODEL}" STREQUAL "Constant") - target_compile_definitions(${pelec_exe_name} PRIVATE CONSTANT_TRANSPORT) - endif() - - if(PELEC_ENABLE_MOL) - target_compile_definitions(${pelec_exe_name} PRIVATE PELEC_USE_MOL) - endif() - - if(PELEC_ENABLE_REACTIONS) - target_compile_definitions(${pelec_exe_name} PRIVATE REACTIONS) - endif() - - if(PELEC_ENABLE_PARTICLES) - target_compile_definitions(${pelec_exe_name} PRIVATE AMREX_PARTICLES) - endif() - - #AMReX include directories - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Base) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Amr) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/AmrCore) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Base) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/F_Interfaces/AmrCore) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Boundary) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Tools/C_scripts) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/F_Interfaces/Base) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_BINARY_DIR}/fortran_modules/amrex${PELEC_DIM}d${EB}_fortran_modules) - if(PELEC_ENABLE_EB) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/EB) - endif() - - #PelePhysics include directories - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Transport) - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Transport/${PELEC_TRANSPORT_MODEL}) - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Reactions) - if(("${PELEC_TRANSPORT_MODEL}" STREQUAL "EGLib") OR ("${PELEC_TRANSPORT_MODEL}" STREQUAL "Simple")) - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Evaluation) - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Mechanism) - endif() - if(DEFINED PELEC_CHEMISTRY_MODEL) - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Mechanism/Models/${PELEC_CHEMISTRY_MODEL}) - endif() - - #PeleC include directories - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Source) - target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_SOURCE_DIR}/Source/param_includes) - - #Link our executable to the MPI libraries, etc - if(PELEC_ENABLE_MPI) - target_link_libraries(${pelec_exe_name} PRIVATE MPI::MPI_CXX MPI::MPI_C MPI::MPI_Fortran) - target_compile_definitions(${pelec_exe_name} PRIVATE BL_USE_MPI) - target_compile_definitions(${pelec_exe_name} PRIVATE AMREX_USE_MPI) - endif() - - #Link our executable to the MASA libraries, etc - if(PELEC_ENABLE_MASA) - target_link_libraries(${pelec_exe_name} PRIVATE ${MASA_LIBRARY} ${MASA_FORTRAN_LIBRARY}) - target_compile_definitions(${pelec_exe_name} PRIVATE USE_MASA DO_PROBLEM_POST_TIMESTEP DO_PROBLEM_POST_INIT) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${MASA_INCLUDE_DIRS}) - target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${MASA_MOD_DIRS}) - endif() - - #if(PELEC_ENABLE_OPENMP) - # string(APPEND CMAKE_CXX_FLAGS " ${OpenMP_CXX_FLAGS}") - # string(APPEND CMAKE_C_FLAGS " ${OpenMP_C_FLAGS}") - # string(APPEND CMAKE_Fortran_FLAGS " ${OpenMP_Fortran_FLAGS}") - #endif() - - #Keep our Fortran module files confined to a unique directory for each executable - set_target_properties(${pelec_exe_name} PROPERTIES Fortran_MODULE_DIRECTORY - "${CMAKE_BINARY_DIR}/fortran_modules/${pelec_exe_name}_fortran_modules") - - #Create directory unique to executable to store generated files - set(GENERATED_FILES_DIR ${CMAKE_BINARY_DIR}/generated_files/${pelec_exe_name}_generated_files) - file(MAKE_DIRECTORY ${GENERATED_FILES_DIR}) - - set(PARAMETER_DIRS "") - string(APPEND PARAMETER_DIRS " ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Eos/_parameters") - string(APPEND PARAMETER_DIRS " ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Reactions/_parameters") - string(APPEND PARAMETER_DIRS " ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Transport/_parameters") - string(APPEND PARAMETER_DIRS " ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Eos/${PELEC_EOS_MODEL}/_parameters") - string(APPEND PARAMETER_DIRS " ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Transport/${PELEC_TRANSPORT_MODEL}/_parameters") - if("${PELEC_REACTIONS_MODEL}" STREQUAL "Fuego") - string(APPEND PARAMETER_DIRS " ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Reactions/${PELEC_REACTIONS_MODEL}/_parameters") - endif() - - if(PYTHON_FOUND) - #Generate the extern.f90 file with Python - add_custom_target(generate_extern_${pelec_exe_name} ALL - COMMAND ${PYTHON_EXECUTABLE} ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Tools/F_scripts/write_probin.py - -t ${CMAKE_SOURCE_DIR}/Source/extern_probin.template - -o extern.f90 -n extern --pa "${PARAMETER_DIRS}" - WORKING_DIRECTORY ${GENERATED_FILES_DIR} BYPRODUCTS ${GENERATED_FILES_DIR}/extern.f90 - COMMENT "Generating extern.f90" - ) - - #Generate the AMReX_buildInfo.cpp file with Python - add_custom_target(generate_build_info_${pelec_exe_name} ALL - COMMAND ${PYTHON_EXECUTABLE} ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Tools/C_scripts/makebuildinfo_C.py - --amrex_home "${CMAKE_SOURCE_DIR}/Submodules/AMReX" - --COMP ${CMAKE_C_COMPILER_ID} --COMP_VERSION ${CMAKE_C_COMPILER_VERSION} - --FCOMP ${CMAKE_Fortran_COMPILER_ID} --FCOMP_VERSION ${CMAKE_Fortran_COMPILER_VERSION} - --GIT "${CMAKE_SOURCE_DIR} ${CMAKE_SOURCE_DIR}/Submodules/AMReX ${CMAKE_SOURCE_DIR}/Submodules/PelePhysics" - WORKING_DIRECTORY ${GENERATED_FILES_DIR} BYPRODUCTS ${GENERATED_FILES_DIR}/AMReX_buildInfo.cpp - COMMENT "Generating AMReX_buildInfo.cpp" - ) - endif() - - #Set the dependencies on targets so the generated source code files are there before we try to build the executable - add_dependencies(${pelec_exe_name} generate_extern_${pelec_exe_name} generate_build_info_${pelec_exe_name}) - - #Define what we want to be installed during a make install - install(TARGETS ${pelec_exe_name} - RUNTIME DESTINATION bin - ARCHIVE DESTINATION lib - LIBRARY DESTINATION lib) - -endfunction(build_pelec pelec_exe_name pelec_exe_options_file) diff --git a/CMake/build_plot_tool.cmake b/CMake/build_plot_tool.cmake deleted file mode 100644 index 46d793304..000000000 --- a/CMake/build_plot_tool.cmake +++ /dev/null @@ -1,58 +0,0 @@ -function(build_plot_tool PLOT_TOOL_NAME) - - #Expose functions we want to be able to call - include(${CMAKE_SOURCE_DIR}/CMake/add_source_function.cmake) - include(${CMAKE_SOURCE_DIR}/CMake/plot_tool_sources.cmake) - - #Clear source file list from any previous executables - set_property(GLOBAL PROPERTY GlobalPlotToolSourceList "") - - #Aggregate amrex and pelephysics source files - get_plot_tool_sources(${PLOT_TOOL_NAME}) - - #Put source list from global property into local list - get_property(PLOT_TOOL_SOURCES GLOBAL PROPERTY GlobalPlotToolSourceList) - - #Create an executable based on all the source files we aggregated - add_executable(${PLOT_TOOL_NAME} ${PLOT_TOOL_SOURCES}) - - #Set definitions for our particular executable - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE BL_SPACEDIM=3) - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE BL_FORT_USE_UNDERSCORE) - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE AMREX_SPACEDIM=3) - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE AMREX_FORT_USE_UNDERSCORE) - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE $<$:BL_LANG_FORT>) - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE $<$:AMREX_LANG_FORT>) - # CMake BUILD_TYPE should already define this for us - #if(${CMAKE_BUILD_TYPE} MATCHES "Release") - # target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE NDEBUG) - #endif() - if(${CMAKE_SYSTEM_NAME} MATCHES "Darwin") - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE BL_Darwin) - target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE AMREX_Darwin) - endif() - - #AMReX include directories - target_include_directories(${PLOT_TOOL_NAME} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Base) - target_include_directories(${PLOT_TOOL_NAME} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/AMReX/Tools/Plotfile) - - target_link_libraries(${PLOT_TOOL_NAME} Threads::Threads) - - #Link our executable to the MPI libraries, etc - #if(PELEC_ENABLE_MPI) - # target_link_libraries(${PLOT_TOOL_NAME} PRIVATE MPI::MPI_CXX MPI::MPI_C MPI::MPI_Fortran) - # target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE BL_USE_MPI) - # target_compile_definitions(${PLOT_TOOL_NAME} PRIVATE AMREX_USE_MPI) - #endif() - - #Keep our Fortran module files confined to a unique directory for each executable - set_target_properties(${PLOT_TOOL_NAME} PROPERTIES Fortran_MODULE_DIRECTORY - "${CMAKE_BINARY_DIR}/fortran_modules/${PLOT_TOOL_NAME}_fortran_modules") - - #Define what we want to be installed during a make install - install(TARGETS ${PLOT_TOOL_NAME} - RUNTIME DESTINATION bin - ARCHIVE DESTINATION lib - LIBRARY DESTINATION lib) - -endfunction(build_plot_tool PLOT_TOOL_NAME) diff --git a/CMake/build_unit_test.cmake b/CMake/build_unit_test.cmake deleted file mode 100644 index ba226ce41..000000000 --- a/CMake/build_unit_test.cmake +++ /dev/null @@ -1,67 +0,0 @@ -function(build_unit_test utest_exe_name utest_exe_options_file) - - unset(PELEC_DIM) - unset(PELEC_ENABLE_EB) - unset(PELEC_ENABLE_MASA) - unset(PELEC_ENABLE_REACTIONS) - unset(PELEC_ENABLE_MOL) - unset(PELEC_ENABLE_PARTICLES) - unset(PELEC_EOS_MODEL) - unset(PELEC_REACTIONS_MODEL) - unset(PELEC_CHEMISTRY_MODEL) - unset(PELEC_TRANSPORT_MODEL) - - get_filename_component(exe_directory ${utest_exe_options_file} DIRECTORY) - include(${utest_exe_options_file}) - - #Expose functions we would like to be able to call here - include(${CMAKE_SOURCE_DIR}/CMake/add_source_function.cmake) - include(${CMAKE_SOURCE_DIR}/CMake/pelec_unit_test_sources.cmake) - - #Clear out list of source files for unit tests - set_property(GLOBAL PROPERTY GlobalUnitSourceList "") - - #Aggregate source files for unit tests - get_pelec_unit_test_sources() - - #Put source list from global property into local list - get_property(PELE_UNIT_SOURCES GLOBAL PROPERTY GlobalUnitSourceList) - - #Create our unit test executable - add_executable(${utest_exe_name} ${PELE_UNIT_SOURCES}) - - #Link our unit test executable with Google Test, etc - #target_link_libraries(${utest_exe_name} PRIVATE GTest::GTest GTest::Main) - target_link_libraries(${utest_exe_name} PRIVATE gtest gtest_main) - target_include_directories(${utest_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/GoogleTest/googletest/include) - - #Set definitions for our particular executable - target_compile_definitions(${utest_exe_name} PRIVATE BL_SPACEDIM=${PELEC_DIM}) - target_compile_definitions(${utest_exe_name} PRIVATE BL_FORT_USE_UNDERSCORE) - target_compile_definitions(${utest_exe_name} PRIVATE AMREX_SPACEDIM=${PELEC_DIM}) - target_compile_definitions(${utest_exe_name} PRIVATE AMREX_FORT_USE_UNDERSCORE) - target_compile_definitions(${utest_exe_name} PRIVATE $<$:BL_LANG_FORT>) - target_compile_definitions(${utest_exe_name} PRIVATE $<$:AMREX_LANG_FORT>) - # CMake BUILD_TYPE should already define this for us - #if(${CMAKE_BUILD_TYPE} MATCHES "Release") - # target_compile_definitions(${utest_exe_name} PRIVATE NDEBUG) - #endif() - if(${CMAKE_SYSTEM_NAME} MATCHES "Darwin") - target_compile_definitions(${utest_exe_name} PRIVATE BL_Darwin) - target_compile_definitions(${utest_exe_name} PRIVATE AMREX_Darwin) - endif() - - #Link our unit test executable with MPI, etc - if(PELEC_ENABLE_MPI) - target_link_libraries(${utest_exe_name} PRIVATE MPI::MPI_CXX MPI::MPI_C MPI::MPI_Fortran) - target_compile_definitions(${utest_exe_name} PRIVATE BL_USE_MPI) - target_compile_definitions(${utest_exe_name} PRIVATE AMREX_USE_MPI) - endif() - - #Choose what we want installed if we do a make install - install(TARGETS ${utest_exe_name} - RUNTIME DESTINATION bin - ARCHIVE DESTINATION lib - LIBRARY DESTINATION lib) - -endfunction(build_unit_test utest_exe_name) diff --git a/CMake/pelec_sources.cmake b/CMake/pelec_sources.cmake deleted file mode 100644 index 2ccdf8cf5..000000000 --- a/CMake/pelec_sources.cmake +++ /dev/null @@ -1,155 +0,0 @@ -#Aggregate PeleC source files -function(get_pelec_sources pelec_exe_name) - - if(${PELEC_DIM} EQUAL 1) - set(PELEC_ENABLE_EB OFF) - endif() - set(PELEC_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Source") - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/PeleC.cpp - ${PELEC_SOURCE_DIR}/PeleCBld.cpp - ${PELEC_SOURCE_DIR}/PeleC_MOL.cpp - ${PELEC_SOURCE_DIR}/PeleC_advance.cpp - ${PELEC_SOURCE_DIR}/PeleC_bcfill.cpp - ${PELEC_SOURCE_DIR}/PeleC_external.cpp - ${PELEC_SOURCE_DIR}/PeleC_forcing.cpp - ${PELEC_SOURCE_DIR}/PeleC_hydro.cpp - ${PELEC_SOURCE_DIR}/PeleC_init_eb.cpp - ${PELEC_SOURCE_DIR}/PeleC_io.cpp - ${PELEC_SOURCE_DIR}/PeleC_setup.cpp - ${PELEC_SOURCE_DIR}/PeleC_sources.cpp - ${PELEC_SOURCE_DIR}/Prob.cpp - ${PELEC_SOURCE_DIR}/main.cpp - ${PELEC_SOURCE_DIR}/sum_integrated_quantities.cpp - ${PELEC_SOURCE_DIR}/sum_utils.cpp - ${PELEC_SOURCE_DIR}/Filter.cpp - ${PELEC_SOURCE_DIR}/PeleC_les.cpp - #${PELEC_SOURCE_DIR}/PeleC_error.cpp - ) - if(PELEC_ENABLE_REACTIONS) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/PeleC_react.cpp - ) - endif() - if(PELEC_ENABLE_PARTICLES) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/PeleCParticles.cpp - ) - endif() - if(PELEC_ENABLE_MASA) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/PeleC_mms.cpp - ) - endif() - if(PELEC_ENABLE_EB) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/EBStencilTypes_mod.F90 - ) - endif() - - set(PELEC_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Source/Src_${PELEC_DIM}d") - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/advection_util_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/impose_NSCBC_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/riemann_${PELEC_DIM}d.F90 - ${PELEC_SOURCE_DIR}/set_bc_mask_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/filter_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/lesterm_${PELEC_DIM}d.f90 - #${PELEC_SOURCE_DIR}/slope_mol_${PELEC_DIM}d.f90 - #${PELEC_SOURCE_DIR}/PeleC_mol_${PELEC_DIM}d.F90 - ) - if(${PELEC_DIM} GREATER 1) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/grad_utils_${PELEC_DIM}d.F90 - ) - endif() - if(${PELEC_DIM} GREATER 1 AND PELEC_ENABLE_EB) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/PeleC_init_eb_${PELEC_DIM}d.F90 - ) - endif() - if("${PELEC_TRANSPORT_TYPE}" STREQUAL "IDEAL_GAS") - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/diffterm_${PELEC_DIM}d.f90 - ) - elseif("${PELEC_TRANSPORT_TYPE}" STREQUAL "REAL_GAS") - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/diffterm_nonideal_${PELEC_DIM}d.f90 - ) - endif() - if(PELEC_ENABLE_MOL AND PELEC_ENABLE_EB) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/Hyp_pele_MOL_${PELEC_DIM}d.F90 - ${PELEC_SOURCE_DIR}/slope_mol_${PELEC_DIM}d_EB.f90 - ) - else() - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/trace_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/trace_ppm_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/ppm_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/slope_${PELEC_DIM}d.f90 - ${PELEC_SOURCE_DIR}/PeleC_advection_${PELEC_DIM}d.F90 - ${PELEC_SOURCE_DIR}/PeleC_${PELEC_DIM}d.F90 - ) - if(${PELEC_DIM} GREATER 1) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/trans_${PELEC_DIM}d.F90 - ) - endif() - endif() - - set(PELEC_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Source/Src_nd") - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/Derive_nd.F90 - ${PELEC_SOURCE_DIR}/Diffusion_nd.f90 - ${PELEC_SOURCE_DIR}/Make.package - ${PELEC_SOURCE_DIR}/PeleC_nd.F90 - ${PELEC_SOURCE_DIR}/PeleC_util.F90 - ${PELEC_SOURCE_DIR}/Problem.f90 - ${PELEC_SOURCE_DIR}/Tagging_nd.f90 - ${PELEC_SOURCE_DIR}/advection_util_nd.F90 - ${PELEC_SOURCE_DIR}/amrinfo.f90 - ${PELEC_SOURCE_DIR}/ext_src_nd.f90 - ${PELEC_SOURCE_DIR}/filcc_nd.F90 - ${PELEC_SOURCE_DIR}/flatten_nd.F90 - ${PELEC_SOURCE_DIR}/forcing_src_nd.F90 - ${PELEC_SOURCE_DIR}/interpolate.f90 - ${PELEC_SOURCE_DIR}/io.f90 - ${PELEC_SOURCE_DIR}/math.f90 - ${PELEC_SOURCE_DIR}/meth_params.F90 - ${PELEC_SOURCE_DIR}/parmparse_fi.cpp - ${PELEC_SOURCE_DIR}/parmparse_mod.f90 - ${PELEC_SOURCE_DIR}/prob_params.f90 - ${PELEC_SOURCE_DIR}/problem_derive_nd.F90 - ${PELEC_SOURCE_DIR}/problem_tagging_nd.F90 - ${PELEC_SOURCE_DIR}/rk_params.f90 - ${PELEC_SOURCE_DIR}/riemann_util.f90 - ${PELEC_SOURCE_DIR}/string_mod.f90 - ${PELEC_SOURCE_DIR}/sums_nd.f90 - ${PELEC_SOURCE_DIR}/timestep.F90 - ${PELEC_SOURCE_DIR}/weno.f90 - #${PELEC_SOURCE_DIR}/bc_fill_nd.F90 - #${PELEC_SOURCE_DIR}/Prob_nd.F90 - ) - if(PELEC_ENABLE_REACTIONS) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/React_nd.F90 - ) - endif() - if(PELEC_ENABLE_MASA) - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/mms_src_nd.F90 - ) - endif() - - set(PELEC_SOURCE_DIR "${CMAKE_SOURCE_DIR}/constants") - add_sources(GlobalSourceList - ${PELEC_SOURCE_DIR}/constants_cgs.f90 - ) - - #Add generated source files - add_sources(GlobalSourceList - ${CMAKE_BINARY_DIR}/generated_files/${pelec_exe_name}_generated_files/extern.f90 - ${CMAKE_BINARY_DIR}/generated_files/${pelec_exe_name}_generated_files/AMReX_buildInfo.cpp - ) -endfunction(get_pelec_sources pelec_exe_name) diff --git a/CMake/pelec_unit_test_sources.cmake b/CMake/pelec_unit_test_sources.cmake deleted file mode 100644 index 8976b90eb..000000000 --- a/CMake/pelec_unit_test_sources.cmake +++ /dev/null @@ -1,8 +0,0 @@ -#Aggregate PeleC unit test source files -function(get_pelec_unit_test_sources) - set(PELEC_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Testing/unit_tests") - add_sources(GlobalUnitSourceList - ${PELEC_SOURCE_DIR}/unit-tests-${PELEC_DIM}d.C - ${PELEC_SOURCE_DIR}/unit-test-${PELEC_DIM}d-1.C - ) -endfunction(get_pelec_unit_test_sources) diff --git a/CMake/pelephysics_sources.cmake b/CMake/pelephysics_sources.cmake deleted file mode 100644 index 23db5a3d5..000000000 --- a/CMake/pelephysics_sources.cmake +++ /dev/null @@ -1,75 +0,0 @@ -function(get_pelephysics_sources) - - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Eos") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/eos_type.f90 - ) - - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Eos/${PELEC_EOS_MODEL}") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/eos.F90 - ) - - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Evaluation") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/LinAlg.f - ${PELEPHYSICS_SOURCE_DIR}/bdf.f90 - ${PELEPHYSICS_SOURCE_DIR}/bdf_data.f90 - ${PELEPHYSICS_SOURCE_DIR}/math_d.f - ${PELEPHYSICS_SOURCE_DIR}/vode.f - ${PELEPHYSICS_SOURCE_DIR}/vode_module.f90 - ) - if(USE_FUEGO) - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/egz_module.f90 - ) - endif() - - # CMake has the worst possible ways to check whether a string is defined or not - if(NOT DEFINED PELEC_CHEMISTRY_MODEL) - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Mechanism") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/chemistry_module_null.f90 - ) - else() - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Mechanism") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/chemistry_module.F90 - ) - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Mechanism/Models") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/mod_fuego.f90 - ) - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Support/Fuego/Mechanism/Models/${PELEC_CHEMISTRY_MODEL}") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/${PELEC_CHEMISTRY_MODEL}.cpp - ) - endif() - - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Transport") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/transport_type.f90 - ${PELEPHYSICS_SOURCE_DIR}/transport.F90 - ) - - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Transport/${PELEC_TRANSPORT_MODEL}") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/actual_transport.f90 - ) - - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Reactions") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/network.f90 - ) - - set(PELEPHYSICS_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/PelePhysics/Reactions/${PELEC_REACTIONS_MODEL}") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/actual_network.f90 - ${PELEPHYSICS_SOURCE_DIR}/actual_reactor.F90 - ) - if("${PELEC_REACTIONS_MODEL}" STREQUAL "Fuego") - add_sources(GlobalSourceList - ${PELEPHYSICS_SOURCE_DIR}/react_type.F90 - ) - endif() -endfunction(get_pelephysics_sources) diff --git a/CMake/plot_tool_sources.cmake b/CMake/plot_tool_sources.cmake deleted file mode 100644 index 4087b5cce..000000000 --- a/CMake/plot_tool_sources.cmake +++ /dev/null @@ -1,87 +0,0 @@ -function(get_plot_tool_sources PLOT_TOOL_NAME) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Src/Base") - add_sources(GlobalPlotToolSourceList - # CPP - ${AMREX_SOURCE_DIR}/AMReX_Machine.cpp - ${AMREX_SOURCE_DIR}/AMReX_MemPool.cpp - ${AMREX_SOURCE_DIR}/AMReX_BLBackTrace.cpp - ${AMREX_SOURCE_DIR}/AMReX_BLProfiler.cpp - ${AMREX_SOURCE_DIR}/AMReX_PlotFileDataImpl.cpp - ${AMREX_SOURCE_DIR}/AMReX_PlotFileUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_BCUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_PhysBCFunct.cpp - ${AMREX_SOURCE_DIR}/AMReX_BCRec.cpp - ${AMREX_SOURCE_DIR}/AMReX_MultiFabUtil_Perilla.cpp - ${AMREX_SOURCE_DIR}/AMReX_MultiFabUtil.cpp - ${AMREX_SOURCE_DIR}/AMReX_Geometry.cpp - ${AMREX_SOURCE_DIR}/AMReX_CoordSys.cpp - ${AMREX_SOURCE_DIR}/AMReX_MFIter.cpp - ${AMREX_SOURCE_DIR}/AMReX_FabArrayBase.cpp - ${AMREX_SOURCE_DIR}/AMReX_iMultiFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_MFCopyDescriptor.cpp - ${AMREX_SOURCE_DIR}/AMReX_MultiFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_BaseFab.cpp - ${AMREX_SOURCE_DIR}/AMReX_IArrayBox.cpp - ${AMREX_SOURCE_DIR}/AMReX_FArrayBox.cpp - ${AMREX_SOURCE_DIR}/AMReX_BoxDomain.cpp - ${AMREX_SOURCE_DIR}/AMReX_BoxArray.cpp - ${AMREX_SOURCE_DIR}/AMReX_BoxList.cpp - ${AMREX_SOURCE_DIR}/AMReX_RealVect.cpp - ${AMREX_SOURCE_DIR}/AMReX_RealBox.cpp - ${AMREX_SOURCE_DIR}/AMReX_Periodicity.cpp - ${AMREX_SOURCE_DIR}/AMReX_Orientation.cpp - ${AMREX_SOURCE_DIR}/AMReX_IndexType.cpp - ${AMREX_SOURCE_DIR}/AMReX_IntVect.cpp - ${AMREX_SOURCE_DIR}/AMReX_BoxIterator.cpp - ${AMREX_SOURCE_DIR}/AMReX_Box.cpp - ${AMREX_SOURCE_DIR}/AMReX_VectorIO.cpp - ${AMREX_SOURCE_DIR}/AMReX_IntConv.cpp - ${AMREX_SOURCE_DIR}/AMReX_FPC.cpp - ${AMREX_SOURCE_DIR}/AMReX_FabConv.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuElixir.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuAsyncArray.cpp - ${AMREX_SOURCE_DIR}/AMReX_CudaAllocators.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuUtility.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuDevice.cpp - ${AMREX_SOURCE_DIR}/AMReX_GpuControl.cpp - ${AMREX_SOURCE_DIR}/AMReX_parstream.cpp - ${AMREX_SOURCE_DIR}/AMReX_NFiles.cpp - ${AMREX_SOURCE_DIR}/AMReX_EArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_DArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_CArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_BArena.cpp - ${AMREX_SOURCE_DIR}/AMReX_Arena.cpp - ${AMREX_SOURCE_DIR}/AMReX_VisMF.cpp - ${AMREX_SOURCE_DIR}/AMReX_ParallelContext.cpp - ${AMREX_SOURCE_DIR}/AMReX_ForkJoin.cpp - ${AMREX_SOURCE_DIR}/AMReX_ParallelDescriptor.cpp - ${AMREX_SOURCE_DIR}/AMReX_DistributionMapping.cpp - ${AMREX_SOURCE_DIR}/AMReX_Utility.cpp - ${AMREX_SOURCE_DIR}/AMReX_parmparse_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_ParmParse.cpp - ${AMREX_SOURCE_DIR}/AMReX_error_fi.cpp - ${AMREX_SOURCE_DIR}/AMReX_Random.cpp - ${AMREX_SOURCE_DIR}/AMReX.cpp - # Fortran - ${AMREX_SOURCE_DIR}/AMReX_constants_mod.f90 - ${AMREX_SOURCE_DIR}/AMReX_FILCC_3D.F90 - ${AMREX_SOURCE_DIR}/AMReX_BLutil_F.F90 - ${AMREX_SOURCE_DIR}/AMReX_BLProfiler_F.F90 - ${AMREX_SOURCE_DIR}/AMReX_filcc_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_omp_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_acc_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_fort_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_error_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_parmparse_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_string_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_bc_types_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_io_mod.F90 - ${AMREX_SOURCE_DIR}/AMReX_ParallelDescriptor_F.F90 - ${AMREX_SOURCE_DIR}/AMReX_mempool_mod.F90 - ) - set(AMREX_SOURCE_DIR "${CMAKE_SOURCE_DIR}/Submodules/AMReX/Tools/Plotfile") - add_sources(GlobalPlotToolSourceList - ${AMREX_SOURCE_DIR}/AMReX_PPMUtil.cpp - ${AMREX_SOURCE_DIR}/${PLOT_TOOL_NAME}.cpp - ) -endfunction(get_plot_tool_sources) diff --git a/CMake/set_compile_flags.cmake b/CMake/set_compile_flags.cmake deleted file mode 100644 index 99613ebb1..000000000 --- a/CMake/set_compile_flags.cmake +++ /dev/null @@ -1,107 +0,0 @@ -function(set_compile_flags) - string(TOUPPER "${CMAKE_BUILD_TYPE}" BUILD_TYPE) - - # Note CMake should set certain flags correctly according to the CMAKE_BUILD_TYPE - #message(STATUS "CMAKE_C_FLAGS_DEBUG is ${CMAKE_C_FLAGS_DEBUG}") - #message(STATUS "CMAKE_C_FLAGS_RELEASE is ${CMAKE_C_FLAGS_RELEASE}") - #message(STATUS "CMAKE_C_FLAGS_RELWITHDEBINFO is ${CMAKE_C_FLAGS_RELWITHDEBINFO}") - #message(STATUS "CMAKE_C_FLAGS_MINSIZEREL is ${CMAKE_C_FLAGS_MINSIZEREL}") - #message(STATUS "CMAKE_CXX_FLAGS_DEBUG is ${CMAKE_CXX_FLAGS_DEBUG}") - #message(STATUS "CMAKE_CXX_FLAGS_RELEASE is ${CMAKE_CXX_FLAGS_RELEASE}") - #message(STATUS "CMAKE_CXX_FLAGS_RELWITHDEBINFO is ${CMAKE_CXX_FLAGS_RELWITHDEBINFO}") - #message(STATUS "CMAKE_CXX_FLAGS_MINSIZEREL is ${CMAKE_CXX_FLAGS_MINSIZEREL}") - #message(STATUS "CMAKE_Fortran_FLAGS_DEBUG is ${CMAKE_Fortran_FLAGS_DEBUG}") - #message(STATUS "CMAKE_Fortran_FLAGS_RELEASE is ${CMAKE_Fortran_FLAGS_RELEASE}") - #message(STATUS "CMAKE_Fortran_FLAGS_RELWITHDEBINFO is ${CMAKE_Fortran_FLAGS_RELWITHDEBINFO}") - #message(STATUS "CMAKE_Fortran_FLAGS_MINSIZEREL is ${CMAKE_Fortran_FLAGS_MINSIZEREL}") - - # Add any extra flags based on compiler and/or OS - if("${CMAKE_CXX_COMPILER_ID}" STREQUAL "AppleClang" OR - "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang" OR - "${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU") - - # Always add for this compiler - list(APPEND CMAKE_CXX_FLAGS "") - list(APPEND CMAKE_C_FLAGS "") - list(APPEND CMAKE_Fortran_FLAGS "-ffree-line-length-none" - "-ffixed-line-length-none" - "-fno-range-check" - "-fno-second-underscore") - if(NOT "${BUILD_TYPE}" STREQUAL "DEBUG") - # Add extra optimization flags - list(APPEND CMAKE_CXX_FLAGS "") - list(APPEND CMAKE_C_FLAGS "") - list(APPEND CMAKE_Fortran_FLAGS "") - else() - # Add extra debug flags - list(APPEND CMAKE_CXX_FLAGS "") - list(APPEND CMAKE_C_FLAGS "") - list(APPEND CMAKE_Fortran_FLAGS "-fcheck=bounds" - "-fbacktrace" - "-ffpe-trap=invalid,zero" - "-finit-real=snan" - "-finit-integer=2147483647" - "-ftrapv") - endif() - elseif("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Intel") - # Always add for this compiler - list(APPEND CMAKE_CXX_FLAGS "-restrict") - list(APPEND CMAKE_C_FLAGS "-restrict") - list(APPEND CMAKE_Fortran_FLAGS "") - if(NOT "${BUILD_TYPE}" STREQUAL "DEBUG") - # Add extra optimization flags - list(APPEND CMAKE_CXX_FLAGS "-ip" - "-qopt-report=5" - "-qopt-report-phase=vec" - "-diag-disable:10397") # Hundreds of remarks about .optrpt generated in the "output" location - list(APPEND CMAKE_C_FLAGS "-ip" - "-qopt-report=5" - "-qopt-report-phase=vec") - list(APPEND CMAKE_Fortran_FLAGS "-diag-disable:8291") # Remark about high precision in an stdout write statement that a mainframe can't handle - else() - # Add extra debug flags - list(APPEND CMAKE_CXX_FLAGS "-traceback" - "-Wcheck") - list(APPEND CMAKE_C_FLAGS "-traceback" - "-Wcheck") - list(APPEND CMAKE_Fortran_FLAGS "-traceback" - "-check bounds,uninit,pointers") - endif() - endif() - - # Logic for managing warnings - if(ENABLE_ALL_WARNINGS) - # GCC, Clang, and Intel seem to accept these - list(APPEND CMAKE_CXX_FLAGS "-Wall" "-Wextra" "-pedantic") - list(APPEND CMAKE_C_FLAGS "-Wall" "-Wextra" "-pedantic") - if (NOT "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Intel") - # ifort doesn't like -Wall - list(APPEND CMAKE_Fortran_FLAGS "-Wall") - else() - # Intel reports some diagnostics we don't necessarily care about - list(APPEND CMAKE_CXX_FLAGS "-diag-disable:11074,11076") - endif() - if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU" AND CMAKE_CXX_COMPILER_VERSION VERSION_GREATER_EQUAL 7.0) - # Avoid notes about -faligned-new with GCC > 7 - list(APPEND CMAKE_CXX_FLAGS "-faligned-new") - endif() - else() - if("${CMAKE_CXX_COMPILER_ID}" STREQUAL "AppleClang" OR - "${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang" ) - # Avoid warning about explicit vectorization not happening in AMReX - list(APPEND CMAKE_CXX_FLAGS "-Wno-pass-failed") - list(APPEND CMAKE_C_FLAGS "-Wno-pass-failed") - endif() - endif() - - # Since we created the flags as lists, we replace the semicolons when it gets converted to a string - string(REPLACE ";" " " CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS}") - string(REPLACE ";" " " CMAKE_C_FLAGS "${CMAKE_C_FLAGS}") - string(REPLACE ";" " " CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS}") - - # Export regular cmake flags to the parent scope - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS}" PARENT_SCOPE) - set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS}" PARENT_SCOPE) - set(CMAKE_Fortran_FLAGS "${CMAKE_Fortran_FLAGS}" PARENT_SCOPE) - -endfunction(set_compile_flags) diff --git a/CMakeLists.txt b/CMakeLists.txt index b7c3151a7..db7ebef03 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -1,52 +1,56 @@ ############################ BASE ###################################### -cmake_minimum_required (VERSION 3.13 FATAL_ERROR) - +cmake_minimum_required (VERSION 3.14 FATAL_ERROR) project(PeleC CXX C Fortran) - list(APPEND CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/CMake") - include(CMakePackageConfigHelpers) ########################## OPTIONS ##################################### -#General options for the project -option(ENABLE_DOCUMENTATION "Build documentation" OFF) -option(ENABLE_SPHINX_API_DOCS "Link Doxygen API docs to Sphinx" OFF) -option(ENABLE_ALL_WARNINGS "Show most warnings for most compilers" OFF) - -#Enabling tests overrides the executable options -option(ENABLE_TESTS "Enable testing suite" OFF) -option(ENABLE_VERIFICATION "Enable verification suite" OFF) -option(ENABLE_FCOMPARE "Enable building fcompare when not testing" OFF) -option(ENABLE_FEXTREMA "Enable building fextrema when not testing" OFF) -option(TEST_WITH_FCOMPARE "Check test plots against gold files" OFF) -option(TEST_WITH_FEXTREMA "Check test plots against maxima and minima files" OFF) - -#Options for the executable in a single build dir +#General options for all executables in the project +set(PELEC_DIM "3" CACHE STRING "Number of physical dimensions") +option(PELEC_ENABLE_DOCUMENTATION "Build documentation" OFF) +option(PELEC_ENABLE_AMREX_EB "Enable EB in AMReX library" OFF) +option(PELEC_ENABLE_ALL_WARNINGS "Enable all compiler warnings" OFF) +option(PELEC_ENABLE_TESTS "Enable regression and unit tests" OFF) +option(PELEC_ENABLE_MASA "Enable tests that require MASA" OFF) +option(PELEC_ENABLE_FCOMPARE "Enable building fcompare when not testing" OFF) +option(PELEC_ENABLE_FCOMPARE_FOR_TESTS "Check test plots against gold files" OFF) + +#Options for performance option(PELEC_ENABLE_MPI "Enable MPI" OFF) -#option(PELEC_ENABLE_OPENMP "Enable OpenMP" OFF) -option(PELEC_ENABLE_MASA "Enable MASA for MMS" OFF) +option(PELEC_ENABLE_OPENMP "Enable OpenMP" OFF) +option(PELEC_ENABLE_CUDA "Enable CUDA" OFF) #Options for C++ -set(CMAKE_CXX_STANDARD 11) +set(CMAKE_CXX_STANDARD 14) set(CMAKE_CXX_EXTENSIONS OFF) set(CMAKE_CXX_STANDARD_REQUIRED ON) -#Options for libraries we build -#SET(BUILD_SHARED_LIBS OFF) +if(PELEC_ENABLE_TESTS AND PELEC_ENABLE_FCOMPARE_FOR_TESTS) + set(PELEC_ENABLE_FCOMPARE ON) +endif() -if(ENABLE_TESTS) - set(PELEC_ENABLE_MPI ON) - set(PELEC_ENABLE_MASA ON) - if(TEST_WITH_FCOMPARE) - set(ENABLE_FCOMPARE ON) - endif() - if(TEST_WITH_FEXTREMA) - set(ENABLE_FEXTREMA ON) +if(PELEC_ENABLE_CUDA) + enable_language(CUDA) + if(CMAKE_CUDA_COMPILER_VERSION VERSION_LESS "9.0") + message(FATAL_ERROR "Your nvcc version is ${CMAKE_CUDA_COMPILER_VERSION} which is unsupported." + "Please use CUDA toolkit version 9.0 or newer.") endif() endif() +if((NOT PELEC_DIM EQUAL 3) AND PELEC_ENABLE_AMREX_EB) + message(FATAL_ERROR "EB is only supported in 3D.") +endif() + +########################### AMReX ##################################### + +set(AMREX_SUBMOD_LOCATION "${CMAKE_SOURCE_DIR}/Submodules/AMReX") +include(${CMAKE_SOURCE_DIR}/CMake/SetAmrexOptions.cmake) +list(APPEND CMAKE_MODULE_PATH "${AMREX_SUBMOD_LOCATION}/Tools/CMake") +add_subdirectory(${AMREX_SUBMOD_LOCATION}) +include(${CMAKE_SOURCE_DIR}/CMake/SetAmrexCompileFlags.cmake) + ########################### MASA ##################################### if(PELEC_ENABLE_MASA) @@ -59,81 +63,30 @@ endif() ########################### PeleC ##################################### -if(ENABLE_VERIFICATION AND NOT ENABLE_TESTS) - message(FATAL_ERROR "-- Testing must be on to enable verification suite") -endif() - -if(ENABLE_VERIFICATION) - message(STATUS "Warning: Verification tests expect a specific Python environment and take a long time to run") -endif() - -include(${CMAKE_SOURCE_DIR}/CMake/set_compile_flags.cmake) -set_compile_flags() - -find_package(Python REQUIRED) -find_package(Threads REQUIRED) # Needed this for the Travis CI system if(PELEC_ENABLE_MPI) find_package(MPI REQUIRED) endif() -include(${CMAKE_SOURCE_DIR}/CMake/build_amrex.cmake) -include(${CMAKE_SOURCE_DIR}/CMake/build_pelec.cmake) -include(${CMAKE_SOURCE_DIR}/CMake/build_plot_tool.cmake) - # General information about machine, compiler, and build type +message(STATUS "PeleC Information:") message(STATUS "CMAKE_SYSTEM_NAME = ${CMAKE_SYSTEM_NAME}") message(STATUS "CMAKE_CXX_COMPILER_ID = ${CMAKE_CXX_COMPILER_ID}") message(STATUS "CMAKE_CXX_COMPILER_VERSION = ${CMAKE_CXX_COMPILER_VERSION}") message(STATUS "CMAKE_BUILD_TYPE = ${CMAKE_BUILD_TYPE}") -# Regular flags we have added -message(STATUS "CMAKE_CXX_FLAGS = ${CMAKE_CXX_FLAGS}") -message(STATUS "CMAKE_C_FLAGS = ${CMAKE_C_FLAGS}") -message(STATUS "CMAKE_Fortran_FLAGS = ${CMAKE_Fortran_FLAGS}") - -# User can set CMAKE_BUILD_TYPE case insensitively but we want it uppercase -string(TOUPPER "${CMAKE_BUILD_TYPE}" BUILD_TYPE) - -# Build type flags in which CMake adds for us -message(STATUS "CMAKE_CXX_FLAGS_${BUILD_TYPE} = ${CMAKE_CXX_FLAGS_${BUILD_TYPE}}") -message(STATUS "CMAKE_C_FLAGS_${BUILD_TYPE} = ${CMAKE_C_FLAGS_${BUILD_TYPE}}") -message(STATUS "CMAKE_Fortran_FLAGS_${BUILD_TYPE} = ${CMAKE_Fortran_FLAGS_${BUILD_TYPE}}") +# Turn on rpath stuff +include(${CMAKE_SOURCE_DIR}/CMake/SetRpath.cmake) -# Use, i.e. don't skip the full RPATH for the build tree -SET(CMAKE_SKIP_BUILD_RPATH FALSE) - -# When building, don't use the install RPATH already (but later on when installing) -SET(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE) -SET(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib") - -# Add the automatically determined parts of the RPATH -# which point to directories outside the build tree to the install RPATH -SET(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE) - -# The RPATH to be used when installing, but only if it's not a system directory -LIST(FIND CMAKE_PLATFORM_IMPLICIT_LINK_DIRECTORIES "${CMAKE_INSTALL_PREFIX}/lib" isSystemDir) -IF("${isSystemDir}" STREQUAL "-1") - SET(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib") -ENDIF("${isSystemDir}" STREQUAL "-1") - -if(ENABLE_FCOMPARE) - build_plot_tool(fcompare) -endif() -if(ENABLE_FEXTREMA) - build_plot_tool(fextrema) -endif() +#Build pelec executables and link to amrex library +add_subdirectory(ExecCpp) -if(ENABLE_TESTS) +if(PELEC_ENABLE_TESTS) enable_testing() include(CTest) - build_amrex() - add_subdirectory(Testing) -else() - include(${CMAKE_BINARY_DIR}/exe_options.cmake) - build_amrex() - build_pelec(PeleC-${PELEC_DIM}D ${CMAKE_BINARY_DIR}/exe_options.cmake) + add_subdirectory("Submodules/GoogleTest") + add_subdirectory(Tests) endif() -if(ENABLE_DOCUMENTATION) +if(PELEC_ENABLE_DOCUMENTATION) add_subdirectory(Docs) endif() diff --git a/Docs/sphinx_doc/GettingStarted.rst b/Docs/sphinx_doc/GettingStarted.rst index 891320650..e89073cb0 100644 --- a/Docs/sphinx_doc/GettingStarted.rst +++ b/Docs/sphinx_doc/GettingStarted.rst @@ -1,9 +1,6 @@ .. role:: cpp(code) :language: c++ - .. role:: fortran(code) - :language: fortran - .. _GettingStarted: Getting Started @@ -14,38 +11,31 @@ Navigation The PeleC directory structure is as shown below: -* **Source** - C++ and fortran source code - - * Src_1d - * Src_2d - * Src_3d - * Src_nd - * Spray +* **Source** - C++ source code * **Util** - third party utilities - * BLAS - * LAPACK - * VODE - * plot1d - -* **constants** - fundamental constants in CGS units - + * BLAS + * LAPACK + * VODE + * plot1d * **Docs** - PeleC documentation * sphinx_doc -* **Exec** - regression tests and various capability demonstrations +* **ExecCpp** - regression tests and various capability demonstrations * :ref:`Regression Tests` - * HIT - Box of homogeneous isotropic turbulence - * MMS - Method of manufactured solutions - * PMF - 2D Premixed H2-air flame calculation - * Sedov - Sedov blast wave test - * Sod - Sod shock tube test - * TG - Taylor-Green vortex test + * EB_MMS - Method of manufactured solutions + * HIT - Box of homogeneous isotropic turbulence + * MMS - Method of manufactured solutions + * PMF - 2D Premixed H2-air flame calculation + * Sedov - Sedov blast wave test + * Sod - Sod shock tube test + * TG - Taylor-Green vortex test + * zeroD - Single cell test for reaction model * UnitTests @@ -70,21 +60,17 @@ A few key files that need to be supplied for (most) cases are: **inputs** -- a text file containing parameters that are ready by the ParmParse capability in AMReX. These include things like number of time steps, grid size, output file frequency, which physics to include, etc. A list of available data in the Pele group can be found in PeleC/Source/param_includes/pelec_params.H -**probin** -- a text file used to include namelists to be read at problem initialization to set values of parameters only used in fortran routines - -**Prob_nd.F90** -- A fortran routine that contains routines called at: +**prob.cpp** -- Routines called at: * Initialization (`amrex_probinit`) * To set initial values on the grid (`pc_initdata`) * Problem teardown (`pc_prob_close`) -**probdata.f90** -- defines a fortran module (probdata_module) used to store data used only in PeleC fortran routines. Data that needs to accessed from both the -fortran and c++ layers should not be stored in here, but rather added to the ParmParse input file and copied to the meth_params_module. +**prob.H** -- Something about prob.H -**GNUMakefile** -- in addition to setting options to build profiling, debugging, MPI, OpenMP, Compiler toolchain options, the chemical mechanism, transport model, equation of state model, -and use of EB are set here for compile time selection. The GNUMakefile includes the ``Make.PeleC`` file from the `Exec` directory that contains build configuration common across the examples. +**prob_parm.H** -- Something about prob_parm.H -**bc_fill_nd.f90** -- used to set values for user defined boundary conditions that use GC-NSCBC. +**GNUMakefile** -- In addition to setting options to build profiling, debugging, MPI, OpenMP, Compiler toolchain options, the chemical mechanism, transport model, equation of state model, and use of EB are set here for compile time selection. The GNUMakefile includes the ``Make.PeleC`` file from the `ExecCpp` directory that contains build configuration common across the examples. .. include:: building.rst diff --git a/Docs/sphinx_doc/building.rst b/Docs/sphinx_doc/building.rst index 13c2b2dae..961f0e1c4 100644 --- a/Docs/sphinx_doc/building.rst +++ b/Docs/sphinx_doc/building.rst @@ -10,7 +10,7 @@ PeleC uses executables which are customized to the case in which the user intend which will print out the build information (including git hashes, modules, EoS, some basic information from compiled chemistry network, etc). -PeleC has the ability to use two build systems. First is the GNU Make build system. This build system is best for use on large computing facility machines and production runs. With the GNU Make implementation, the build system will inspeciest the machine and use known compiler optimizations explicit to that machine if possible. These explicit settings are kept up-to-date by the AMReX project. The second build system implemented is CMake. This is best used for developers of PeleC and more generalized. CMake allows for building as well as easy testing and verification of PeleC through the use of CTest which is included in CMake. +PeleC has the ability to use two build systems. First is the GNU Make build system. This build system is best for use on large computing facility machines and production runs. With the GNU Make implementation, the build system will inspect the machine and use known compiler optimizations explicit to that machine if possible. These explicit settings are kept up-to-date by the AMReX project. The second build system implemented is CMake. This is best used for developers of PeleC and more generalized. CMake allows for building as well as easy testing and verification of PeleC through the use of CTest which is included in CMake. GNU Make ~~~~~~~~ @@ -24,7 +24,7 @@ Using the GNU Make build system involves first setting environment variables for export PELE_PHYSICS_HOME=${PELEC_HOME}/Submodules/PelePhysics -Then one edits the ``GNUMakefile`` in any of the examples in the ``Exec`` directory and uses the ``make`` command to build the executable. +Then one edits the ``GNUMakefile`` in any of the examples in the ``ExecCpp`` directory and uses the ``make`` command to build the executable. CMake ~~~~~ @@ -33,7 +33,7 @@ Using CMake involves an additional configure step before using the ``make`` comm To build with CMake, a user typically creates a ``build`` directory in the project directory and in that directory the ``cmake ..`` command is used to configure the project before building it. PeleC provides an example build directory called ``Build`` with example scripts for performing the CMake configure. Once the CMake configure step is done, then the ``make`` command will build the executable. -To provide the user the ability to customize the executable in CMake, an ``exe_options.cmake`` file provides similar functionality to the ``GNUMakefile`` in the GNU Make system. In the ``exe_options.cmake`` file, the user can provide input source files, and other compile-time options. When providing source files, use the explicit location of the source files by providing ``${CMAKE_SOURCE_DIR}`` as the root directory of the project. In general CMake configure options prefixed with ``PELEC`` are options for executables while other options prefixed with ``ENABLE`` for example, are project specific settings for the current build directory. An example CMake configure command to build PeleC with MPI is listed below: +An example CMake configure command to build PeleC with MPI is listed below: :: @@ -44,4 +44,4 @@ To provide the user the ability to customize the executable in CMake, an ``exe_o -DCMAKE_Fortran_COMPILER:STRING=mpifort \ .. && make -Note when using CMake, the AMReX and PelePhysics are foundNote that CMake is able to generate makefiles for the Ninja build system as well which will allow for faster building of the executable(s). A Ninja version for Fortran support is required in this case. +Note that CMake is able to generate makefiles for the Ninja build system as well which will allow for faster building of the executable(s). diff --git a/Docs/sphinx_doc/testing.rst b/Docs/sphinx_doc/testing.rst index fd140fd10..98ab3d878 100644 --- a/Docs/sphinx_doc/testing.rst +++ b/Docs/sphinx_doc/testing.rst @@ -17,26 +17,21 @@ An example ``cmake`` configure command performed in the ``Build`` directory in P -DCMAKE_Fortran_COMPILER:STRING=mpifort \ -DENABLE_FCOMPARE:BOOL=ON \ -DENABLE_TESTS:BOOL=ON \ - -DTEST_WITH_FCOMPARE:BOOL=OFF \ - -DTEST_WITH_FEXTREMA:BOOL=OFF \ - -DENABLE_VERIFICATION:BOOL=ON \ + -DENABLE_FCOMPARE_FOR_TESTS:BOOL=OFF \ -DPELEC_ENABLE_MASA:BOOL=ON \ -DMASA_DIR:STRING=/path/to/masa/dir \ + -DPELEC_USE_CPP:BOOL=ON \ .. While performing a ``cmake -LAH ..`` command will give descriptions of every option for the CMake project. Descriptions of particular options regarding the testing suite are listed below: **ENABLE_FCOMPARE** -- builds the ``fcompare`` utility from AMReX as well as the executable(s), to allow for testing differences between plot files -**ENABLE_FEXTREMA** -- builds the ``fextrema`` utility from AMReX as well as the executable(s), to allow for testing differences between plot files - **ENABLE_TESTS** -- enables the base level regression test suite that will check whether each test will run its executable to completion successfully -**TEST_WITH_FCOMPARE** -- enables an additional step in the regression tests where the ``fcompare`` program from AMReX will also test for differences in the plots generated from the tests against "gold" files which contain previously verified results to machine precision - -**TEST_WITH_FEXTREMA** -- enables an additional step in the regression tests where the ``fextrema`` program from AMReX will also test for differences in the maxima and minima of the plots generated from the tests against "gold" files which contain previously verified results to machine precision (this is the default method in which Travis CI detects diffs in results because it's more portable than storing plot files) +**ENABLE_FCOMPARE_FOR_TESTS** -- enables an additional step in the regression tests where the ``fcompare`` program from AMReX will also test for differences in the plots generated from the tests against "gold" files which contain previously verified results to machine precision -**ENABLE_VERIFICATION** -- enables the verification suite which checks that PeleC is second order accurate using several additional tests, but note that the verification tests can take a significant amount of time to run and certain Python modules are expected to exist on the user's system to generate PNG plot files +**ENABLE_MASA** -- enables the verification suite which checks that PeleC is second order accurate using several additional tests, but note that the verification tests can take a significant amount of time to run and certain Python modules are expected to exist on the user's system to generate PNG plot files **PELEC_ENABLE_MASA** and **MASA_DIR** -- are required when the verification suite is enabled to perform the method of manufactured solutions @@ -56,4 +51,4 @@ To run the test suite, run ``ctest`` in the ``Build`` directory. CTest will run Adding Tests ~~~~~~~~~~~~ -Developers are encouraged to add tests to PeleC and in this section we describe how the tests are organized in the CTest framework. The locations of the tests are in ``PeleC/Testing``. To add a test, first create a test directory with a name in ``PeleC/Testing/test_files/``. Place an ``exe_options.cmake`` file in the directory, using others tests as an example. Place the input file for the test as ``PeleC/Testing/test_files/.i`` and a "probin" file as ``PeleC/Testing/test_files/.probin``, along with any other files necessary for the test. Any file in the test directory will be copied during CMake configure to the test's working directory. Next, edit the ``PeleC/Testing/CTestList.cmake`` file, add the test to the list, and specify the number of MPI ranks the test should be run with. Note there are different categories of tests and if your test falls outside of these categories, a new function to add the test will need to be created. After these steps, your test will be automatically added to the test suite database when doing the CMake configure with the testing suite enabled. +Developers are encouraged to add tests to PeleC and in this section we describe how the tests are organized in the CTest framework. The locations of the tests are in ``PeleC/Tests``. To add a test, first create a test directory with a name in ``PeleC/ExecCpp//tests/``. Place the input file for the test as ``PeleC/Tests//tests//.i`` along with any other files necessary for the test. Any file in the test directory will be copied during CMake configure to the test's working directory. Next, edit the ``PeleC/Tests/CMakeLists.txt`` file, add the test to the list. Note there are different categories of tests and if your test falls outside of these categories, a new function to add the test will need to be created. After these steps, your test will be automatically added to the test suite database when doing the CMake configure with the testing suite enabled. diff --git a/Docs/sphinx_doc/tutorials.rst b/Docs/sphinx_doc/tutorials.rst index c34ddf58e..450e93c77 100644 --- a/Docs/sphinx_doc/tutorials.rst +++ b/Docs/sphinx_doc/tutorials.rst @@ -1,16 +1,13 @@ .. role:: cpp(code) :language: c++ - .. role:: fortran(code) - :language: fortran - .. _Tutorials: Tutorials --------- -The several cases in the *Exec/Tutorials* directory are a good starting point for setting up a new PeleC case. In addition, there are several `tutorials from AMReX `_ that may be useful for general familiarity with how to build and run AMReX codes. +The several cases in the *ExecCpp/Tutorials* directory are a good starting point for setting up a new PeleC case. In addition, there are several `tutorials from AMReX `_ that may be useful for general familiarity with how to build and run AMReX codes. EB_Sphere ~~~~~~~~~ diff --git a/Exec/Make.PeleC b/Exec/Make.PeleC index c6cb51d1b..e83fb8206 100644 --- a/Exec/Make.PeleC +++ b/Exec/Make.PeleC @@ -49,12 +49,16 @@ ifeq ($(HYP_TYPE), MOL) endif # EOS +# Both Fortran and cpp can be loaded for EOS +EOS_HOME_F90 := $(EOS_HOME)/F90 EOS_PATH := $(EOS_HOME)/$(strip $(Eos_dir)) -include $(EOS_HOME)/Make.package +EOS_PATH_F90 := $(EOS_PATH)/F90 +include $(EOS_HOME_F90)/Make.package include $(EOS_PATH)/Make.package -EXTERN_CORE += $(EOS_HOME) $(EOS_PATH) -INCLUDE_LOCATIONS += $(EOS_HOME) $(EOS_PATH) -VPATH_LOCATIONS += $(EOS_HOME) $(EOS_PATH) +include $(EOS_PATH_F90)/Make.package +EXTERN_CORE += $(EOS_HOME_F90) $(EOS_PATH_F90) +INCLUDE_LOCATIONS += $(EOS_HOME) $(EOS_HOME_F90) $(EOS_PATH) $(EOS_PATH_F90) +VPATH_LOCATIONS += $(EOS_HOME) $(EOS_HOME_F90) $(EOS_PATH) $(EOS_PATH_F90) ifeq ($(Eos_dir), Fuego) TRANSPORT_TYPE := IDEAL_GAS else @@ -69,13 +73,19 @@ endif ifeq ($(USE_SUNDIALS_PP),TRUE) include $(PELE_PHYSICS_HOME)/ThirdParty/Make.ThirdParty endif +REACTIONS_HOME_F90 := $(REACTIONS_HOME)/F90 REACTIONS_PATH := $(REACTIONS_HOME)/$(strip $(Reactions_dir)) -include $(REACTIONS_HOME)/Make.package +REACTIONS_PATH_F90 := $(REACTIONS_PATH)/F90 include $(REACTIONS_PATH)/Make.package -EXTERN_CORE += $(REACTIONS_HOME) $(REACTIONS_PATH) -INCLUDE_LOCATIONS += $(REACTIONS_HOME) $(REACTIONS_PATH) -VPATH_LOCATIONS += $(REACTIONS_HOME) $(REACTIONS_PATH) -ifdef Chemistry_Model +EXTERN_CORE += $(REACTIONS_HOME_F90) $(REACTIONS_PATH_F90) +INCLUDE_LOCATIONS += $(REACTIONS_HOME) $(REACTIONS_HOME_F90) $(REACTIONS_PATH) $(REACTIONS_PATH_F90) +VPATH_LOCATIONS += $(REACTIONS_HOME) $(REACTIONS_HOME_F90) $(REACTIONS_PATH) $(REACTIONS_PATH_F90) +#ifdef Chemistry_Model + ifeq ($(Eos_dir), GammaLaw) + ifneq ($(Chemistry_Model), Null) + $(error Chemistry_Model definition not compatible with Eos_Dir=GammaLaw) + endif + endif CHEM_HOME = $(PELE_PHYSICS_HOME)/Support/Fuego/Mechanism/Models/$(Chemistry_Model) CHEM_ALL = $(PELE_PHYSICS_HOME)/Support/Fuego/Mechanism/Models VPATH_LOCATIONS += $(CHEM_HOME) $(CHEM_ALL) @@ -83,22 +93,23 @@ ifdef Chemistry_Model $(CHEM_ALL)/Make.package Blocs += $(CHEM_HOME) $(CHEM_ALL) - CHEM_HOME1 = $(PELE_PHYSICS_HOME)/Support/Fuego/Mechanism - VPATH_LOCATIONS += $(CHEM_HOME1) - Bpack += $(CHEM_HOME1)/Make.package - Blocs += $(CHEM_HOME1) - Bpack += $(PELE_PHYSICS_HOME)/Support/Fuego/Evaluation/Make.package - Blocs += $(PELE_PHYSICS_HOME)/Support/Fuego/Evaluation -endif + Blocs += $(PELE_PHYSICS_HOME)/Support/Fuego/Mechanism \ + $(PELE_PHYSICS_HOME)/Support/Fuego/Evaluation +#endif # Transport +TRAN_HOME_F90 := $(TRAN_HOME)/F90 TRAN_PATH := $(TRAN_HOME)/$(strip $(Transport_dir)) -include $(TRAN_HOME)/Make.package -include $(TRAN_PATH)/Make.package -EXTERN_CORE += $(TRAN_HOME) $(TRAN_PATH) -INCLUDE_LOCATIONS += $(TRAN_HOME) $(TRAN_PATH) -VPATH_LOCATIONS += $(TRAN_HOME) $(TRAN_PATH) +TRAN_PATH_F90 := $(TRAN_PATH)/F90 +# Put inside an if use FORTRAN later +include $(TRAN_HOME_F90)/Make.package +include $(TRAN_PATH_F90)/Make.package +# CPP TRANSPORT NOT USED RIGHT NOW +#include $(TRAN_PATH)/Make.package +EXTERN_CORE += $(TRAN_HOME_F90) $(TRAN_PATH_F90) +INCLUDE_LOCATIONS += $(TRAN_HOME_F90) $(TRAN_PATH_F90) +VPATH_LOCATIONS += $(TRAN_HOME_F90) $(TRAN_PATH_F90) USE_FUEGO = FALSE ifeq ($(Transport_dir), EGLib) USE_FUEGO = TRUE diff --git a/Exec/RegTests/PMF/Prob_nd.F90 b/Exec/RegTests/PMF/Prob_nd.F90 index 0c2a3c99a..7dfd20672 100644 --- a/Exec/RegTests/PMF/Prob_nd.F90 +++ b/Exec/RegTests/PMF/Prob_nd.F90 @@ -91,7 +91,7 @@ subroutine pc_initdata(level,time,lo,hi,nvar, & use meth_params_module, only : URHO, UMX, UMY, UMZ, UEINT, UEDEN, UTEMP, UFS use prob_params_module, only : problo, dim use eos_module - use network, only: nspecies + use fuego_chemistry, only: nspecies use amrex_constants_module, only: M_PI, HALF implicit none diff --git a/Exec/RegTests/PMF/bc_fill_nd.F90 b/Exec/RegTests/PMF/bc_fill_nd.F90 index cad2cede6..0aa1c3856 100644 --- a/Exec/RegTests/PMF/bc_fill_nd.F90 +++ b/Exec/RegTests/PMF/bc_fill_nd.F90 @@ -133,7 +133,7 @@ subroutine bcnormal(x,u_int,u_ext,dir,sgn,time,bc_type,bc_params,bc_target) use eos_type_module use eos_module use meth_params_module, only : URHO, UMX, UMY, UMZ, UTEMP, UEDEN, UEINT, UFS, NVAR - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use prob_params_module, only : Interior, Inflow, Outflow, SlipWall, NoSlipWall, & problo, probhi, dim diff --git a/Exec/RegTests/PMF/pmf_generic.f90 b/Exec/RegTests/PMF/pmf_generic.f90 index 25f9942d3..264de9930 100644 --- a/Exec/RegTests/PMF/pmf_generic.f90 +++ b/Exec/RegTests/PMF/pmf_generic.f90 @@ -287,7 +287,7 @@ end module pmf_module subroutine initialize_pmf(filename) use pmf_module - use chemistry_module, only : nspecies, get_species_index + use fuego_chemistry, only : nspecies, get_species_index character (len=*) :: filename integer :: n pmf_filename = filename diff --git a/Exec/RegTests/PMF/probdata.f90 b/Exec/RegTests/PMF/probdata.f90 index f0047d69d..7e92d607b 100644 --- a/Exec/RegTests/PMF/probdata.f90 +++ b/Exec/RegTests/PMF/probdata.f90 @@ -33,7 +33,7 @@ module probdata_module subroutine init_bc use meth_params_module, only : NVAR, URHO, UMX, UMY, UMZ, UEINT, UEDEN, UTEMP, UFS - use chemistry_module, only : nspecies, get_species_index + use fuego_chemistry, only : nspecies, get_species_index use eos_type_module implicit none diff --git a/Exec/RegTests/TG/GNUmakefile b/Exec/RegTests/TG/GNUmakefile index e6fa32920..16c58b34a 100644 --- a/Exec/RegTests/TG/GNUmakefile +++ b/Exec/RegTests/TG/GNUmakefile @@ -15,11 +15,13 @@ USE_OMP = FALSE Eos_dir := GammaLaw # This sets the network directory in $(PELE_PHYSICS_HOME)/Reactions -Reactions_dir := Null +Reactions_dir := Fuego # This sets the transport directory in $(PELE_PHYSICS_HOME)/Transport Transport_dir := Constant +Chemistry_Model := Null + Bpack := ./Make.package # define the location of the PELE top directory diff --git a/Exec/RegTests/TG/Prob_nd.F90 b/Exec/RegTests/TG/Prob_nd.F90 index 7185d5749..a4f10ef48 100644 --- a/Exec/RegTests/TG/Prob_nd.F90 +++ b/Exec/RegTests/TG/Prob_nd.F90 @@ -84,7 +84,7 @@ subroutine pc_initdata(level,time,lo,hi,nvar, & use amrex_paralleldescriptor_module, only: amrex_pd_ioprocessor use probdata_module - use network, only: nspecies, naux, molec_wt + use fuego_chemistry, only: nspecies, naux, molecular_weight use eos_type_module use meth_params_module, only : URHO, UMX, UMY, UMZ, & UEDEN, UEINT, UFS, UTEMP, small_temp @@ -112,7 +112,7 @@ subroutine pc_initdata(level,time,lo,hi,nvar, & call build(eos_state) ! Define the molecular weight for air - molec_wt = 28.97 + molecular_weight = 28.97 ! Define the length scale L = 1.d0/M_PI diff --git a/Exec/RegTests/TG/probin b/Exec/RegTests/TG/probin index 63b014e91..4253596c7 100644 --- a/Exec/RegTests/TG/probin +++ b/Exec/RegTests/TG/probin @@ -22,4 +22,5 @@ &extern eos_gamma = 1.4 + mwt_scalar = 28.97 / diff --git a/ExecCpp/CMakeLists.txt b/ExecCpp/CMakeLists.txt new file mode 100644 index 000000000..d30a28711 --- /dev/null +++ b/ExecCpp/CMakeLists.txt @@ -0,0 +1,5 @@ +add_subdirectory(RegTests) +if(PELEC_ENABLE_TESTS) + add_subdirectory(UnitTests) +endif() +#add_subdirectory(Tutorials) diff --git a/ExecCpp/Make.PeleC b/ExecCpp/Make.PeleC new file mode 100644 index 000000000..041ca7741 --- /dev/null +++ b/ExecCpp/Make.PeleC @@ -0,0 +1,159 @@ +PELEC_HOME ?= ../ +PELE_PHYSICS_HOME ?= $(PELEC_HOME)/Submodules/PelePhysics +AMREX_HOME ?= $(PELEC_HOME)/Submodules/AMReX + +TOP := $(PELEC_HOME) + +EBASE = PeleC + +# EXTERN_CORE is simply a list of the directories we use in Eos, Reactions, Transport and Util +# this list will be searched for runtime parameters +EXTERN_CORE ?= + +# Ignore loops not vectorizing in amrex +ifeq ($(COMP), llvm) + DEFINES += -Wno-pass-failed +endif + +#Turn off all fortran in amrex +ifneq ($(USE_MASA), TRUE) + BL_NO_FORT = TRUE +endif + +#sundials stuff +ifeq ($(USE_SUNDIALS_PP), TRUE) + USE_ARKODE_PP=TRUE + ifeq ($(USE_CUDA), TRUE) + USE_CUDA_SUNDIALS_PP = TRUE + endif + include $(PELE_PHYSICS_HOME)/ThirdParty/Make.ThirdParty +endif + +include $(AMREX_HOME)/Tools/GNUMake/Make.defs + +# PeleC uses a coarse grained OMP approach +DEFINES += -DCRSEGRNDOMP + +ifeq ($(USE_REACT), TRUE) + DEFINES += -DPELEC_USE_REACTIONS +endif + +ifeq ($(USE_EB), TRUE) + DEFINES += -DPELEC_USE_EB + ifneq ($(DIM), 3) + $(error EB requires 3D) + endif +endif + +all: $(executable) + $(SILENT) $(RM) AMReX_buildInfo.cpp + @echo SUCCESS + +# EOS +ifeq ($(Eos_dir),$(filter $(Eos_dir),Fuego)) + EOS_HOME = $(PELE_PHYSICS_HOME)/Eos/Fuego +else + EOS_HOME = $(PELE_PHYSICS_HOME)/Eos/GammaLaw +endif +EXTERN_CORE += $(EOS_HOME) +INCLUDE_LOCATIONS += $(EOS_HOME) +VPATH_LOCATIONS += $(EOS_HOME) +Bpack += $(EOS_HOME)/Make.package +Blocs += $(EOS_HOME) + +# Reactions +REACTIONS_HOME = $(PELE_PHYSICS_HOME)/Reactions +EXTERN_CORE += $(REACTIONS_HOME) +INCLUDE_LOCATIONS += $(REACTIONS_HOME) +VPATH_LOCATIONS += $(REACTIONS_HOME) +ifdef Chemistry_Model + USE_FUEGO = TRUE + DEFINES += -DPELEC_EOS_FUEGO + CHEM_HOME = $(PELE_PHYSICS_HOME)/Support/Fuego/Mechanism/Models/$(Chemistry_Model) + Blocs += $(PELE_PHYSICS_HOME)/Support/Fuego/Evaluation +else + CHEM_HOME = $(PELE_PHYSICS_HOME)/Support/Fuego/Mechanism/Models/Null +endif +VPATH_LOCATIONS += $(CHEM_HOME) +Bpack += $(CHEM_HOME)/Make.package +Blocs += $(CHEM_HOME) + +#sundials stuff +ifeq ($(USE_SUNDIALS_PP), TRUE) + Blocs += $(REACTIONS_HOME)/Fuego + Bpack += $(REACTIONS_HOME)/Fuego/Make.package +endif + +# Transport +ifeq ($(Transport_dir), Simple) + TRANSPORT_HOME = $(PELE_PHYSICS_HOME)/Transport/Simple +endif +ifeq ($(Transport_dir), Constant) + TRANSPORT_HOME = $(PELE_PHYSICS_HOME)/Transport/Constant +endif +EXTERN_CORE += $(TRANSPORT_HOME) +INCLUDE_LOCATIONS += $(TRANSPORT_HOME) +VPATH_LOCATIONS += $(TRANSPORT_HOME) +Bpack += $(TRANSPORT_HOME)/Make.package +Blocs += $(TRANSPORT_HOME) + +Bdirs := SourceCpp SourceCpp/Params/param_includes + +Pdirs := Base Amr Boundary AmrCore +ifeq ($(USE_EB), TRUE) + Pdirs += EB +endif + +ifeq ($(USE_PARTICLES), TRUE) + DEFINES+=-DAMREX_PARTICLES + Pdirs += Particle + DEFINES+=-DSPRAY_FUEL_NUM=$(SPRAY_FUEL_NUM) + ifeq ($(USE_SPRAY_SOA), TRUE) + DEFINES+=-DUSE_SPRAY_SOA + endif + Bpack += $(PELEC_MP_HOME)/Source/PP_Spray/Make.package + Blocs += $(PELEC_MP_HOME)/Source/PP_Spray + INCLUDE_LOCATIONS += $(AMREX_HOME)/Src/Particle + VPATH_LOCATIONS += $(AMREX_HOME)/Src/Particle +endif + +Bpack += $(foreach dir, $(Pdirs), $(AMREX_HOME)/Src/$(dir)/Make.package) +Blocs += $(foreach dir, $(Pdirs), $(AMREX_HOME)/Src/$(dir)) + +Bpack += $(foreach dir, $(Bdirs), $(TOP)/$(dir)/Make.package) +Blocs += $(foreach dir, $(Bdirs), $(TOP)/$(dir)) + +$(info $${Blocs} is [${Blocs}]) + +include $(Bpack) + +INCLUDE_LOCATIONS += $(Blocs) +VPATH_LOCATIONS += $(Blocs) + +CEXE_sources += AMReX_buildInfo.cpp +CEXE_headers += $(AMREX_HOME)/Tools/C_scripts/AMReX_buildInfo.H +INCLUDE_LOCATIONS += $(AMREX_HOME)/Tools/C_scripts + +ifdef Chemistry_Model + MNAMES += CHEMISTRY=$(Chemistry_Model) +endif + +AMReX_buildInfo.cpp: + $(AMREX_HOME)/Tools/C_scripts/makebuildinfo_C.py \ + --amrex_home "$(AMREX_HOME)" \ + --COMP "$(COMP)" --COMP_VERSION "$(COMP_VERSION)" \ + --FCOMP "$(FCOMP)" --FCOMP_VERSION "$(FCOMP_VERSION)" \ + --MODULES "$(MNAMES)" \ + --GIT "$(TOP) $(AMREX_HOME) $(PELE_PHYSICS_HOME)" + +include $(AMREX_HOME)/Tools/GNUMake/Make.rules + +clean:: + $(SILENT) $(RM) extern.f90 + $(SILENT) $(RM) AMReX_buildInfo.cpp + +#----------------------------------------------------------------------------- +# for debugging. To see the value of a Makefile variable, +# e.g. Fmlocs, simply do "make print-Fmlocs". This will +# print out the value. +print-%: ; @echo $* is $($*) ; $(SILENT) $(RM) AMReX_buildInfo.cpp diff --git a/ExecCpp/RegTests/CMakeLists.txt b/ExecCpp/RegTests/CMakeLists.txt new file mode 100644 index 000000000..a9293d86d --- /dev/null +++ b/ExecCpp/RegTests/CMakeLists.txt @@ -0,0 +1,13 @@ +add_subdirectory(HIT) +add_subdirectory(MultiSpecSod) +add_subdirectory(PMF) +add_subdirectory(Sedov) +add_subdirectory(Sod) +add_subdirectory(TG) +add_subdirectory(zeroD) +if(PELEC_ENABLE_MASA) + add_subdirectory(MMS) + if(PELEC_ENABLE_AMREX_EB) + add_subdirectory(EB_MMS) + endif() +endif() diff --git a/ExecCpp/RegTests/EB_MMS/CMakeLists.txt b/ExecCpp/RegTests/EB_MMS/CMakeLists.txt new file mode 100644 index 000000000..0c3f68ec8 --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_EB_MMS) + +#Compile-time options for executable +set(PELEC_ENABLE_EB ON) +set(PELEC_ENABLE_REACTIONS OFF) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL GammaLaw) +set(PELEC_REACTIONS_MODEL Null) +set(PELEC_CHEMISTRY_MODEL Null) +set(PELEC_TRANSPORT_MODEL Constant) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/EB_MMS/GNUmakefile b/ExecCpp/RegTests/EB_MMS/GNUmakefile new file mode 100644 index 000000000..3f32200ea --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/GNUmakefile @@ -0,0 +1,46 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = FALSE +USE_EB = TRUE +Eos_dir := GammaLaw +Reactions_dir := Null +Transport_dir := Constant + +# MASA +USE_MASA = TRUE +ifeq ($(USE_MASA), TRUE) + INCLUDE_LOCATIONS += ${MASA_HOME}/include ${MASA_HOME}/lib + LIBRARY_LOCATIONS += ${MASA_HOME}/lib + LIBRARIES += -Wl,-rpath,${MASA_HOME}/lib -lmasa -lfmasa + DEFINES += -DPELEC_USE_MASA -DDO_PROBLEM_POST_TIMESTEP -DDO_PROBLEM_POST_INIT +endif + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/EB_MMS/Make.package b/ExecCpp/RegTests/EB_MMS/Make.package new file mode 100644 index 000000000..f662d374c --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/Make.package @@ -0,0 +1,4 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp + diff --git a/ExecCpp/RegTests/EB_MMS/README.md b/ExecCpp/RegTests/EB_MMS/README.md new file mode 100644 index 000000000..753903f78 --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/README.md @@ -0,0 +1,4 @@ +# Method of Manufactured Solutions for Embedded Boundaries + +This is an MMS around a sphere using embedded boundaries. See `MMS` +readme for more details on using and running diff --git a/ExecCpp/RegTests/EB_MMS/inputs_ex b/ExecCpp/RegTests/EB_MMS/inputs_ex new file mode 100644 index 000000000..d70a90c85 --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/inputs_ex @@ -0,0 +1,79 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000000 +stop_time = 0.000005 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = -1.0 -1.0 -1.0 +geometry.prob_hi = 1.0 1.0 1.0 +# use with single level +#amr.n_cell = 8 8 8 +#amr.n_cell = 16 16 16 +amr.n_cell = 32 32 32 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# 0 = Interior 3 = Symmetry +# 1 = Inflow 4 = SlipWall +# 2 = Outflow 5 = NoSlipWall +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +pelec.lo_bc = "Hard" "Hard" "Hard" +pelec.hi_bc = "Hard" "Hard" "Hard" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.do_mol = 1 +pelec.do_react = 0 +pelec.do_mms = 1 +pelec.masa_solution_name = "ad_cns_3d_les_sph" +pelec.allow_negative_energy = 0 + +# TIME STEP CONTROL +pelec.cfl = 0.1 # cfl number for hyperbolic system +pelec.init_shrink = 0.3 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog mmslog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +#amr.max_level = 1 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 1000 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 1 +amr.plot_file = plt # root name of plotfile +amr.plot_int = 1000 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror vfrac + +# PROBLEM PARAMETERS + +# EB +#eb2.geom_type = all_regular +eb2.geom_type = sphere +eb2.sphere_radius = 0.25 +eb2.sphere_center = 0.0 0.0 0.0 +eb2.sphere_has_fluid_inside = 0 +pelec.eb_boundary_T = 300. +pelec.eb_isothermal = 1 +ebd.boundary_grad_stencil_type=0 +fabarray.mfiter_tile_size = 1024 1024 1024 +#fabarray.mfiter_tile_size = 1024 8 8 \ No newline at end of file diff --git a/ExecCpp/RegTests/EB_MMS/prob.H b/ExecCpp/RegTests/EB_MMS/prob.H new file mode 100644 index 000000000..06e66f9f9 --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/prob.H @@ -0,0 +1,111 @@ +#ifndef PROB_H_ +#define PROB_H_ + +#include +#include +#include +#include + +#ifdef PELEC_USE_MASA +#include +using namespace MASA; +#endif + +#include "mechanism.h" + +#include "PeleC.H" +#include "IndexDefines.H" +#include "EOS.H" +#include "Transport.H" +#include "Constants.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + masa_set_param("deltabar", dx[0]); + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + // Get state from MASA + const amrex::Real rho = masa_eval_3d_exact_rho(x, y, z); + const amrex::Real u[3] = { + masa_eval_3d_exact_u(x, y, z), masa_eval_3d_exact_v(x, y, z), + masa_eval_3d_exact_w(x, y, z)}; + const amrex::Real p = masa_eval_3d_exact_p(x, y, z); + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + + amrex::Real eint, T; + EOS::RYP2E(rho, massfrac, p, eint); + EOS::EY2T(eint, massfrac, T); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = T; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = rho * massfrac[n]; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + const amrex::Real rho = masa_eval_3d_exact_rho(x[0], x[1], x[2]); + const amrex::Real u[3] = { + masa_eval_3d_exact_u(x[0], x[1], x[2]), + masa_eval_3d_exact_v(x[0], x[1], x[2]), + masa_eval_3d_exact_w(x[0], x[1], x[2])}; + const amrex::Real p = masa_eval_3d_exact_p(x[0], x[1], x[2]); + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + + amrex::Real eint, T; + EOS::RYP2E(rho, massfrac, p, eint); + EOS::EY2T(eint, massfrac, T); + + // Set the external state + s_ext[URHO] = rho; + s_ext[UMX] = rho * u[0]; + s_ext[UMY] = rho * u[1]; + s_ext[UMZ] = rho * u[2]; + s_ext[UEINT] = rho * eint; + s_ext[UEDEN] = rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + s_ext[UTEMP] = T; + for (int n = 0; n < NUM_SPECIES; n++) + s_ext[UFS + n] = rho * massfrac[n]; +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/EB_MMS/prob.cpp b/ExecCpp/RegTests/EB_MMS/prob.cpp new file mode 100644 index 000000000..3b857f7fc --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/prob.cpp @@ -0,0 +1,312 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real mach = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_x_fact = 0.1; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_y_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_z_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u_0_fact = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real v_0_fact = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real w_0_fact = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u_r_fact = 0.1; +AMREX_GPU_DEVICE_MANAGED amrex::Real v_r_fact = 0.1; +AMREX_GPU_DEVICE_MANAGED amrex::Real w_r_fact = 0.1; +AMREX_GPU_DEVICE_MANAGED amrex::Real p_r_fact = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhox = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoy = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoz = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_ur = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_vr = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_wr = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_pr = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_x = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_y = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_z = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p0 = 1.013e6; // [erg cm^-3] +AMREX_GPU_DEVICE_MANAGED amrex::Real T0 = 300.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u0 = 0.0; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + + // Parse params + amrex::ParmParse pp("prob"); + pp.query("reynolds", ProbParm::reynolds); + pp.query("mach", ProbParm::mach); + pp.query("prandtl", ProbParm::prandtl); + pp.query("rho_x_fact", ProbParm::rho_x_fact); + pp.query("rho_y_fact", ProbParm::rho_y_fact); + pp.query("rho_z_fact", ProbParm::rho_z_fact); + pp.query("u_0_fact", ProbParm::u_0_fact); + pp.query("v_0_fact", ProbParm::v_0_fact); + pp.query("w_0_fact", ProbParm::w_0_fact); + pp.query("u_r_fact", ProbParm::u_r_fact); + pp.query("v_r_fact", ProbParm::v_r_fact); + pp.query("w_r_fact", ProbParm::w_r_fact); + pp.query("p_r_fact", ProbParm::p_r_fact); + pp.query("a_rhox", ProbParm::a_rhox); + pp.query("a_rhoy", ProbParm::a_rhoy); + pp.query("a_rhoz", ProbParm::a_rhoz); + pp.query("a_ux", ProbParm::a_ur); + pp.query("a_ux", ProbParm::a_vr); + pp.query("a_ux", ProbParm::a_wr); + pp.query("a_ux", ProbParm::a_pr); + + // Define the length scale + ProbParm::L_x = probhi[0] - problo[0]; + ProbParm::L_y = probhi[1] - problo[1]; + ProbParm::L_z = probhi[2] - problo[2]; + + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + EOS::PYT2RE(ProbParm::p0, massfrac, ProbParm::T0, ProbParm::rho0, eint); + EOS::RTY2Cs(ProbParm::rho0, ProbParm::T0, massfrac, cs); + EOS::TY2Cp(ProbParm::T0, massfrac, cp); + + ProbParm::u0 = ProbParm::mach * cs; + transport_params::const_bulk_viscosity = + ProbParm::rho0 * ProbParm::u0 * ProbParm::L_x / ProbParm::reynolds; + transport_params::const_diffusivity = 0.0; + transport_params::const_viscosity = + ProbParm::rho0 * ProbParm::u0 * ProbParm::L_x / ProbParm::reynolds; + transport_params::const_conductivity = + transport_params::const_viscosity * cp / ProbParm::prandtl; + + // clang-format off + // MASA parameters for the following functions + // rho = rho_0 + rho_x * cos(a_rhox * PI * x / L) * rho_y * cos(a_rhoy * PI * y / L) * rho_z * cos(a_rhoz * PI * z / L); + // u = u_0 + u_r * cos(a_ux * PI * r / L) + // v = v_0 + v_r * cos(a_vx * PI * r / L) + // w = w_0 + w_r * cos(a_wx * PI * r / L) + // p = p_0 + p_r * cos(a_px * PI * r / L) + // clang-format on + masa_set_param("L", ProbParm::L_x); + masa_set_param("R", EOS::RU); + masa_set_param("k", transport_params::const_conductivity); + masa_set_param("Gamma", EOS::gamma); + masa_set_param("mu", transport_params::const_viscosity); + masa_set_param("mu_bulk", transport_params::const_bulk_viscosity); + masa_set_param("rho_0", ProbParm::rho0); + masa_set_param("rho_x", ProbParm::rho_x_fact * ProbParm::rho0); + masa_set_param("rho_y", ProbParm::rho_y_fact); + masa_set_param("rho_z", ProbParm::rho_z_fact); + masa_set_param("u_0", ProbParm::u_0_fact * ProbParm::u0); + masa_set_param("v_0", ProbParm::v_0_fact * ProbParm::u0); + masa_set_param("w_0", ProbParm::w_0_fact * ProbParm::u0); + masa_set_param("p_0", ProbParm::p0); + masa_set_param("u_r", ProbParm::u_r_fact * ProbParm::u0); + masa_set_param("v_r", ProbParm::v_r_fact * ProbParm::u0); + masa_set_param("w_r", ProbParm::w_r_fact * ProbParm::u0); + masa_set_param("p_r", ProbParm::p_r_fact * ProbParm::p0); + masa_set_param("a_rhox", ProbParm::a_rhox); + masa_set_param("a_rhoy", ProbParm::a_rhoy); + masa_set_param("a_rhoz", ProbParm::a_rhoz); + masa_set_param("a_ur", ProbParm::a_ur); + masa_set_param("a_vr", ProbParm::a_vr); + masa_set_param("a_wr", ProbParm::a_wr); + masa_set_param("a_pr", ProbParm::a_pr); + + // Display and check + if (amrex::ParallelDescriptor::IOProcessor()) { + masa_display_param(); + } + masa_sanity_check(); +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ + + if ((verbose <= 0) || (!do_mms)) + return; + + bool local_flag = true; + + int finest_level = parent->finestLevel(); + amrex::Real time = state[State_Type].curTime(); + amrex::Real rho_mms_err = 0.0; + amrex::Real u_mms_err = 0.0; + amrex::Real v_mms_err = 0.0; + amrex::Real w_mms_err = 0.0; + amrex::Real p_mms_err = 0.0; + amrex::Real rho_residual = 0.0; + amrex::Real rhou_residual = 0.0; + amrex::Real rhov_residual = 0.0; + amrex::Real rhow_residual = 0.0; + amrex::Real rhoE_residual = 0.0; + int datwidth = 14; + int datprecision = 6; + +#ifdef PELEC_USE_MASA + if (level == 0) { + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "... MMS problem post timestep" << std::endl; + } + + // Calculate the errors and residuals + for (int lev = 0; lev <= finest_level; lev++) { + PeleC& pc_lev = getLevel(lev); + + rho_mms_err += pc_lev.volWgtSquaredSum("rhommserror", time, local_flag); + u_mms_err += pc_lev.volWgtSquaredSum("ummserror", time, local_flag); + v_mms_err += pc_lev.volWgtSquaredSum("vmmserror", time, local_flag); + w_mms_err += pc_lev.volWgtSquaredSum("wmmserror", time, local_flag); + p_mms_err += pc_lev.volWgtSquaredSum("pmmserror", time, local_flag); + + rho_residual += pc_lev.volWgtSquaredSumDiff(Density, time, local_flag); + rhou_residual += pc_lev.volWgtSquaredSumDiff(Xmom, time, local_flag); + rhov_residual += pc_lev.volWgtSquaredSumDiff(Ymom, time, local_flag); + rhow_residual += pc_lev.volWgtSquaredSumDiff(Zmom, time, local_flag); + rhoE_residual += pc_lev.volWgtSquaredSumDiff(Eden, time, local_flag); + } + + // Reductions + amrex::ParallelDescriptor::ReduceRealSum( + &rho_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &u_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &v_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &w_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &p_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &rho_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &rhou_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &rhov_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &rhow_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &rhoE_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + + // Get the norm and normalize it + amrex::Real V = volume.sum(0, false); + rho_mms_err = std::sqrt(rho_mms_err / V); + u_mms_err = std::sqrt(u_mms_err / V); + v_mms_err = std::sqrt(v_mms_err / V); + w_mms_err = std::sqrt(w_mms_err / V); + p_mms_err = std::sqrt(p_mms_err / V); + rho_residual = std::sqrt(rho_residual / V); + rhou_residual = std::sqrt(rhou_residual / V); + rhov_residual = std::sqrt(rhov_residual / V); + rhow_residual = std::sqrt(rhow_residual / V); + rhoE_residual = std::sqrt(rhoE_residual / V); + + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "TIME= " << time << " RHO MMS ERROR = " << rho_mms_err + << '\n'; + amrex::Print() << "TIME= " << time << " U MMS ERROR = " << u_mms_err + << '\n'; + amrex::Print() << "TIME= " << time << " V MMS ERROR = " << v_mms_err + << '\n'; + amrex::Print() << "TIME= " << time << " W MMS ERROR = " << w_mms_err + << '\n'; + amrex::Print() << "TIME= " << time << " P MMS ERROR = " << p_mms_err + << '\n'; + amrex::Print() << "TIME= " << time << " RHO RESIDUAL = " << rho_residual + << '\n'; + amrex::Print() << "TIME= " << time + << " RHO*U RESIDUAL = " << rhou_residual << '\n'; + amrex::Print() << "TIME= " << time + << " RHO*V RESIDUAL = " << rhov_residual << '\n'; + amrex::Print() << "TIME= " << time + << " RHO*W RESIDUAL = " << rhow_residual << '\n'; + amrex::Print() << "TIME= " << time + << " RHO*E RESIDUAL = " << rhoE_residual << '\n'; + + if (parent->NumDataLogs() > 1) { + + std::ostream& data_log2 = parent->DataLog(1); + + // Write the quantities at this time + data_log2 << std::setw(datwidth) << time; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rho_mms_err; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << u_mms_err; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << v_mms_err; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << w_mms_err; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << p_mms_err; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rho_residual; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhou_residual; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhov_residual; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhow_residual; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhoE_residual; + data_log2 << std::endl; + } + } + } + +#else + Error("MASA is not turned on. Turn on with USE_MASA=TRUE."); +#endif +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ + + if ((verbose <= 0) || (!do_mms)) + return; + + amrex::Real time = state[State_Type].curTime(); + int datwidth = 14; + int datprecision = 6; + + if (level == 0) { + if (amrex::ParallelDescriptor::IOProcessor()) { + + if (parent->NumDataLogs() > 1) { + + std::ostream& data_log2 = parent->DataLog(1); + if (time == 0.0) { + data_log2 << std::setw(datwidth) << " time"; + data_log2 << std::setw(datwidth) << " rho_mms_err"; + data_log2 << std::setw(datwidth) << " u_mms_err"; + data_log2 << std::setw(datwidth) << " v_mms_err"; + data_log2 << std::setw(datwidth) << " w_mms_err"; + data_log2 << std::setw(datwidth) << " p_mms_err"; + data_log2 << std::setw(datwidth) << " rho_residual"; + data_log2 << std::setw(datwidth) << " rhou_residual"; + data_log2 << std::setw(datwidth) << " rhov_residual"; + data_log2 << std::setw(datwidth) << " rhow_residual"; + data_log2 << std::setw(datwidth) << " rhoE_residual"; + data_log2 << std::endl; + } + } + } + } +} +#endif diff --git a/ExecCpp/RegTests/EB_MMS/prob_parm.H b/ExecCpp/RegTests/EB_MMS/prob_parm.H new file mode 100644 index 000000000..fafa0992c --- /dev/null +++ b/ExecCpp/RegTests/EB_MMS/prob_parm.H @@ -0,0 +1,37 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real mach; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_x_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_y_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_z_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_0_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v_0_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real w_0_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_r_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v_r_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real w_r_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_r_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhox; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoy; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoz; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_ur; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_vr; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_wr; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_pr; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_x; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_y; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_z; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u0; +} // namespace ProbParm + +#endif diff --git a/Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.i b/ExecCpp/RegTests/EB_MMS/tests/eb-symmetry/eb-symmetry.i similarity index 94% rename from Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.i rename to ExecCpp/RegTests/EB_MMS/tests/eb-symmetry/eb-symmetry.i index 2e07230c9..10eb35506 100644 --- a/Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.i +++ b/ExecCpp/RegTests/EB_MMS/tests/eb-symmetry/eb-symmetry.i @@ -22,7 +22,7 @@ pelec.hi_bc = "Hard" "Hard" "Hard" pelec.do_hydro = 1 pelec.diffuse_vel = 1 pelec.diffuse_temp = 1 -pelec.do_mol_AD = 1 +pelec.do_mol = 1 pelec.do_react = 0 pelec.do_mms = 1 pelec.masa_solution_name = ad_cns_3d_les_sph @@ -47,7 +47,7 @@ amr.max_level = 0 # maximum level number allowed amr.ref_ratio = 2 2 2 2 # refinement ratio amr.regrid_int = 2 2 2 2 # how often to regrid amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 +amr.max_grid_size = 8 amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est # CHECKPOINT FILES @@ -60,8 +60,8 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror vfrac -#PROBIN FILENAME -amr.probin_file = cns_no_amr_eb_3d.probin +# PROBLEM PARAMETERS +prob.rho_x_fact = 0.0 # EB eb2.geom_type = sphere @@ -70,5 +70,7 @@ eb2.sphere_center = 0.0 0.0 0.0 eb2.sphere_has_fluid_inside = 0 pelec.eb_isothermal = 0 eb_verbosity = 1 -eos_gamma = 1.4 ebd.boundary_grad_stencil_type=0 + +# Tiling +fabarray.mfiter_tile_size = 1024 1024 1024 diff --git a/Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.py b/ExecCpp/RegTests/EB_MMS/tests/eb-symmetry/eb-symmetry.py similarity index 100% rename from Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.py rename to ExecCpp/RegTests/EB_MMS/tests/eb-symmetry/eb-symmetry.py diff --git a/Testing/test_files/ebmms-3d-1/ebmms-3d-1.i b/ExecCpp/RegTests/EB_MMS/tests/ebmms-1/ebmms-1.i similarity index 97% rename from Testing/test_files/ebmms-3d-1/ebmms-3d-1.i rename to ExecCpp/RegTests/EB_MMS/tests/ebmms-1/ebmms-1.i index 54ce7ddb8..f9c7a383b 100644 --- a/Testing/test_files/ebmms-3d-1/ebmms-3d-1.i +++ b/ExecCpp/RegTests/EB_MMS/tests/ebmms-1/ebmms-1.i @@ -22,7 +22,7 @@ pelec.hi_bc = "Hard" "Hard" "Hard" pelec.do_hydro = 1 pelec.diffuse_vel = 1 pelec.diffuse_temp = 1 -pelec.do_mol_AD = 1 +pelec.do_mol = 1 pelec.do_react = 0 pelec.do_mms = 1 pelec.masa_solution_name = ad_cns_3d_les_sph @@ -60,8 +60,7 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror vfrac -#PROBIN FILENAME -amr.probin_file = ebmms-3d-1.probin +# PROBLEM PARAMETERS # EB eb2.geom_type = sphere diff --git a/ExecCpp/RegTests/HIT/CMakeLists.txt b/ExecCpp/RegTests/HIT/CMakeLists.txt new file mode 100644 index 000000000..17a99cf35 --- /dev/null +++ b/ExecCpp/RegTests/HIT/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_HIT) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS OFF) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL GammaLaw) +set(PELEC_REACTIONS_MODEL Null) +set(PELEC_CHEMISTRY_MODEL Null) +set(PELEC_TRANSPORT_MODEL Constant) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/HIT/GNUmakefile b/ExecCpp/RegTests/HIT/GNUmakefile new file mode 100644 index 000000000..0129bb783 --- /dev/null +++ b/ExecCpp/RegTests/HIT/GNUmakefile @@ -0,0 +1,37 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = FALSE +USE_EB = FALSE +Eos_dir := GammaLaw +Reactions_dir := Null +Transport_dir := Constant + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/HIT/Make.package b/ExecCpp/RegTests/HIT/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/RegTests/HIT/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/HIT/README.md b/ExecCpp/RegTests/HIT/README.md new file mode 100644 index 000000000..43e950d5d --- /dev/null +++ b/ExecCpp/RegTests/HIT/README.md @@ -0,0 +1,49 @@ +# Decay of Homogeneous Isotropic Turbulence + +This setup is one of the test problems outlined in +[Johnsen et al. (2010) J. Comp Phys.](http://dx.doi.org/10.1016/j.jcp.2009.10.028) It +has been detailed in many other papers, including (but not limited to) +[Youngs (1984) Phys. D: Nonlinear Phen.](http://dx.doi.org/10.1016/0167-2789(84)90512-8), +[Thornber and Drikakis (2006) ECOMAS](http://repository.tudelft.nl/assets/uuid:ed4bd9db-f347-4173-8ccb-65634ac5fd25/Thornber.pdf), +and +[Lee et al. (1991) Phys. Fluids](http://dx.doi.org/10.1063/1.858071). + + +## Generating the initial condition + +The initial condition is generated by `gen_hit_ic.py` and stored in +files with the prefix `hit_ic_k0_N.dat`, where `k0` is the most +energetic wave number and `N` is the size of the grid. The initial +condition for a grid of size N^3 is generated as follows: + +1. velocity fluctuations generated on a 512^3 grid in wavenumber space +2. Coefficients associated to wavenumbers that cannot be represented on the desired grid are set to 0 (sharp wavenumber cutoff) +3. inverse Fourier transform of the velocity fluctuations (512^3 grid) +4. velocity fluctuations resampled on the desired grid (N^3) + +This script accepts the following options +``` +./gen_hit_ic.py --help +usage: gen_hit_ic.py [-h] [-k0 K0] [-N N] [-s SEED] [-p] + +Generate the velocity fluctuations for the HIT IC + +optional arguments: + -h, --help show this help message and exit + -k0 K0 Wave number containing highest energy + -N N Resolution + -s SEED, --seed SEED Random number generator seed + -p, --plot Save a plot of the x-velocit1y +``` + +Generating an initial condition file is as easy as: +```{bash} +./gen_hit_ic.py -N 16 +``` + +## Running the code + +PeleC reads the file generated by the above script. The IC file name +resolution is specified by the user. The IC data is interpolated to +the Pele grid nodes and the user can (optionally) normalize the input +data using the `uin_norm` parameter. diff --git a/Testing/test_files/hit-3d-2/hit-3d-2.ic b/ExecCpp/RegTests/HIT/hit_ic_32.in similarity index 100% rename from Testing/test_files/hit-3d-2/hit-3d-2.ic rename to ExecCpp/RegTests/HIT/hit_ic_32.in diff --git a/Testing/test_files/hit-3d-1/hit-3d-1.ic b/ExecCpp/RegTests/HIT/hit_ic_4_32.dat similarity index 100% rename from Testing/test_files/hit-3d-1/hit-3d-1.ic rename to ExecCpp/RegTests/HIT/hit_ic_4_32.dat diff --git a/ExecCpp/RegTests/HIT/inputs_ex b/ExecCpp/RegTests/HIT/inputs_ex new file mode 100644 index 000000000..8bee7b3b0 --- /dev/null +++ b/ExecCpp/RegTests/HIT/inputs_ex @@ -0,0 +1,69 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 100000000 +stop_time = 0.00249438306 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0.0 0.0 0.0 +geometry.prob_hi = 6.283185307179586232 6.283185307179586232 6.283185307179586232 +# use with single level +#amr.n_cell = 8 8 8 +#amr.n_cell = 16 16 16 +amr.n_cell = 32 32 32 +#amr.n_cell = 64 64 64 +#amr.n_cell = 128 128 128 +#amr.n_cell = 256 256 256 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.do_react = 0 +pelec.do_grav = 0 +pelec.allow_negative_energy = 0 + +# TIME STEP CONTROL +pelec.cfl = 0.9 # cfl number for hyperbolic system +pelec.init_shrink = 0.3 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.check_file = chk # root name of checkpoint file +amr.check_int = 100 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_file = plt # root name of plotfile +amr.plot_int = 100 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure + +# PROBLEM PARAMETERS +prob.iname = "hit_ic_4_32.dat" +prob.lambda0 = 0.5 +prob.reynolds_lambda0 = 100.0 +prob.mach_t0 = 0.1 +prob.prandtl = 0.71 +prob.inres = 32 diff --git a/ExecCpp/RegTests/HIT/prob.H b/ExecCpp/RegTests/HIT/prob.H new file mode 100644 index 000000000..2a468fa7d --- /dev/null +++ b/ExecCpp/RegTests/HIT/prob.H @@ -0,0 +1,179 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include +#include +#include + +#include "mechanism.h" + +#include "IndexDefines.H" +#include "EOS.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" +#include "Forcing.H" +#include "Utilities.H" +#include "Transport.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + amrex::Real x[3] = { + prob_lo[0] + (i + 0.5) * dx[0], prob_lo[1] + (j + 0.5) * dx[1], + prob_lo[2] + (k + 0.5) * dx[2]}; + + // Uniform density, temperature, pressure (internal energy) + state(i, j, k, URHO) = ProbParm::rho0; + state(i, j, k, UEINT) = ProbParm::rho0 * ProbParm::eint0; + state(i, j, k, UTEMP) = ProbParm::T0; + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = ProbParm::rho0 * massfrac[n]; + + // Fill in the velocities and energy. + amrex::Real u[3] = {0.0}; + amrex::Real uinterp[3] = {0.0}; + + // Interpolation factors + amrex::Real mod[3] = {0.0}; + int idx[3] = {0}; + int idxp1[3] = {0}; + amrex::Real slp[3] = {0.0}; + for (int cnt = 0; cnt < 3; cnt++) { + mod[cnt] = std::fmod(x[cnt], ProbParm::Linput); + locate(ProbParm::xarray, ProbParm::inres, mod[cnt], idx[cnt]); + idxp1[cnt] = (idx[cnt] + 1) % ProbParm::inres; + slp[cnt] = + (mod[cnt] - ProbParm::xarray[idx[cnt]]) / ProbParm::xdiff[idx[cnt]]; + } + + const amrex::Real f0 = (1 - slp[0]) * (1 - slp[1]) * (1 - slp[2]); + const amrex::Real f1 = slp[0] * (1 - slp[1]) * (1 - slp[2]); + const amrex::Real f2 = (1 - slp[0]) * slp[1] * (1 - slp[2]); + const amrex::Real f3 = (1 - slp[0]) * (1 - slp[1]) * slp[2]; + const amrex::Real f4 = slp[0] * (1 - slp[1]) * slp[2]; + const amrex::Real f5 = (1 - slp[0]) * slp[1] * slp[2]; + const amrex::Real f6 = slp[0] * slp[1] * (1 - slp[2]); + const amrex::Real f7 = slp[0] * slp[1] * slp[2]; + + uinterp[0] = + ProbParm::uinput + [idx[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idx[2])] * + f0 + + ProbParm::uinput + [idxp1[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idx[2])] * + f1 + + ProbParm::uinput + [idx[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idx[2])] * + f2 + + ProbParm::uinput + [idx[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idxp1[2])] * + f3 + + ProbParm::uinput + [idxp1[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idxp1[2])] * + f4 + + ProbParm::uinput + [idx[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idxp1[2])] * + f5 + + ProbParm::uinput + [idxp1[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idx[2])] * + f6 + + ProbParm::uinput + [idxp1[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idxp1[2])] * + f7; + uinterp[1] = + ProbParm::vinput + [idx[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idx[2])] * + f0 + + ProbParm::vinput + [idxp1[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idx[2])] * + f1 + + ProbParm::vinput + [idx[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idx[2])] * + f2 + + ProbParm::vinput + [idx[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idxp1[2])] * + f3 + + ProbParm::vinput + [idxp1[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idxp1[2])] * + f4 + + ProbParm::vinput + [idx[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idxp1[2])] * + f5 + + ProbParm::vinput + [idxp1[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idx[2])] * + f6 + + ProbParm::vinput + [idxp1[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idxp1[2])] * + f7; + uinterp[2] = + ProbParm::winput + [idx[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idx[2])] * + f0 + + ProbParm::winput + [idxp1[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idx[2])] * + f1 + + ProbParm::winput + [idx[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idx[2])] * + f2 + + ProbParm::winput + [idx[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idxp1[2])] * + f3 + + ProbParm::winput + [idxp1[0] + ProbParm::inres * (idx[1] + ProbParm::inres * idxp1[2])] * + f4 + + ProbParm::winput + [idx[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idxp1[2])] * + f5 + + ProbParm::winput + [idxp1[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idx[2])] * + f6 + + ProbParm::winput + [idxp1[0] + ProbParm::inres * (idxp1[1] + ProbParm::inres * idxp1[2])] * + f7; + + u[0] = uinterp[0] + forcing_params::u0; + u[1] = uinterp[1] + forcing_params::v0; + u[2] = uinterp[2] + forcing_params::w0; + state(i, j, k, UMX) = ProbParm::rho0 * u[0]; + state(i, j, k, UMY) = ProbParm::rho0 * u[1]; + state(i, j, k, UMZ) = ProbParm::rho0 * u[2]; + state(i, j, k, UEDEN) = + ProbParm::rho0 * + (ProbParm::eint0 + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/HIT/prob.cpp b/ExecCpp/RegTests/HIT/prob.cpp new file mode 100644 index 000000000..a83738b61 --- /dev/null +++ b/ExecCpp/RegTests/HIT/prob.cpp @@ -0,0 +1,223 @@ +#include "prob.H" + +namespace ProbParm { +std::string iname = ""; +AMREX_GPU_DEVICE_MANAGED bool binfmt = false; +AMREX_GPU_DEVICE_MANAGED bool restart = false; +AMREX_GPU_DEVICE_MANAGED amrex::Real lambda0 = 0.5; +AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds_lambda0 = 100.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real mach_t0 = 0.1; +AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl = 0.71; +AMREX_GPU_DEVICE_MANAGED int inres = 0; +AMREX_GPU_DEVICE_MANAGED amrex::Real uin_norm = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_x = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_y = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_z = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real Linput = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real k0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real urms0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real tau = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p0 = 1.013e6; // [erg cm^-3] +AMREX_GPU_DEVICE_MANAGED amrex::Real T0 = 300.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real eint0 = 0.0; +amrex::Gpu::ManagedVector* v_xinput = nullptr; +amrex::Gpu::ManagedVector* v_uinput = nullptr; +amrex::Gpu::ManagedVector* v_vinput = nullptr; +amrex::Gpu::ManagedVector* v_winput = nullptr; +amrex::Gpu::ManagedVector* v_xarray = nullptr; +amrex::Gpu::ManagedVector* v_xdiff = nullptr; + +AMREX_GPU_DEVICE_MANAGED amrex::Real* xinput = nullptr; +AMREX_GPU_DEVICE_MANAGED amrex::Real* uinput = nullptr; +AMREX_GPU_DEVICE_MANAGED amrex::Real* vinput = nullptr; +AMREX_GPU_DEVICE_MANAGED amrex::Real* winput = nullptr; +AMREX_GPU_DEVICE_MANAGED amrex::Real* xarray = nullptr; +AMREX_GPU_DEVICE_MANAGED amrex::Real* xdiff = nullptr; + +} // namespace ProbParm + +void +pc_prob_close() +{ + delete ProbParm::v_xinput; + delete ProbParm::v_uinput; + delete ProbParm::v_vinput; + delete ProbParm::v_winput; + delete ProbParm::v_xarray; + delete ProbParm::v_xdiff; + + ProbParm::v_xinput = nullptr; + ProbParm::v_uinput = nullptr; + ProbParm::v_vinput = nullptr; + ProbParm::v_winput = nullptr; + ProbParm::v_xarray = nullptr; + ProbParm::v_xdiff = nullptr; + ProbParm::xinput = nullptr; + ProbParm::uinput = nullptr; + ProbParm::vinput = nullptr; + ProbParm::winput = nullptr; + ProbParm::xarray = nullptr; + ProbParm::xdiff = nullptr; +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + + // Parse params + amrex::ParmParse pp("prob"); + pp.query("iname", ProbParm::iname); + pp.query("binfmt", ProbParm::binfmt); + pp.query("restart", ProbParm::restart); + pp.query("lambda0", ProbParm::lambda0); + pp.query("reynolds_lambda0", ProbParm::reynolds_lambda0); + pp.query("mach_t0", ProbParm::mach_t0); + pp.query("prandtl", ProbParm::prandtl); + pp.query("inres", ProbParm::inres); + pp.query("uin_norm", ProbParm::uin_norm); + + amrex::ParmParse ppf("forcing"); + ppf.query("u0", forcing_params::u0); + ppf.query("v0", forcing_params::v0); + ppf.query("w0", forcing_params::w0); + ppf.query("forcing", forcing_params::forcing); + + // Define the length scale + ProbParm::L_x = probhi[0] - problo[0]; + ProbParm::L_y = probhi[1] - problo[1]; + ProbParm::L_z = probhi[2] - problo[2]; + + // Wavelength associated to Taylor length scale + ProbParm::k0 = 2.0 / ProbParm::lambda0; + + // Initial density, velocity, and material properties + amrex::Real cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + EOS::PYT2RE( + ProbParm::p0, massfrac, ProbParm::T0, ProbParm::rho0, ProbParm::eint0); + EOS::RTY2Cs(ProbParm::rho0, ProbParm::T0, massfrac, cs); + EOS::TY2Cp(ProbParm::T0, massfrac, cp); + + ProbParm::urms0 = ProbParm::mach_t0 * cs / sqrt(3.0); + ProbParm::tau = ProbParm::lambda0 / ProbParm::urms0; + + transport_params::const_bulk_viscosity = 0.0; + transport_params::const_diffusivity = 0.0; + transport_params::const_viscosity = ProbParm::rho0 * ProbParm::urms0 * + ProbParm::lambda0 / + ProbParm::reynolds_lambda0; + transport_params::const_conductivity = + transport_params::const_viscosity * cp / ProbParm::prandtl; + + // Output IC + std::ofstream ofs("ic.txt", std::ofstream::out); + amrex::Print(ofs) + << "lambda0, k0, rho0, urms0, tau, p0, T0, gamma, mu, k, c_s0, Reynolds, " + "Mach, Prandtl, u0, v0, w0, forcing" + << std::endl; + amrex::Print(ofs).SetPrecision(17) + << ProbParm::lambda0 << "," << ProbParm::k0 << "," << ProbParm::rho0 << "," + << ProbParm::urms0 << "," << ProbParm::tau << "," << ProbParm::p0 << "," + << ProbParm::T0 << "," << EOS::gamma << "," + << transport_params::const_viscosity << "," + << transport_params::const_conductivity << "," << cs << "," + << ProbParm::reynolds_lambda0 << "," << ProbParm::mach_t0 << "," + << ProbParm::prandtl << "," << forcing_params::u0 << "," + << forcing_params::v0 << "," << forcing_params::w0 << "," + << forcing_params::forcing << std::endl; + ofs.close(); + + // Load velocity fields from file. Assume data set ordered in Fortran + // format and reshape the data accordingly. One thing to keep in mind + // is that this contains the entire input data. We will interpolate + // this data later to just match our box. Another assumption is that + // the input data is a periodic cube. If the input cube is smaller + // than our domain size, the cube will be repeated throughout the + // domain (hence the mod operations in the interpolation). + if (ProbParm::restart) { + amrex::Print() << "Skipping input file reading and assuming restart." + << std::endl; + } else { + const size_t nx = ProbParm::inres; + const size_t ny = ProbParm::inres; + const size_t nz = ProbParm::inres; + amrex::Vector data(nx * ny * nz * 6); /* this needs to be double */ + if (ProbParm::binfmt) { + read_binary(ProbParm::iname, nx, ny, nz, 6, data); + } else { + read_csv(ProbParm::iname, nx, ny, nz, data); + } + + // Extract position and velocities + ProbParm::v_xinput = new amrex::Gpu::ManagedVector; + ProbParm::v_uinput = new amrex::Gpu::ManagedVector; + ProbParm::v_vinput = new amrex::Gpu::ManagedVector; + ProbParm::v_winput = new amrex::Gpu::ManagedVector; + ProbParm::v_xarray = new amrex::Gpu::ManagedVector; + ProbParm::v_xinput = new amrex::Gpu::ManagedVector; + ProbParm::v_xdiff = new amrex::Gpu::ManagedVector; + ProbParm::v_xinput->resize(nx * ny * nz); + ProbParm::v_uinput->resize(nx * ny * nz); + ProbParm::v_vinput->resize(nx * ny * nz); + ProbParm::v_winput->resize(nx * ny * nz); + for (int i = 0; i < ProbParm::v_xinput->size(); i++) { + (*ProbParm::v_xinput)[i] = data[0 + i * 6]; + (*ProbParm::v_uinput)[i] = + data[3 + i * 6] * ProbParm::urms0 / ProbParm::uin_norm; + (*ProbParm::v_vinput)[i] = + data[4 + i * 6] * ProbParm::urms0 / ProbParm::uin_norm; + (*ProbParm::v_winput)[i] = + data[5 + i * 6] * ProbParm::urms0 / ProbParm::uin_norm; + } + + // Get the xarray table and the differences. + ProbParm::v_xarray->resize(nx); + for (int i = 0; i < ProbParm::v_xarray->size(); i++) { + (*ProbParm::v_xarray)[i] = (*ProbParm::v_xinput)[i]; + } + ProbParm::v_xdiff->resize(nx); + std::adjacent_difference( + ProbParm::v_xarray->begin(), ProbParm::v_xarray->end(), + ProbParm::v_xdiff->begin()); + (*ProbParm::v_xdiff)[0] = (*ProbParm::v_xdiff)[1]; + + // Make sure the search array is increasing + if (not std::is_sorted( + ProbParm::v_xarray->begin(), ProbParm::v_xarray->end())) + amrex::Abort("Error: non ascending x-coordinate array."); + + // Get pointer to the data + ProbParm::xinput = ProbParm::v_xinput->dataPtr(); + ProbParm::uinput = ProbParm::v_uinput->dataPtr(); + ProbParm::vinput = ProbParm::v_vinput->dataPtr(); + ProbParm::winput = ProbParm::v_winput->dataPtr(); + ProbParm::xarray = ProbParm::v_xarray->dataPtr(); + ProbParm::xdiff = ProbParm::v_xdiff->dataPtr(); + + // Dimensions of the input box. + ProbParm::Linput = + (*ProbParm::v_xarray)[nx - 1] + 0.5 * (*ProbParm::v_xdiff)[nx - 1]; + } +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/RegTests/HIT/prob_parm.H b/ExecCpp/RegTests/HIT/prob_parm.H new file mode 100644 index 000000000..c4d9cecd7 --- /dev/null +++ b/ExecCpp/RegTests/HIT/prob_parm.H @@ -0,0 +1,44 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern std::string iname; +extern AMREX_GPU_DEVICE_MANAGED bool binfmt; +extern AMREX_GPU_DEVICE_MANAGED bool restart; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real lambda0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds_lambda0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real mach_t0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl; +extern AMREX_GPU_DEVICE_MANAGED int inres; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real uin_norm; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_x; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_y; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_z; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Linput; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real k0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real urms0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real tau; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real eint0; + +extern amrex::Gpu::ManagedVector* v_xinput; +extern amrex::Gpu::ManagedVector* v_uinput; +extern amrex::Gpu::ManagedVector* v_vinput; +extern amrex::Gpu::ManagedVector* v_winput; +extern amrex::Gpu::ManagedVector* v_xarray; +extern amrex::Gpu::ManagedVector* v_xdiff; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* xinput; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* uinput; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* vinput; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* winput; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* xarray; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* xdiff; +} // namespace ProbParm + +#endif diff --git a/ExecCpp/RegTests/HIT/refdata/movahed_jfm_enstrophy.png b/ExecCpp/RegTests/HIT/refdata/movahed_jfm_enstrophy.png new file mode 100644 index 000000000..1c5d2f0a3 Binary files /dev/null and b/ExecCpp/RegTests/HIT/refdata/movahed_jfm_enstrophy.png differ diff 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b/ExecCpp/RegTests/HIT/refdata/movahed_jfm_skewness.png differ diff --git a/Testing/test_files/hit-3d-1/hit-3d-1.i b/ExecCpp/RegTests/HIT/tests/hit-1/hit-1.i similarity index 90% rename from Testing/test_files/hit-3d-1/hit-3d-1.i rename to ExecCpp/RegTests/HIT/tests/hit-1/hit-1.i index 9c6830d13..430d50405 100644 --- a/Testing/test_files/hit-3d-1/hit-3d-1.i +++ b/ExecCpp/RegTests/HIT/tests/hit-1/hit-1.i @@ -57,5 +57,14 @@ amr.plot_int = 10 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure -#PROBIN FILENAME -amr.probin_file = hit-3d-1.probin +# PROBLEM PARAMETERS +prob.iname = "hit-1.ic" +prob.lambda0 = 0.5 +prob.reynolds_lambda0 = 100.0 +prob.mach_t0 = 0.1 +prob.prandtl = 0.71 +prob.inres = 32 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/ExecCpp/RegTests/HIT/tests/hit-1/hit-1.ic b/ExecCpp/RegTests/HIT/tests/hit-1/hit-1.ic new file mode 100644 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+5.792311455056180947e+00,6.185010536754905530e+00,6.185010536754905530e+00,-1.657685638743339185e-01,-1.401184309991634791e+00,-2.164990588220808920e+00 +5.988660995905542350e+00,6.185010536754905530e+00,6.185010536754905530e+00,-2.140383942175967114e-01,-9.123503244029146364e-01,-1.590828661843340264e+00 +6.185010536754905530e+00,6.185010536754905530e+00,6.185010536754905530e+00,-1.052916431606102515e-01,-4.510565337563046673e-01,-9.632038054429600260e-01 diff --git a/Testing/test_files/hit-3d-2/hit-3d-2.i b/ExecCpp/RegTests/HIT/tests/hit-2/hit-2.i similarity index 87% rename from Testing/test_files/hit-3d-2/hit-3d-2.i rename to ExecCpp/RegTests/HIT/tests/hit-2/hit-2.i index 897ca9e2d..a79a83efb 100644 --- a/Testing/test_files/hit-3d-2/hit-3d-2.i +++ b/ExecCpp/RegTests/HIT/tests/hit-2/hit-2.i @@ -56,5 +56,16 @@ amr.plot_per = 0.00006599517256103066 # time between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure -#PROBIN FILENAME -amr.probin_file = hit-3d-2.probin +# PROBLEM PARAMETERS +prob.iname = "hit-2.ic" +prob.binfmt = true +prob.lambda0 = 0.2645751311064591 +prob.reynolds_lambda0 = 133.6306209562122262 +prob.mach_t0 = 0.1 +prob.prandtl = 0.71 +prob.inres = 32 +prob.uin_norm = 1.4142135623730950 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/hit-3d-3/hit-3d-3.ic b/ExecCpp/RegTests/HIT/tests/hit-2/hit-2.ic similarity index 100% rename from Testing/test_files/hit-3d-3/hit-3d-3.ic rename to ExecCpp/RegTests/HIT/tests/hit-2/hit-2.ic diff --git a/Testing/test_files/hit-3d-3/hit-3d-3.i b/ExecCpp/RegTests/HIT/tests/hit-3/hit-3.i similarity index 86% rename from Testing/test_files/hit-3d-3/hit-3d-3.i rename to ExecCpp/RegTests/HIT/tests/hit-3/hit-3.i index 782690584..84f9bb15f 100644 --- a/Testing/test_files/hit-3d-3/hit-3d-3.i +++ b/ExecCpp/RegTests/HIT/tests/hit-3/hit-3.i @@ -57,5 +57,17 @@ amr.plot_per = 0.00006599517256103066 # time between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure -#PROBIN FILENAME -amr.probin_file = hit-3d-3.probin +# PROBLEM PARAMETERS +prob.iname = "hit-3.ic" +prob.binfmt = true +prob.lambda0 = 0.2645751311064591 +prob.reynolds_lambda0 = 133.6306209562122262 +prob.mach_t0 = 0.1 +prob.prandtl = 0.71 +prob.inres = 32 +prob.uin_norm = 1.4142135623730950 +prob.forcing = 240945.78770686506 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/ExecCpp/RegTests/HIT/tests/hit-3/hit-3.ic b/ExecCpp/RegTests/HIT/tests/hit-3/hit-3.ic new file mode 100644 index 000000000..69821441f Binary files /dev/null and b/ExecCpp/RegTests/HIT/tests/hit-3/hit-3.ic differ diff --git a/ExecCpp/RegTests/HIT/visit_pp_aux_vars.py b/ExecCpp/RegTests/HIT/visit_pp_aux_vars.py new file mode 100644 index 000000000..133e8ba4a --- /dev/null +++ b/ExecCpp/RegTests/HIT/visit_pp_aux_vars.py @@ -0,0 +1,122 @@ +# +# Post-process data using VisIt. Generates data files of +# - the spatial average of u^+v^2+w^2 +# - the spatial average of sound speed +# - the spatial average of u^2 +# - the spatial average of dudx^2 +# +# Usage: +# visit -nowin -cli -s /path/to/pp_aux_vars.py +# + +# ======================================================================== +# +# Imports +# +# ======================================================================== +import sys +import subprocess as sp + + +# ======================================================================== +# +# Function definitions +# +# ======================================================================== +def save_curve(plotnum, fname): + """Save curve data""" + SetActivePlots(plotnum) + HideActivePlots() + SaveWindowAtts = SaveWindowAttributes() + SaveWindowAtts.outputToCurrentDirectory = 1 + SaveWindowAtts.outputDirectory = "." + SaveWindowAtts.fileName = fname + SaveWindowAtts.family = 0 + SaveWindowAtts.format = SaveWindowAtts.CURVE + SaveWindowAtts.width = 1024 + SaveWindowAtts.height = 1024 + SaveWindowAtts.screenCapture = 0 + SaveWindowAtts.saveTiled = 0 + SaveWindowAtts.quality = 80 + SaveWindowAtts.progressive = 0 + SaveWindowAtts.binary = 0 + SaveWindowAtts.stereo = 0 + SaveWindowAtts.compression = SaveWindowAtts.None + SaveWindowAtts.forceMerge = 0 + # NoConstraint, EqualWidthHeight, ScreenProportions + SaveWindowAtts.resConstraint = SaveWindowAtts.ScreenProportions + SaveWindowAtts.advancedMultiWindowSave = 0 + SetSaveWindowAttributes(SaveWindowAtts) + SaveWindow() + HideActivePlots() + + +# ======================================================================== +# +# Main +# +# ======================================================================== + +# Get the list of data +return_code = sp.call('ls -1 plt*/Header | tee movie.visit', shell=True) + +# Open files +OpenDatabase("localhost:movie.visit", 0) + +# Define expressions +DefineScalarExpression("magvel2", "sqr(magvel)") +DefineScalarExpression("cs_mod", "sqrt(pressure/density)") +DefineScalarExpression("dudx2", "sqr(gradient(x_velocity)[0])") +DefineScalarExpression("u2", "sqr(x_velocity)") + +# Integrate on the whole domain +AddPlot("Pseudocolor", "magvel2", 1, 1) +AddPlot("Pseudocolor", "cs_mod", 1, 1) +AddPlot("Pseudocolor", "dudx2", 1, 1) +AddPlot("Pseudocolor", "u2", 1, 1) +DrawPlots() +SetQueryFloatFormat("%g") +QueryOverTimeAtts = GetQueryOverTimeAttributes() +QueryOverTimeAtts.timeType = QueryOverTimeAtts.DTime # Cycle, DTime, Timestep +QueryOverTimeAtts.startTimeFlag = 0 +QueryOverTimeAtts.startTime = 0 +QueryOverTimeAtts.endTimeFlag = 0 +QueryOverTimeAtts.endTime = 1 +QueryOverTimeAtts.strideFlag = 0 +QueryOverTimeAtts.stride = 1 +QueryOverTimeAtts.createWindow = 1 +QueryOverTimeAtts.windowId = 2 +SetQueryOverTimeAttributes(QueryOverTimeAtts) +SetActivePlots(0) +QueryOverTime("Weighted Variable Sum", do_time=1) +SetActivePlots(1) +QueryOverTime("Weighted Variable Sum", do_time=1) +SetActivePlots(2) +QueryOverTime("Weighted Variable Sum", do_time=1) +SetActivePlots(3) +QueryOverTime("Weighted Variable Sum", do_time=1) + +# Hide all curve plots +SetActiveWindow(2) +SetActivePlots(0) +HideActivePlots() +SetActivePlots(1) +HideActivePlots() +SetActivePlots(2) +HideActivePlots() +SetActivePlots(3) +HideActivePlots() + +# Save the square of the magnitude of velocity +save_curve(0, "magvel2") + +# Save the modified sound speed data +save_curve(1, "cs_mod") + +# Save the square of the x_velocity gradient +save_curve(2, "dudx2") + +# Save the square of the x_velocity +save_curve(3, "u2") + +sys.exit() diff --git a/ExecCpp/RegTests/MMS/CMakeLists.txt b/ExecCpp/RegTests/MMS/CMakeLists.txt new file mode 100644 index 000000000..857c4016d --- /dev/null +++ b/ExecCpp/RegTests/MMS/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_MMS) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS OFF) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL GammaLaw) +set(PELEC_REACTIONS_MODEL Null) +set(PELEC_CHEMISTRY_MODEL Null) +set(PELEC_TRANSPORT_MODEL Constant) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/MMS/GNUmakefile b/ExecCpp/RegTests/MMS/GNUmakefile new file mode 100644 index 000000000..b9ab7d3e2 --- /dev/null +++ b/ExecCpp/RegTests/MMS/GNUmakefile @@ -0,0 +1,46 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = FALSE +USE_EB = FALSE +Eos_dir := GammaLaw +Reactions_dir := Null +Transport_dir := Constant + +# MASA +USE_MASA = TRUE +ifeq ($(USE_MASA), TRUE) + INCLUDE_LOCATIONS += ${MASA_HOME}/include ${MASA_HOME}/lib + LIBRARY_LOCATIONS += ${MASA_HOME}/lib + LIBRARIES += -Wl,-rpath,${MASA_HOME}/lib -lmasa -lfmasa + DEFINES += -DPELEC_USE_MASA -DDO_PROBLEM_POST_TIMESTEP -DDO_PROBLEM_POST_INIT +endif + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/MMS/Make.package b/ExecCpp/RegTests/MMS/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/RegTests/MMS/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/MMS/README.md b/ExecCpp/RegTests/MMS/README.md new file mode 100644 index 000000000..5716210d3 --- /dev/null +++ b/ExecCpp/RegTests/MMS/README.md @@ -0,0 +1,32 @@ +# Method of Manufactured Solutions + +This uses the [MASA](https://github.com/manufactured-solutions/MASA) +and auto-differention tools to implement the Method of Manufactured +Solutions into Pele. + +## Building +Make sure you change the install paths to match what you want it to +be. + +### MetaPhysicl +1. Get [Metaphysicl](https://github.com/roystgnr/MetaPhysicL) +2. `./bootstrap` (on Eagle, do `spack load autoconf` first) +3. `./configure --prefix=${HOME}/combustion/install/MetaPhysicL` +4. `make` +5. `make install` + +### MASA + +1. Get [MASA](https://github.com/manufactured-solutions/MASA) +2. `./bootstrap` (on Eagle, do `spack load autoconf` first) +3. `./configure --enable-fortran-interfaces METAPHYSICL_DIR=${HOME}/combustion/install/MetaPhysicL --prefix=${HOME}/combustion/install/MASA --enable-python-interfaces` +4. `make` +5. `make check` +6. `make install` + +## Using + +MASA must be linked to when building Pele. We will be using +`ad_cns_3d_les` to manufacture a source and initial condition for +Pele. The user must have defined the `MASA_HOME` variable to point to +the install location of MASA. diff --git a/ExecCpp/RegTests/MMS/inputs_example b/ExecCpp/RegTests/MMS/inputs_example new file mode 100644 index 000000000..33c50b79f --- /dev/null +++ b/ExecCpp/RegTests/MMS/inputs_example @@ -0,0 +1,68 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000000 +stop_time = 0.000005 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = -1.0 -1.0 -1.0 +geometry.prob_hi = 1.0 1.0 1.0 +# use with single level +#amr.n_cell = 4 4 4 +#amr.n_cell = 8 8 8 +amr.n_cell = 16 16 16 +#amr.n_cell = 32 32 32 +#amr.n_cell = 64 64 64 +#amr.n_cell = 128 128 128 +#amr.n_cell = 256 256 256 +#amr.n_cell = 512 512 512 +# use with 1 level of refinement +#amr.n_cell = 128 128 128 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.do_react = 0 +pelec.do_mms = 1 +pelec.allow_negative_energy = 0 + +# TIME STEP CONTROL +pelec.cfl = 0.1 # cfl number for hyperbolic system +pelec.init_shrink = 0.3 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog mmslog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +#amr.max_level = 1 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.check_file = chk # root name of checkpoint file +amr.check_int = 1000 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_file = plt # root name of plotfile +amr.plot_int = 1000 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror + +# PROBLEM PARAMETERS diff --git a/ExecCpp/RegTests/MMS/inputs_example_sym b/ExecCpp/RegTests/MMS/inputs_example_sym new file mode 100644 index 000000000..dff918148 --- /dev/null +++ b/ExecCpp/RegTests/MMS/inputs_example_sym @@ -0,0 +1,83 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000000 +stop_time = 0.000005 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = -1.0 -1.0 -1.0 +geometry.prob_hi = 1.0 1.0 1.0 +# use with single level +#amr.n_cell = 4 4 4 +#amr.n_cell = 8 8 8 +amr.n_cell = 16 16 16 +#amr.n_cell = 32 32 32 +#amr.n_cell = 64 64 64 +#amr.n_cell = 128 128 128 +#amr.n_cell = 256 256 256 +#amr.n_cell = 512 512 512 +# use with 1 level of refinement +#amr.n_cell = 128 128 128 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.do_react = 0 +pelec.do_mms = 1 +pelec.allow_negative_energy = 0 + +# TIME STEP CONTROL +pelec.cfl = 0.1 # cfl number for hyperbolic system +pelec.init_shrink = 0.3 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog mmslog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +#amr.max_level = 1 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.check_file = chk # root name of checkpoint file +amr.check_int = 1000 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_file = plt # root name of plotfile +amr.plot_int = 1000 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror + +# PROBLEM PARAMETERS +prob.rho_x_fact = 0.0 +prob.u_0_fact = 0.0 +prob.v_0_fact = 0.0 +prob.w_0_fact = 0.0 +prob.p_x_fact = 0.0 +prob.a_ux = 2.0 +prob.a_uy = 0.0 +prob.a_uz = 0.0 +prob.a_vx = 0.0 +prob.a_vy = 2.0 +prob.a_vz = 0.0 +prob.a_wx = 0.0 +prob.a_wy = 0.0 +prob.a_wz = 2.0 +fabarray.mfiter_tile_size = 1024 1024 1024 \ No newline at end of file diff --git a/ExecCpp/RegTests/MMS/prob.H b/ExecCpp/RegTests/MMS/prob.H new file mode 100644 index 000000000..c2568df54 --- /dev/null +++ b/ExecCpp/RegTests/MMS/prob.H @@ -0,0 +1,126 @@ +#ifndef PROB_H_ +#define PROB_H_ + +#include +#include +#include +#include + +#ifdef PELEC_USE_MASA +#include +using namespace MASA; +#endif + +#include "mechanism.h" + +#include "PeleC.H" +#include "IndexDefines.H" +#include "EOS.H" +#include "Tagging.H" +#include "Transport.H" +#include "Constants.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + masa_set_param("deltabar", dx[0]); + amrex::Real x = 0.0, y = 0.0, z = 0.0; + + x = prob_lo[0] + (i + 0.5) * dx[0]; +#if AMREX_SPACEDIM > 1 + y = prob_lo[1] + (j + 0.5) * dx[1]; +#endif +#if AMREX_SPACEDIM > 2 + z = prob_lo[2] + (k + 0.5) * dx[2]; +#endif + + // Get state from MASA + const amrex::Real rho = masa_eval_3d_exact_rho(x, y, z); + const amrex::Real u[AMREX_SPACEDIM] = {AMREX_D_DECL( + masa_eval_3d_exact_u(x, y, z), masa_eval_3d_exact_v(x, y, z), + masa_eval_3d_exact_w(x, y, z))}; + const amrex::Real p = masa_eval_3d_exact_p(x, y, z); + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + + amrex::Real eint, T; + EOS::RYP2E(rho, massfrac, p, eint); + EOS::EY2T(eint, massfrac, T); + + // Set the state + state(i, j, k, URHO) = rho; + AMREX_D_TERM(state(i, j, k, UMX) = rho * u[0]; + , state(i, j, k, UMY) = rho * u[1]; + , state(i, j, k, UMZ) = rho * u[2];) + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * + (eint + 0.5 * (AMREX_D_TERM(u[0] * u[0], +u[1] * u[1], +u[2] * u[2]))); + state(i, j, k, UTEMP) = T; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = rho * massfrac[n]; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + amrex::Real x0 = 0.0, x1 = 0.0, x2 = 0.0; + + x0 = x[0]; +#if AMREX_SPACEDIM > 1 + x1 = x[1]; +#endif +#if AMREX_SPACEDIM > 2 + x2 = x[2]; +#endif + const amrex::Real rho = masa_eval_3d_exact_rho(x0, x1, x2); + const amrex::Real u[AMREX_SPACEDIM] = {AMREX_D_DECL( + masa_eval_3d_exact_u(x0, x1, x2), masa_eval_3d_exact_v(x0, x1, x2), + masa_eval_3d_exact_w(x0, x1, x2))}; + const amrex::Real p = masa_eval_3d_exact_p(x0, x1, x2); + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + + amrex::Real eint, T; + EOS::RYP2E(rho, massfrac, p, eint); + EOS::EY2T(eint, massfrac, T); + + // Set the external state + s_ext[URHO] = rho; + AMREX_D_TERM(s_ext[UMX] = rho * u[0];, s_ext[UMY] = rho * u[1]; + , s_ext[UMZ] = rho * u[2];) + s_ext[UEINT] = rho * eint; + s_ext[UEDEN] = + rho * + (eint + 0.5 * (AMREX_D_TERM(u[0] * u[0], +u[1] * u[1], +u[2] * u[2]))); + s_ext[UTEMP] = T; + for (int n = 0; n < NUM_SPECIES; n++) + s_ext[UFS + n] = rho * massfrac[n]; +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/MMS/prob.cpp b/ExecCpp/RegTests/MMS/prob.cpp new file mode 100644 index 000000000..766e325b5 --- /dev/null +++ b/ExecCpp/RegTests/MMS/prob.cpp @@ -0,0 +1,364 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real mach = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_x_fact = 0.1; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_y_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_z_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u_0_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u_x_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u_y_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u_z_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real v_0_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real v_x_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real v_y_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real v_z_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real w_0_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real w_x_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real w_y_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real w_z_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p_x_fact = 0.2; +AMREX_GPU_DEVICE_MANAGED amrex::Real p_y_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p_z_fact = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhox = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoy = 4.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoz = 6.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_ux = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_uy = 4.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_uz = 6.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_vx = 4.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_vy = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_vz = 6.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_wx = 6.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_wy = 4.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_wz = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_px = 6.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_py = 2.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real a_pz = 4.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_x = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_y = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_z = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p0 = 1.013e6; // [erg cm^-3] +AMREX_GPU_DEVICE_MANAGED amrex::Real T0 = 300.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real u0 = 0.0; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("reynolds", ProbParm::reynolds); + pp.query("mach", ProbParm::mach); + pp.query("prandtl", ProbParm::prandtl); + pp.query("rho_x_fact", ProbParm::rho_x_fact); + pp.query("rho_y_fact", ProbParm::rho_y_fact); + pp.query("rho_z_fact", ProbParm::rho_z_fact); + pp.query("u_0_fact", ProbParm::u_0_fact); + pp.query("u_x_fact", ProbParm::u_x_fact); + pp.query("u_y_fact", ProbParm::u_y_fact); + pp.query("u_z_fact", ProbParm::u_z_fact); + pp.query("v_0_fact", ProbParm::v_0_fact); + pp.query("v_x_fact", ProbParm::v_x_fact); + pp.query("v_y_fact", ProbParm::v_y_fact); + pp.query("v_z_fact", ProbParm::v_z_fact); + pp.query("w_0_fact", ProbParm::w_0_fact); + pp.query("w_x_fact", ProbParm::w_x_fact); + pp.query("w_y_fact", ProbParm::w_y_fact); + pp.query("w_z_fact", ProbParm::w_z_fact); + pp.query("p_x_fact", ProbParm::p_x_fact); + pp.query("p_y_fact", ProbParm::p_y_fact); + pp.query("p_z_fact", ProbParm::p_z_fact); + pp.query("a_rhox", ProbParm::a_rhox); + pp.query("a_rhoy", ProbParm::a_rhoy); + pp.query("a_rhoz", ProbParm::a_rhoz); + pp.query("a_ux", ProbParm::a_ux); + pp.query("a_uy", ProbParm::a_uy); + pp.query("a_uz", ProbParm::a_uz); + pp.query("a_vx", ProbParm::a_vx); + pp.query("a_vy", ProbParm::a_vy); + pp.query("a_vz", ProbParm::a_vz); + pp.query("a_wx", ProbParm::a_wx); + pp.query("a_wy", ProbParm::a_wy); + pp.query("a_wz", ProbParm::a_wz); + pp.query("a_px", ProbParm::a_px); + pp.query("a_py", ProbParm::a_py); + pp.query("a_pz", ProbParm::a_pz); + + // Define the length scale + AMREX_D_TERM(ProbParm::L_x = probhi[0] - problo[0]; + , ProbParm::L_y = probhi[1] - problo[1]; + , ProbParm::L_z = probhi[2] - problo[2];) + + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + EOS::PYT2RE(ProbParm::p0, massfrac, ProbParm::T0, ProbParm::rho0, eint); + EOS::RTY2Cs(ProbParm::rho0, ProbParm::T0, massfrac, cs); + EOS::TY2Cp(ProbParm::T0, massfrac, cp); + + ProbParm::u0 = ProbParm::mach * cs; + transport_params::const_bulk_viscosity = + ProbParm::rho0 * ProbParm::u0 * ProbParm::L_x / ProbParm::reynolds; + transport_params::const_diffusivity = 0.0; + transport_params::const_viscosity = + ProbParm::rho0 * ProbParm::u0 * ProbParm::L_x / ProbParm::reynolds; + transport_params::const_conductivity = + transport_params::const_viscosity * cp / ProbParm::prandtl; + + // clang-format off + // MASA parameters for the following functions + // rho = rho_0 + rho_x * cos(a_rhox * PI * x / L) * rho_y * cos(a_rhoy * PI * y / L) * rho_z * cos(a_rhoz * PI * z / L); + // u = u_0 + u_x * cos(a_ux * PI * x / L) * u_y * cos(a_uy * PI * y / L) * u_z * cos(a_uz * PI * z / L); + // v = v_0 + v_x * cos(a_vx * PI * x / L) * v_y * cos(a_vy * PI * y / L) * v_z * cos(a_vz * PI * z / L); + // w = w_0 + w_x * cos(a_wx * PI * x / L) * w_y * cos(a_wy * PI * y / L) * w_z * cos(a_wz * PI * z / L); + // p = p_0 + p_x * cos(a_px * PI * x / L) * p_y * cos(a_py * PI * y / L) * p_z * cos(a_pz * PI * z / L); + // clang-format on + masa_set_param("L", ProbParm::L_x); + masa_set_param("R", EOS::RU); + masa_set_param("k", transport_params::const_conductivity); + masa_set_param("Gamma", EOS::gamma); + masa_set_param("mu", transport_params::const_viscosity); + masa_set_param("mu_bulk", transport_params::const_bulk_viscosity); + masa_set_param("rho_0", ProbParm::rho0); + masa_set_param("rho_x", ProbParm::rho_x_fact * ProbParm::rho0); + masa_set_param("rho_y", ProbParm::rho_y_fact); + masa_set_param("rho_z", ProbParm::rho_z_fact); + masa_set_param("u_0", ProbParm::u_0_fact * ProbParm::u0); + masa_set_param("u_x", ProbParm::u_x_fact * ProbParm::u0); + masa_set_param("u_y", ProbParm::u_y_fact); + masa_set_param("u_z", ProbParm::u_z_fact); + masa_set_param("v_0", ProbParm::v_0_fact * ProbParm::u0); + masa_set_param("v_x", ProbParm::v_x_fact); + masa_set_param("v_y", ProbParm::v_y_fact * ProbParm::u0); + masa_set_param("v_z", ProbParm::v_z_fact); + masa_set_param("w_0", ProbParm::w_0_fact * ProbParm::u0); + masa_set_param("w_x", ProbParm::w_x_fact); + masa_set_param("w_y", ProbParm::w_y_fact); + masa_set_param("w_z", ProbParm::w_z_fact * ProbParm::u0); + masa_set_param("p_0", ProbParm::p0); + masa_set_param("p_x", ProbParm::p_x_fact * ProbParm::p0); + masa_set_param("p_y", ProbParm::p_y_fact); + masa_set_param("p_z", ProbParm::p_z_fact); + masa_set_param("a_rhox", ProbParm::a_rhox); + masa_set_param("a_rhoy", ProbParm::a_rhoy); + masa_set_param("a_rhoz", ProbParm::a_rhoz); + masa_set_param("a_ux", ProbParm::a_ux); + masa_set_param("a_uy", ProbParm::a_uy); + masa_set_param("a_uz", ProbParm::a_uz); + masa_set_param("a_vx", ProbParm::a_vx); + masa_set_param("a_vy", ProbParm::a_vy); + masa_set_param("a_vz", ProbParm::a_vz); + masa_set_param("a_wx", ProbParm::a_wx); + masa_set_param("a_wy", ProbParm::a_wy); + masa_set_param("a_wz", ProbParm::a_wz); + masa_set_param("a_px", ProbParm::a_px); + masa_set_param("a_py", ProbParm::a_py); + masa_set_param("a_pz", ProbParm::a_pz); + + // Display and check + if (amrex::ParallelDescriptor::IOProcessor()) { + masa_display_param(); + } + masa_sanity_check(); +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ + if ((verbose <= 0) || (!do_mms)) + return; + + bool local_flag = true; + + int finest_level = parent->finestLevel(); + amrex::Real time = state[State_Type].curTime(); + amrex::Real rho_mms_err = 0.0; + amrex::Real u_mms_err = 0.0; + amrex::Real v_mms_err = 0.0; + amrex::Real w_mms_err = 0.0; + amrex::Real p_mms_err = 0.0; + amrex::Real rho_residual = 0.0; + amrex::Real rhou_residual = 0.0; + amrex::Real rhov_residual = 0.0; + amrex::Real rhow_residual = 0.0; + amrex::Real rhoE_residual = 0.0; + int datwidth = 14; + int datprecision = 6; + +#ifdef PELEC_USE_MASA + if (level == 0) { + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "... MMS problem post timestep" << std::endl; + } + + // Calculate the errors and residuals + for (int lev = 0; lev <= finest_level; lev++) { + PeleC& pc_lev = getLevel(lev); + + rho_mms_err += pc_lev.volWgtSquaredSum("rhommserror", time, local_flag); + AMREX_D_TERM( + u_mms_err += pc_lev.volWgtSquaredSum("ummserror", time, local_flag); + , v_mms_err += pc_lev.volWgtSquaredSum("vmmserror", time, local_flag); + , w_mms_err += pc_lev.volWgtSquaredSum("wmmserror", time, local_flag);) + p_mms_err += pc_lev.volWgtSquaredSum("pmmserror", time, local_flag); + + rho_residual += pc_lev.volWgtSquaredSumDiff(Density, time, local_flag); + AMREX_D_TERM( + rhou_residual += pc_lev.volWgtSquaredSumDiff(Xmom, time, local_flag); + , rhov_residual += pc_lev.volWgtSquaredSumDiff(Ymom, time, local_flag); + , rhow_residual += pc_lev.volWgtSquaredSumDiff(Zmom, time, local_flag);) + rhoE_residual += pc_lev.volWgtSquaredSumDiff(Eden, time, local_flag); + } + + // Reductions + amrex::ParallelDescriptor::ReduceRealSum( + &rho_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + AMREX_D_TERM( + amrex::ParallelDescriptor::ReduceRealSum( + &u_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + , amrex::ParallelDescriptor::ReduceRealSum( + &v_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + , amrex::ParallelDescriptor::ReduceRealSum( + &w_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber());) + amrex::ParallelDescriptor::ReduceRealSum( + &p_mms_err, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + amrex::ParallelDescriptor::ReduceRealSum( + &rho_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + AMREX_D_TERM( + amrex::ParallelDescriptor::ReduceRealSum( + &rhou_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + , amrex::ParallelDescriptor::ReduceRealSum( + &rhov_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + , amrex::ParallelDescriptor::ReduceRealSum( + &rhow_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber());) + amrex::ParallelDescriptor::ReduceRealSum( + &rhoE_residual, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + + // Get the norm and normalize it + amrex::Real V = volume.sum(0, false); + rho_mms_err = std::sqrt(rho_mms_err / V); + AMREX_D_TERM(u_mms_err = std::sqrt(u_mms_err / V); + , v_mms_err = std::sqrt(v_mms_err / V); + , w_mms_err = std::sqrt(w_mms_err / V);) + p_mms_err = std::sqrt(p_mms_err / V); + rho_residual = std::sqrt(rho_residual / V); + rhou_residual = std::sqrt(rhou_residual / V); + rhov_residual = std::sqrt(rhov_residual / V); + rhow_residual = std::sqrt(rhow_residual / V); + rhoE_residual = std::sqrt(rhoE_residual / V); + + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "TIME= " << time << " RHO MMS ERROR = " << rho_mms_err + << '\n'; + AMREX_D_TERM(amrex::Print() << "TIME= " << time + << " U MMS ERROR = " << u_mms_err << '\n'; + , amrex::Print() << "TIME= " << time << " V MMS ERROR = " + << v_mms_err << '\n'; + , amrex::Print() << "TIME= " << time << " W MMS ERROR = " + << w_mms_err << '\n';) + amrex::Print() << "TIME= " << time << " P MMS ERROR = " << p_mms_err + << '\n'; + amrex::Print() << "TIME= " << time << " RHO RESIDUAL = " << rho_residual + << '\n'; + AMREX_D_TERM(amrex::Print() << "TIME= " << time << " RHO*U RESIDUAL = " + << rhou_residual << '\n'; + , amrex::Print() << "TIME= " << time << " RHO*V RESIDUAL = " + << rhov_residual << '\n'; + , amrex::Print() << "TIME= " << time << " RHO*W RESIDUAL = " + << rhow_residual << '\n';) + amrex::Print() << "TIME= " << time + << " RHO*E RESIDUAL = " << rhoE_residual << '\n'; + + if (parent->NumDataLogs() > 1) { + + std::ostream& data_log2 = parent->DataLog(1); + + // Write the quantities at this time + data_log2 << std::setw(datwidth) << time; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rho_mms_err; + AMREX_D_TERM( + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << u_mms_err; + , data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << v_mms_err; + , data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << w_mms_err;) + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << p_mms_err; + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rho_residual; + AMREX_D_TERM( + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhou_residual; + , data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhov_residual; + , data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhow_residual;) + data_log2 << std::setw(datwidth) << std::setprecision(datprecision) + << rhoE_residual; + data_log2 << std::endl; + } + } + } + +#else + Error("MASA is not turned on. Turn on with USE_MASA=TRUE."); +#endif +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ + + if ((verbose <= 0) || (!do_mms)) + return; + + amrex::Real time = state[State_Type].curTime(); + int datwidth = 14; + int datprecision = 6; + + if (level == 0) { + if (amrex::ParallelDescriptor::IOProcessor()) { + + if (parent->NumDataLogs() > 1) { + + std::ostream& data_log2 = parent->DataLog(1); + if (time == 0.0) { + data_log2 << std::setw(datwidth) << " time"; + data_log2 << std::setw(datwidth) << " rho_mms_err"; + AMREX_D_TERM(data_log2 << std::setw(datwidth) << " u_mms_err"; + , data_log2 << std::setw(datwidth) << " v_mms_err"; + , data_log2 << std::setw(datwidth) << " w_mms_err";) + data_log2 << std::setw(datwidth) << " p_mms_err"; + data_log2 << std::setw(datwidth) << " rho_residual"; + AMREX_D_TERM(data_log2 << std::setw(datwidth) << " rhou_residual"; + , data_log2 << std::setw(datwidth) << " rhov_residual"; + , data_log2 << std::setw(datwidth) << " rhow_residual";) + data_log2 << std::setw(datwidth) << " rhoE_residual"; + data_log2 << std::endl; + } + } + } + } +} +#endif diff --git a/ExecCpp/RegTests/MMS/prob_parm.H b/ExecCpp/RegTests/MMS/prob_parm.H new file mode 100644 index 000000000..544823d55 --- /dev/null +++ b/ExecCpp/RegTests/MMS/prob_parm.H @@ -0,0 +1,53 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real mach; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_x_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_y_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_z_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_0_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_x_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_y_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_z_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v_0_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v_x_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v_y_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v_z_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real w_0_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real w_x_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real w_y_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real w_z_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_x_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_y_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_z_fact; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhox; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoy; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_rhoz; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_ux; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_uy; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_uz; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_vx; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_vy; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_vz; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_wx; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_wy; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_wz; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_px; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_py; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real a_pz; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_x; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_y; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_z; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u0; +} // namespace ProbParm + +#endif diff --git a/Testing/test_files/cns_les_no_amr_3d/cns_les_no_amr_3d.i b/ExecCpp/RegTests/MMS/tests/cns-les-no-amr/cns-les-no-amr.i similarity index 96% rename from Testing/test_files/cns_les_no_amr_3d/cns_les_no_amr_3d.i rename to ExecCpp/RegTests/MMS/tests/cns-les-no-amr/cns-les-no-amr.i index 5702e5522..18e899af9 100644 --- a/Testing/test_files/cns_les_no_amr_3d/cns_les_no_amr_3d.i +++ b/ExecCpp/RegTests/MMS/tests/cns-les-no-amr/cns-les-no-amr.i @@ -62,5 +62,8 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror C_s2 C_I Pr_T -#PROBIN FILENAME -amr.probin_file = cns_les_no_amr_3d.probin +# PROBLEM PARAMETERS + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/cns_no_amr_mol_3d/cns_no_amr_mol_3d.i b/ExecCpp/RegTests/MMS/tests/cns-no-amr-mol/cns-no-amr-mol.i similarity index 95% rename from Testing/test_files/cns_no_amr_mol_3d/cns_no_amr_mol_3d.i rename to ExecCpp/RegTests/MMS/tests/cns-no-amr-mol/cns-no-amr-mol.i index fce6f5703..c6e14d8cc 100644 --- a/Testing/test_files/cns_no_amr_mol_3d/cns_no_amr_mol_3d.i +++ b/ExecCpp/RegTests/MMS/tests/cns-no-amr-mol/cns-no-amr-mol.i @@ -20,7 +20,7 @@ pelec.hi_bc = "Interior" "Interior" "Interior" pelec.do_hydro = 1 pelec.diffuse_vel = 1 pelec.diffuse_temp = 1 -pelec.do_mol_AD = 1 +pelec.do_mol = 1 pelec.do_react = 0 pelec.do_grav = 0 pelec.do_mms = 1 @@ -58,8 +58,8 @@ amr.plot_int = 100000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror -#PROBIN FILENAME -amr.probin_file = cns_no_amr_mol_3d.probin +# PROBLEM PARAMETERS # EB -eb2.geom_type="all_regular" +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/cns_no_amr_3d/cns_no_amr_3d.i b/ExecCpp/RegTests/MMS/tests/cns-no-amr/cns-no-amr.i similarity index 96% rename from Testing/test_files/cns_no_amr_3d/cns_no_amr_3d.i rename to ExecCpp/RegTests/MMS/tests/cns-no-amr/cns-no-amr.i index 00749661e..79e09c0c6 100644 --- a/Testing/test_files/cns_no_amr_3d/cns_no_amr_3d.i +++ b/ExecCpp/RegTests/MMS/tests/cns-no-amr/cns-no-amr.i @@ -57,5 +57,8 @@ amr.plot_int = 100000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror -#PROBIN FILENAME -amr.probin_file = cns_no_amr_3d.probin +# PROBLEM PARAMETERS + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/mms-3d-1/mms-3d-1.i b/ExecCpp/RegTests/MMS/tests/mms-1/mms-1.i similarity index 96% rename from Testing/test_files/mms-3d-1/mms-3d-1.i rename to ExecCpp/RegTests/MMS/tests/mms-1/mms-1.i index e3725356d..bc4c855a0 100644 --- a/Testing/test_files/mms-3d-1/mms-3d-1.i +++ b/ExecCpp/RegTests/MMS/tests/mms-1/mms-1.i @@ -58,5 +58,8 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror -#PROBIN FILENAME -amr.probin_file = mms-3d-1.probin +# PROBLEM PARAMETERS + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/cns_amr_3d/grids_file b/ExecCpp/RegTests/MMS/tests/mms-2/grids_file similarity index 100% rename from Testing/test_files/cns_amr_3d/grids_file rename to ExecCpp/RegTests/MMS/tests/mms-2/grids_file diff --git a/Testing/test_files/mms-3d-2/mms-3d-2.i b/ExecCpp/RegTests/MMS/tests/mms-2/mms-2.i similarity index 87% rename from Testing/test_files/mms-3d-2/mms-3d-2.i rename to ExecCpp/RegTests/MMS/tests/mms-2/mms-2.i index 49fa3deaf..e3578cbf2 100644 --- a/Testing/test_files/mms-3d-2/mms-3d-2.i +++ b/ExecCpp/RegTests/MMS/tests/mms-2/mms-2.i @@ -58,5 +58,18 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror -#PROBIN FILENAME -amr.probin_file = mms-3d-2.probin +# TAGGING +tagging.denerr = 1.20 +tagging.dengrad = 0.01 +tagging.max_denerr_lev = 5 +tagging.max_dengrad_lev = 5 +tagging.presserr = 1.20 +tagging.pressgrad = 1.20 +tagging.max_presserr_lev = 5 +tagging.max_pressgrad_lev = 5 + +# PROBLEM PARAMETERS + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/mms-3d-3/mms-3d-3.i b/ExecCpp/RegTests/MMS/tests/mms-3/mms-3.i similarity index 95% rename from Testing/test_files/mms-3d-3/mms-3d-3.i rename to ExecCpp/RegTests/MMS/tests/mms-3/mms-3.i index 65c3da509..16721e1af 100644 --- a/Testing/test_files/mms-3d-3/mms-3d-3.i +++ b/ExecCpp/RegTests/MMS/tests/mms-3/mms-3.i @@ -20,7 +20,7 @@ pelec.hi_bc = "Interior" "Interior" "Interior" pelec.do_hydro = 1 pelec.diffuse_vel = 1 pelec.diffuse_temp = 1 -pelec.do_mol_AD = 1 +pelec.do_mol = 1 pelec.do_react = 0 pelec.do_mms = 1 pelec.allow_negative_energy = 0 @@ -59,8 +59,8 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror -#PROBIN FILENAME -amr.probin_file = mms-3d-3.probin +# PROBLEM PARAMETERS # EB -eb2.geom_type="all_regular" +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/mms-3d-4/mms-3d-4.i b/ExecCpp/RegTests/MMS/tests/mms-4/mms-4.i similarity index 89% rename from Testing/test_files/mms-3d-4/mms-3d-4.i rename to ExecCpp/RegTests/MMS/tests/mms-4/mms-4.i index e27765972..9f02ff2d2 100644 --- a/Testing/test_files/mms-3d-4/mms-3d-4.i +++ b/ExecCpp/RegTests/MMS/tests/mms-4/mms-4.i @@ -62,5 +62,18 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror -#PROBIN FILENAME -amr.probin_file = mms-3d-4.probin +# PROBLEM PARAMETERS +prob.u_0_fact = 0.0 +prob.a_uy = 1.0 +prob.v_0_fact = 0.0 +prob.v_y_fact = 0.0 +prob.a_vx = 0.0 +prob.a_vy = 0.0 +prob.a_vz = 0.0 +prob.w_0_fact = 0.0 +prob.a_wy = 1.0 +prob.p_x_fact = 0.0 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/mms-3d-5/mms-3d-5.i b/ExecCpp/RegTests/MMS/tests/mms-5/mms-5.i similarity index 96% rename from Testing/test_files/mms-3d-5/mms-3d-5.i rename to ExecCpp/RegTests/MMS/tests/mms-5/mms-5.i index 5944035ab..08a33eca6 100644 --- a/Testing/test_files/mms-3d-5/mms-3d-5.i +++ b/ExecCpp/RegTests/MMS/tests/mms-5/mms-5.i @@ -64,5 +64,8 @@ amr.plot_int = 1000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror C_s2 C_I Pr_T -#PROBIN FILENAME -amr.probin_file = mms-3d-5.probin +# PROBLEM PARAMETERS + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/symmetry_3d/symmetry_3d.i b/ExecCpp/RegTests/MMS/tests/symmetry/symmetry.i similarity index 84% rename from Testing/test_files/symmetry_3d/symmetry_3d.i rename to ExecCpp/RegTests/MMS/tests/symmetry/symmetry.i index 792efd6ce..1202ee754 100644 --- a/Testing/test_files/symmetry_3d/symmetry_3d.i +++ b/ExecCpp/RegTests/MMS/tests/symmetry/symmetry.i @@ -24,6 +24,7 @@ pelec.do_react = 0 pelec.do_grav = 0 pelec.do_mms = 1 pelec.allow_negative_energy = 0 +pelec.do_mol = 1 # TIME STEP CONTROL pelec.cfl = 0.1 # cfl number for hyperbolic system @@ -59,5 +60,25 @@ amr.plot_int = 100000 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror -#PROBIN FILENAME -amr.probin_file = symmetry_3d.probin +# PROBLEM PARAMETERS +prob.rho_x_fact = 0.0 +prob.u_0_fact = 0.0 +prob.v_0_fact = 0.0 +prob.w_0_fact = 0.0 +prob.p_x_fact = 0.0 +prob.a_ux = 2.0 +prob.a_uy = 0.0 +prob.a_uz = 0.0 +prob.a_vx = 0.0 +prob.a_vy = 2.0 +prob.a_vz = 0.0 +prob.a_wx = 0.0 +prob.a_wy = 0.0 +prob.a_wz = 2.0 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 + +# Tiling +fabarray.mfiter_tile_size = 1024 1024 1024 diff --git a/Testing/test_files/symmetry_3d/symmetry_3d.py b/ExecCpp/RegTests/MMS/tests/symmetry/symmetry.py similarity index 100% rename from Testing/test_files/symmetry_3d/symmetry_3d.py rename to ExecCpp/RegTests/MMS/tests/symmetry/symmetry.py diff --git a/ExecCpp/RegTests/MultiSpecSod/CMakeLists.txt b/ExecCpp/RegTests/MultiSpecSod/CMakeLists.txt new file mode 100644 index 000000000..aa4c05cc5 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_MultiSpecSod) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS ON) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_REACTIONS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL Davis) +set(PELEC_TRANSPORT_MODEL Simple) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/MultiSpecSod/GNUmakefile b/ExecCpp/RegTests/MultiSpecSod/GNUmakefile new file mode 100644 index 000000000..7a9545c14 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/GNUmakefile @@ -0,0 +1,38 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = TRUE +USE_EB = FALSE +Eos_dir := Fuego +Reactions_dir := Fuego +Chemistry_Model := Davis +Transport_dir := Simple + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/MultiSpecSod/Grogan_Ihme_ShockWaves_2020 b/ExecCpp/RegTests/MultiSpecSod/Grogan_Ihme_ShockWaves_2020 new file mode 100644 index 000000000..6e5e41553 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/Grogan_Ihme_ShockWaves_2020 @@ -0,0 +1,44 @@ +0.000562433 1.00003 +0.0246032 0.996683 +0.0478427 0.993324 +0.0742822 0.997419 +0.100727 0.994107 +0.123961 0.998155 +0.149602 0.998535 +0.176044 0.998927 +0.208090 1.00681 +0.231327 1.00715 +0.247368 0.985169 +0.289920 0.863575 +0.311593 0.808340 +0.336476 0.745744 +0.361362 0.679445 +0.388641 0.627997 +0.413519 0.572809 +0.445616 0.506617 +0.471288 0.462552 +0.504137 0.466742 +0.528176 0.467099 +0.565034 0.467645 +0.593877 0.471776 +0.623527 0.468511 +0.651574 0.465223 +0.670805 0.465508 +0.674059 0.395185 +0.674113 0.317407 +0.682167 0.258266 +0.701394 0.262254 +0.728638 0.262658 +0.758285 0.263097 +0.784727 0.263489 +0.811970 0.263893 +0.827192 0.267822 +0.828037 0.204870 +0.830492 0.130832 +0.850521 0.134832 +0.876966 0.131520 +0.901002 0.135580 +0.930651 0.132315 +0.958696 0.132731 +0.983538 0.129395 +0.997956 0.137016 diff --git a/ExecCpp/RegTests/MultiSpecSod/Lv_Ihme_JCP_2014 b/ExecCpp/RegTests/MultiSpecSod/Lv_Ihme_JCP_2014 new file mode 100644 index 000000000..77844b925 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/Lv_Ihme_JCP_2014 @@ -0,0 +1,53 @@ +0.00343331 0.998028 +0.0256731 0.999038 +0.0479143 0.998072 +0.0767446 0.998100 +0.102279 0.999114 +0.130286 0.999141 +0.154998 0.999166 +0.184652 0.998207 +0.210188 0.998232 +0.239840 1.00024 +0.257143 0.993338 +0.263745 0.976546 +0.272820 0.954816 +0.281899 0.929133 +0.288508 0.901471 +0.300887 0.867887 +0.314091 0.831339 +0.327296 0.794790 +0.339678 0.757253 +0.355357 0.715767 +0.371861 0.673293 +0.389186 0.633784 +0.403216 0.594272 +0.423837 0.553779 +0.442812 0.511307 +0.458485 0.478714 +0.477448 0.453041 +0.486525 0.430323 +0.525238 0.433326 +0.555716 0.433356 +0.587839 0.436352 +0.624906 0.436389 +0.656206 0.438396 +0.671037 0.432482 +0.673521 0.414697 +0.677671 0.369247 +0.680172 0.325771 +0.679386 0.270434 +0.685995 0.242773 +0.709065 0.233902 +0.732128 0.235901 +0.765901 0.235935 +0.798025 0.236955 +0.833444 0.237978 +0.866394 0.237022 +0.878757 0.227153 +0.878784 0.187627 +0.879636 0.146126 +0.880478 0.119447 +0.910952 0.124418 +0.933192 0.125428 +0.966142 0.124473 +0.992500 0.125487 diff --git a/ExecCpp/RegTests/MultiSpecSod/Make.package b/ExecCpp/RegTests/MultiSpecSod/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/MultiSpecSod/compare.gp b/ExecCpp/RegTests/MultiSpecSod/compare.gp new file mode 100644 index 000000000..2416061ad --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/compare.gp @@ -0,0 +1,8 @@ +set key font "Helvetica,20" +set xtics font "Helvetica,20" +set ytics font "Helvetica,20" +set key spacing 2.0 +set xrange [0:1] +plot 'pelec_soln.dat' u 1:($2/9.6e-4) w l lw 3 title "PeleC",\ +'Lv_Ihme_JCP_2014' u 1:2 w p ps 2 pt 5 title "Lv and Ihme, JCP,2014 (N2 left)",\ +'Grogan_Ihme_ShockWaves_2020' u 1:2 w p ps 2 pt 7 title "Grogan and Ihme, Shock Waves, 2020 (HE left)" diff --git a/ExecCpp/RegTests/MultiSpecSod/extract_density.py b/ExecCpp/RegTests/MultiSpecSod/extract_density.py new file mode 100644 index 000000000..3e28a92c6 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/extract_density.py @@ -0,0 +1,28 @@ +import yt +from sys import argv +import matplotlib +matplotlib.use('Agg') +import matplotlib.pyplot as plt +import numpy as np + +ds=yt.load(argv[1]) +axial_dir=int(argv[2]) + +clength = 1.0 +cwidth = 0.0625 +cdepth = 0.0625 + +fieldname="density" +res = 100 +slicedepth = cdepth/2 +slc = ds.slice((axial_dir+2)%3,slicedepth) +frb = slc.to_frb((1,'cm'), res) +x = np.linspace(0,1,res) +fld = np.array(frb[fieldname])[int(res/2),:] + +outfile=open("pelec_soln.dat","w") + +for i in range(len(x)): + outfile.write("%e\t%e\n"%(x[i],fld[i])) + +outfile.close() diff --git a/ExecCpp/RegTests/MultiSpecSod/inputs_ex b/ExecCpp/RegTests/MultiSpecSod/inputs_ex new file mode 100644 index 000000000..8e2969969 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/inputs_ex @@ -0,0 +1,68 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 10000 +stop_time = 1.959e-6 #final time is 0.2*L*sqrt(rhoL/pL) + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0 0 0 +geometry.prob_hi = 1 0.0625 0.0625 +amr.n_cell = 128 8 8 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "SlipWall" "SlipWall" "SlipWall" +pelec.hi_bc = "SlipWall" "SlipWall" "SlipWall" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 0 +pelec.diffuse_temp = 0 +pelec.diffuse_spec = 0 +pelec.do_react = 0 +pelec.allow_negative_energy = 0 + +# TIME STEP CONTROL +pelec.cfl = 0.9 # cfl number for hyperbolic system +pelec.init_shrink = 0.1 # scale back initial timestep +pelec.change_max = 1.05 # scale back initial timestep +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 100 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 1 +amr.plot_file = plt # root name of plotfile +amr.plot_int = 100 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure + +# PROBLEM PARAMETERS +prob.p_l = 1e7 +prob.u_l = 0.0 +prob.rho_l = 9.6e-4 +prob.p_r = 1e6 +prob.u_r = 0.0 +prob.rho_r = 1.2e-4 +prob.idir = 1 +prob.frac = 0.5 +prob.left_gas = N2 +prob.right_gas = HE diff --git a/ExecCpp/RegTests/MultiSpecSod/prob.H b/ExecCpp/RegTests/MultiSpecSod/prob.H new file mode 100644 index 000000000..e6f37237e --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/prob.H @@ -0,0 +1,143 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include +#include +#include + +#include "mechanism.h" + +#include "IndexDefines.H" +#include "Constants.H" +#include "EOS.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + amrex::Real z = 0; +#if AMREX_SPACEDIM == 3 + z = prob_lo[2] + (k + 0.5) * dx[2]; +#endif + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = 0; + + // Set the states + if (ProbParm::idir == 1) { + if (x <= ProbParm::split[0]) { + state(i, j, k, URHO) = ProbParm::rho_l; + state(i, j, k, UMX) = ProbParm::rho_l * ProbParm::u_l; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_l + 0.5 * ProbParm::rho_l * + ProbParm::u_l * + ProbParm::u_l; + state(i, j, k, UEINT) = ProbParm::rhoe_l; + state(i, j, k, UTEMP) = ProbParm::T_l; + state(i, j, k, UFS + ProbParm::left_gas_id) = state(i, j, k, URHO); + } else { + state(i, j, k, URHO) = ProbParm::rho_r; + state(i, j, k, UMX) = ProbParm::rho_r * ProbParm::u_r; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_r + 0.5 * ProbParm::rho_r * + ProbParm::u_r * + ProbParm::u_r; + state(i, j, k, UEINT) = ProbParm::rhoe_r; + state(i, j, k, UTEMP) = ProbParm::T_r; + state(i, j, k, UFS + ProbParm::right_gas_id) = state(i, j, k, URHO); + } + } else if (ProbParm::idir == 2) { + if (y <= ProbParm::split[1]) { + state(i, j, k, URHO) = ProbParm::rho_l; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = ProbParm::rho_l * ProbParm::u_l; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_l + 0.5 * ProbParm::rho_l * + ProbParm::u_l * + ProbParm::u_l; + state(i, j, k, UEINT) = ProbParm::rhoe_l; + state(i, j, k, UTEMP) = ProbParm::T_l; + state(i, j, k, UFS + ProbParm::left_gas_id) = state(i, j, k, URHO); + } else { + state(i, j, k, URHO) = ProbParm::rho_r; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = ProbParm::rho_r * ProbParm::u_r; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_r + 0.5 * ProbParm::rho_r * + ProbParm::u_r * + ProbParm::u_r; + state(i, j, k, UEINT) = ProbParm::rhoe_r; + state(i, j, k, UTEMP) = ProbParm::T_r; + state(i, j, k, UFS + ProbParm::right_gas_id) = state(i, j, k, URHO); + } + } else if (ProbParm::idir == 3) { + if (z <= ProbParm::split[2]) { + state(i, j, k, URHO) = ProbParm::rho_l; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = ProbParm::rho_l * ProbParm::u_l; + state(i, j, k, UEDEN) = ProbParm::rhoe_l + 0.5 * ProbParm::rho_l * + ProbParm::u_l * + ProbParm::u_l; + state(i, j, k, UEINT) = ProbParm::rhoe_l; + state(i, j, k, UTEMP) = ProbParm::T_l; + state(i, j, k, UFS + ProbParm::left_gas_id) = state(i, j, k, URHO); + } else { + state(i, j, k, URHO) = ProbParm::rho_r; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = ProbParm::rho_r * ProbParm::u_r; + state(i, j, k, UEDEN) = ProbParm::rhoe_r + 0.5 * ProbParm::rho_r * + ProbParm::u_r * + ProbParm::u_r; + state(i, j, k, UEINT) = ProbParm::rhoe_r; + state(i, j, k, UTEMP) = ProbParm::T_r; + state(i, j, k, UFS + ProbParm::right_gas_id) = state(i, j, k, URHO); + } + } else { + amrex::Abort("invalid idir"); + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + for (int n = 0; n < NVAR; n++) { + s_ext[n] = s_int[n]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/MultiSpecSod/prob.cpp b/ExecCpp/RegTests/MultiSpecSod/prob.cpp new file mode 100644 index 000000000..26818f860 --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/prob.cpp @@ -0,0 +1,91 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real p_l = 1.0; // left pressure (erg/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real u_l = 0.0; // left velocity (cm/s) +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_l = 0.0; // left density (g/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_l; +AMREX_GPU_DEVICE_MANAGED amrex::Real T_l = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p_r = 0.1; // right pressure (erg/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real u_r = 0.0; // right velocity (cm/s) +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_r = 0.125; // right density (g/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_r; +AMREX_GPU_DEVICE_MANAGED amrex::Real T_r = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real frac = + 0.5; // fraction of the domain for the interface +AMREX_GPU_DEVICE_MANAGED int idir = 1; // direction across which to jump +AMREX_GPU_DEVICE_MANAGED amrex::GpuArray split; +AMREX_GPU_DEVICE_MANAGED std::string gasL = "N2"; +AMREX_GPU_DEVICE_MANAGED std::string gasR = "HE"; +AMREX_GPU_DEVICE_MANAGED int left_gas_id = N2_ID; +AMREX_GPU_DEVICE_MANAGED int right_gas_id = HE_ID; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("p_l", ProbParm::p_l); + pp.query("u_l", ProbParm::u_l); + pp.query("rho_l", ProbParm::rho_l); + pp.query("p_r", ProbParm::p_r); + pp.query("u_r", ProbParm::u_r); + pp.query("rho_r", ProbParm::rho_r); + pp.query("frac", ProbParm::frac); + pp.query("idir", ProbParm::idir); + pp.get("left_gas", ProbParm::gasL); + pp.get("right_gas", ProbParm::gasR); + + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) { + ProbParm::split[idir] = ProbParm::frac * (problo[idir] + probhi[idir]); + } + + if (ProbParm::gasL == "N2") { + ProbParm::left_gas_id = N2_ID; + ProbParm::right_gas_id = HE_ID; + } else { + ProbParm::left_gas_id = HE_ID; + ProbParm::right_gas_id = N2_ID; + } + + amrex::Real e_l, e_r, cs, cp; + amrex::Real massfrac_l[NUM_SPECIES] = {0.0}; + amrex::Real massfrac_r[NUM_SPECIES] = {0.0}; + massfrac_l[ProbParm::left_gas_id] = 1.0; + massfrac_r[ProbParm::right_gas_id] = 1.0; + + EOS::RYP2E(ProbParm::rho_l, massfrac_l, ProbParm::p_l, e_l); + EOS::EY2T(e_l, massfrac_l, ProbParm::T_l); + ProbParm::rhoe_l = ProbParm::rho_l * e_l; + + EOS::RYP2E(ProbParm::rho_r, massfrac_r, ProbParm::p_r, e_r); + EOS::EY2T(e_r, massfrac_r, ProbParm::T_r); + ProbParm::rhoe_r = ProbParm::rho_r * e_r; +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/RegTests/MultiSpecSod/prob_parm.H b/ExecCpp/RegTests/MultiSpecSod/prob_parm.H new file mode 100644 index 000000000..6ae9919ab --- /dev/null +++ b/ExecCpp/RegTests/MultiSpecSod/prob_parm.H @@ -0,0 +1,28 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real frac; +extern AMREX_GPU_DEVICE_MANAGED int idir; +extern AMREX_GPU_DEVICE_MANAGED std::string gasL; +extern AMREX_GPU_DEVICE_MANAGED std::string gasR; +extern AMREX_GPU_DEVICE_MANAGED amrex::GpuArray + split; +extern AMREX_GPU_DEVICE_MANAGED int left_gas_id; +extern AMREX_GPU_DEVICE_MANAGED int right_gas_id; +} // namespace ProbParm + +#endif diff --git a/ExecCpp/RegTests/PMF/CMakeLists.txt b/ExecCpp/RegTests/PMF/CMakeLists.txt new file mode 100644 index 000000000..544b2109c --- /dev/null +++ b/ExecCpp/RegTests/PMF/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_PMF) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS ON) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_REACTIONS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL LiDryer) +set(PELEC_TRANSPORT_MODEL Simple) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/PMF/GNUmakefile b/ExecCpp/RegTests/PMF/GNUmakefile new file mode 100644 index 000000000..69729a42a --- /dev/null +++ b/ExecCpp/RegTests/PMF/GNUmakefile @@ -0,0 +1,40 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = TRUE +USE_SUNDIALS_PP = FALSE +USE_EB = FALSE +USE_MASA = FALSE +Eos_dir := Fuego +Reactions_dir := Fuego +Chemistry_Model := LiDryer +Transport_dir := Simple + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/Testing/test_files/fiab-2d/LiDryer_H2_p1_phi0_4000tu0300.dat b/ExecCpp/RegTests/PMF/LiDryer_H2_p1_phi0_4000tu0300.dat similarity index 100% rename from Testing/test_files/fiab-2d/LiDryer_H2_p1_phi0_4000tu0300.dat rename to ExecCpp/RegTests/PMF/LiDryer_H2_p1_phi0_4000tu0300.dat diff --git a/ExecCpp/RegTests/PMF/Make.package b/ExecCpp/RegTests/PMF/Make.package new file mode 100644 index 000000000..faac3a2dd --- /dev/null +++ b/ExecCpp/RegTests/PMF/Make.package @@ -0,0 +1,4 @@ +CEXE_headers += prob_parm.H +CEXE_headers += prob.H + +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/PMF/PMF_CH4_1bar_300K_DRM_MixAvg.dat b/ExecCpp/RegTests/PMF/PMF_CH4_1bar_300K_DRM_MixAvg.dat new file mode 100644 index 000000000..77bdbcbc8 --- /dev/null +++ b/ExecCpp/RegTests/PMF/PMF_CH4_1bar_300K_DRM_MixAvg.dat @@ -0,0 +1,466 @@ +VARIABLES = "X" "temp" "u" "rho" "H2" "H" "O" "O2" "OH" "H2O" "HO2" "CH2" "CH2(S)" "CH3" "CH4" "CO" "CO2" "HCO" "CH2O" "CH3O" "C2H4" "C2H5" "C2H6" "N2" "AR" +ZONE I=0464, F=POINT +0.0 300.0 39.6967782193 0.0011225173423325017 4.04228983306e-08 3.55670523619e-13 -3.78628744175e-13 0.190114060831 -2.50342602193e-16 8.29053752767e-14 3.46786314975e-15 -1.73617258347e-19 -5.43619996738e-13 6.89897344187e-13 0.0950570301947 7.70335055565e-13 -1.62549798703e-14 -3.29646803051e-20 -5.1565840572e-13 -4.39433088438e-20 -1.14972410994e-14 -4.98650584463e-26 -8.932445315e-14 0.714828868551 1.09884965641e-61 +0.15 300.000000005 39.6967895468 0.0011225170220231203 3.48952820127e-07 1.11876883934e-17 -3.62757674972e-13 0.190114002748 -5.02618440118e-15 1.04088722905e-12 1.08147188111e-13 -4.77500347676e-18 -2.4697295204e-19 6.10758650317e-14 0.095056999468 4.27201447945e-13 -1.60528553574e-14 -1.31037820369e-18 -5.15944860473e-13 -1.7234663621e-18 -1.14687611222e-14 -1.80232737815e-24 -8.93084129311e-14 0.71482864883 1.92699324003e-61 +0.225 300.00000011 39.6968276443 0.00112251594474096 1.38629341662e-06 -1.02935806505e-20 -3.54888997709e-13 0.19011380746 -3.55325708767e-16 1.5242459032e-11 1.20735858712e-13 -3.43533816407e-22 -2.34128486561e-25 4.24214652344e-14 0.0950568961497 1.13975382703e-12 -1.31047431977e-14 -1.20452482434e-22 -5.15608881355e-13 -1.71079306853e-18 -1.10595513632e-14 -1.98147114372e-24 -8.90592455103e-14 0.714827910081 2.57586576726e-61 +0.3 300.000001603 39.6970112637 0.0011225107525660854 6.38239456293e-06 -1.07498311317e-20 -3.45932479819e-13 0.190112866881 -2.06742249401e-16 2.16097166481e-10 3.15452239222e-13 -3.6963378179e-25 -1.78285162483e-26 4.54423559587e-14 0.0950563984471 1.2046042651e-11 4.52114609798e-14 -1.34076895851e-24 -5.05977478846e-13 -1.67271358575e-18 -3.09675396543e-15 -2.20396243259e-24 -8.38105405348e-14 0.71482435205 3.89970869888e-61 +0.3375 300.000009745 39.6973665519 0.0011225007062676535 1.60303151345e-05 -1.0845014729e-20 -3.36617670114e-13 0.190111050412 -1.96522389489e-16 1.30561546997e-09 1.45583916098e-12 -3.49862909109e-25 -1.80945426724e-26 1.35599088617e-13 0.0950554368526 7.6007730618e-11 4.85080332037e-13 -1.35235303048e-24 -4.31523608418e-13 -1.58584997051e-18 5.60013699976e-14 -9.99265212922e-25 -4.16850806712e-14 0.714817481037 4.82662782618e-61 +0.375 300.000071639 39.6984048751 0.0011224713471519835 4.40873596939e-05 -1.41140231619e-20 -3.01569979527e-13 0.19010576699 -1.71655031501e-16 9.54847433916e-09 1.07345403149e-11 -4.43541735569e-25 -2.29406257294e-26 8.66854871841e-13 0.0950526370515 5.9747605584e-10 5.05547554479e-12 -1.64769696993e-24 3.51032780106e-13 1.04434713494e-20 6.60514420613e-13 8.44335752025e-23 4.23162271751e-13 0.714797498435 5.34345600831e-61 +0.39375 300.000255801 39.6996815315 0.001122435251130778 7.81913738858e-05 -1.60168060465e-20 -2.29777254447e-13 0.190099341946 -9.74839971103e-17 3.39644693839e-08 4.02035117307e-11 -4.95802405423e-25 -2.56446038447e-26 3.70008900864e-12 0.0950492244992 2.25694167934e-09 2.34346931196e-11 -2.5818427749e-24 3.53106865667e-12 3.42649416883e-17 3.05489859583e-12 4.24956024832e-22 1.91388997413e-12 0.714773205884 4.73029925243e-61 +0.4125 300.001047704 39.7022338001 0.0011223630955491625 0.000144830650778 -1.47230794007e-20 2.83812498874e-15 0.190086775092 4.46920678209e-16 1.38531421972e-07 1.74814339427e-10 -3.15452557615e-25 -1.63791016615e-26 1.63324088374e-11 0.0950425206596 9.85122749465e-09 1.28105798896e-10 -4.66908008928e-24 2.18197963519e-11 6.31614021543e-16 1.64979297388e-11 1.01210854254e-20 1.05342100642e-11 0.714725724847 2.58158317672e-61 +0.43125 300.004451947 39.7074686741 0.0011222151286294404 0.000275038650617 7.05015469023e-20 7.65935090402e-13 0.190062164305 7.44274107289e-15 5.8634786551e-07 7.89676823026e-10 1.58957483456e-23 8.19752879122e-25 7.10671613463e-11 0.0950292732943 4.46041981355e-08 7.24194936285e-10 4.90535756622e-23 1.26988672503e-10 1.06434041081e-14 9.19699525771e-11 2.97596774471e-19 6.20086555903e-11 0.714632890932 -2.3030531915e-61 +0.440625 300.010363446 39.7123577912 0.0011220769700176572 0.000386717733295 6.6053671062e-19 1.8039241321e-12 0.190040959319 5.02085746775e-14 1.36148820917e-06 1.91968840408e-09 2.60298729131e-22 1.3427203495e-23 1.66221360788e-10 0.0950176791781 1.0858596948e-07 2.07167272138e-09 5.51113375135e-22 3.668712384e-10 6.94193562276e-14 2.60294156693e-10 3.52841398662e-18 1.84360079486e-10 0.714553168725 -6.37427115455e-61 +0.4453125 300.016972517 39.7160229656 0.0011219734204240656 0.00046253020759 2.29300304677e-18 2.76931262351e-12 0.190026475502 1.57908320754e-13 2.22612766935e-06 3.24054908898e-09 1.34617979363e-21 6.93838362201e-23 2.72564614492e-10 0.09500961316 1.83478059684e-07 3.93154174313e-09 2.28870021717e-21 7.00384048312e-10 2.18019996747e-13 4.90080087715e-10 1.57137608216e-17 3.6048092305e-10 0.714498962526 -8.92924957843e-61 +0.45 300.029025216 39.721077889 0.0011218306386568987 0.000556418350919 7.96621795319e-18 4.28800455294e-12 0.19000839911 4.80759790815e-13 3.8002660709e-06 5.73934141035e-09 7.01409092082e-21 3.61472207819e-22 4.66371614871e-10 0.0949993392577 3.25323282657e-07 7.97420898093e-09 1.08522085503e-20 1.42976202148e-09 6.97209064508e-13 9.84917541609e-10 6.54690782285e-17 7.57246346186e-10 0.714431700335 -1.18420341161e-60 +0.4546875 300.051000383 39.7282782051 0.0011216273208231318 0.00067268698428 2.82813027932e-17 6.67774670518e-12 0.18998574939 1.46256159102e-12 6.665928233e-06 1.04661297827e-08 3.74710363439e-20 1.93110203121e-21 8.1928974739e-10 0.094986106698 5.93963674698e-07 1.67609447319e-08 5.75994946458e-20 3.02452547086e-09 2.25515602603e-12 2.05047286344e-09 2.70374257126e-16 1.65104433082e-09 0.714348162253 -1.50950171147e-60 +0.459375 300.091055135 39.7389081205 0.0011213272950556913 0.000816660853295 1.01958404552e-16 1.04400737479e-11 0.189957200552 4.43665164654e-12 1.18822311214e-05 1.94061715175e-08 2.02579294369e-19 1.0441802252e-20 1.46115758396e-09 0.0949688090393 1.10269715535e-06 3.58569885043e-08 3.30308661853e-19 6.5102136151e-09 7.32057515747e-12 4.34475067053e-09 1.11446283594e-15 3.66430360249e-09 0.714244273361 -1.86427317555e-60 +0.4640625 300.164035642 39.7551914933 0.0011208680137449105 0.000994920088756 3.70591483103e-16 1.63691893496e-11 0.189920900054 1.33512330235e-11 2.13756483905e-05 3.63108008742e-08 1.09465415324e-18 5.64429566772e-20 2.62634865185e-09 0.0949457607322 2.06595691803e-06 7.73507665637e-08 1.97956041309e-18 1.41247278473e-08 2.37171714688e-11 9.2837599267e-09 4.58692270494e-15 8.19823781124e-09 0.714114829571 -2.2401987043e-60 +0.46875 300.296936163 39.7810324464 0.0011201399278127104 0.00121558250833 1.35117932405e-15 2.57303759648e-11 0.189874155168 3.9666305511e-11 3.86476617694e-05 6.82620033198e-08 5.85540153103e-18 3.0211050331e-19 4.7355019693e-09 0.0949143125502 3.88934513053e-06 1.67484479499e-07 1.20875384785e-17 3.07442552971e-08 7.63829755373e-11 1.9912896738e-08 1.88379548102e-14 1.84052762544e-08 0.71395310308 -2.62406601383e-60 +0.4734375 300.538768844 39.8233489376 0.0011189496735734934 0.00148863263553 4.91995225336e-15 4.05619374076e-11 0.189812879121 1.15808364942e-10 7.0053687163e-05 1.28608495406e-07 3.07296105697e-17 1.58852106021e-18 8.53755063006e-09 0.0948701854495 7.33922778273e-06 3.63165865942e-07 7.38394241636e-17 6.69682795461e-08 2.43723254134e-10 4.27748197342e-08 7.7102457821e-14 4.1369805525e-08 0.713750258054 -2.99670745399e-60 +0.47578125 300.733894461 39.8553166105 0.0011180521809547284 0.00164945810512 9.88739269935e-15 5.12908377644e-11 0.189774344861 2.05954767823e-10 9.53869544667e-05 1.7886741098e-07 7.39909429061e-17 3.82612220726e-18 1.15701641183e-08 0.094840703311 1.02176056897e-05 5.46884345195e-07 1.94759803216e-16 1.01059853072e-07 4.6135820989e-10 6.40664028008e-08 1.73257707654e-13 6.36076866429e-08 0.713628922388 -3.16981248882e-60 +0.478125 301.008705247 39.8986353096 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4.97739932282e-05 1.1194307169e-08 6.31263159104e-05 3.02679272185e-08 2.32493278035e-08 0.692318620341 -3.99608905689e-60 +0.5619140625 1875.57040348 257.022550655 0.00017337121105227905 0.0126824586266 0.00606175520882 0.00281167025635 0.0257355065938 0.00656766856248 0.163960084753 6.75918957851e-06 9.03568808371e-06 6.56469572993e-07 5.43135395215e-05 0.000108180391964 0.0390221948026 0.0504770172515 6.13467525306e-06 4.56555562411e-05 1.01521909163e-08 5.85422334244e-05 2.73636651986e-08 1.91128476937e-08 0.692392309572 -3.99593670314e-60 +0.56220703125 1876.74378489 257.148397037 0.00017328636489837254 0.0126454356379 0.00608922251742 0.00283459685985 0.0255132294008 0.00661226063738 0.164004849547 6.60819049605e-06 8.31339979865e-06 6.03904974018e-07 4.95741136629e-05 9.80657068124e-05 0.0387603644884 0.050809615411 5.66093001912e-06 4.18534776866e-05 9.20795259374e-09 5.42777847696e-05 2.47804085005e-08 1.57123697676e-08 0.692465418291 -3.99579103149e-60 +0.5625 1877.8914298 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5.4428428035e-06 3.95222017095e-07 3.13440731271e-05 5.99254055064e-05 0.0374853458515 0.0523993303433 3.76146859865e-06 2.69271322166e-05 5.67099060303e-09 3.71057505254e-05 1.54698239229e-08 6.023585695e-09 0.692821640261 -3.99517300007e-60 +0.5642578125 1884.31472307 257.943382699 0.00017275229535249813 0.0124287844119 0.00625094719949 0.00296512920902 0.0241502455698 0.00687985826357 0.164226672332 5.79873560028e-06 4.58036225324e-06 3.32557482192e-07 2.60624783944e-05 4.91457168667e-05 0.0369934505929 0.0530018688188 3.18497132587e-06 2.25064334414e-05 4.67538210677e-09 3.18312380072e-05 1.29196502321e-08 4.13738863233e-09 0.692959579377 -3.99497746566e-60 +0.56484375 1886.3101185 258.148790324 0.00017261483765066893 0.0123792156579 0.00628811019618 0.00299377606142 0.0238146241007 0.00694354060482 0.164266693396 5.62809722355e-06 3.84874925017e-06 2.79409802753e-07 2.16587442537e-05 4.02760572238e-05 0.036512980022 0.0535857771127 2.69363916034e-06 1.87846180859e-05 3.85598513846e-09 2.72902683106e-05 1.08273099864e-08 2.85714492786e-09 0.693094805724 -3.99480944272e-60 +0.5654296875 1888.24537856 258.346746635 0.0001724825731288555 0.0123344747336 0.00632160745578 0.00301904522375 0.0234995695066 0.00700223753978 0.16429875907 5.47737726858e-06 3.22974826717e-06 2.34449282937e-07 1.79910572333e-05 3.29860319886e-05 0.0360444231715 0.0541513619354 2.27618600141e-06 1.56588286279e-05 3.18136709452e-09 2.33851714366e-05 9.09963551946e-09 1.9861704231e-09 0.693227268247 -3.99466727529e-60 +0.566015625 1890.12651487 258.538174888 0.00017235486293567696 0.0122942048045 0.00635162434078 0.00304118484417 0.0232035012714 0.00705630228809 0.164323970095 5.34365433044e-06 2.70721410903e-06 1.9650048498e-07 1.49392674768e-05 2.70002040034e-05 0.0355881287164 0.0546989598276 1.92247084557e-06 1.30392496634e-05 2.62574241691e-09 2.00301719274e-05 7.66529550989e-09 1.39169573138e-09 0.693356933397 -3.99454929467e-60 +0.5666015625 1891.95867128 258.723864449 0.00017223116182201142 0.0122580543836 0.00637834154497 0.00306043524674 0.0229249643966 0.00710607132842 0.164343314364 5.22444539101e-06 2.26698789315e-06 1.64533026248e-07 1.24019319475e-05 2.20895156683e-05 0.0351443248283 0.0552289319909 1.62347674425e-06 1.08480228502e-05 2.16795390746e-09 1.71502163727e-05 6.46904769342e-09 9.84199539355e-10 0.693483783165 -3.99445384034e-60 +0.5671875 1893.746251 258.904489533 0.00017211100474493496 0.012225680929 0.00640193460516 0.00307702660289 0.0226626209782 0.00715186296959 0.164357677288 5.11764509128e-06 1.89674269045e-06 1.37650182323e-07 1.02936581999e-05 1.80639006255e-05 0.0347131370498 0.0557416596021 1.37125928472e-06 9.01808351469e-06 1.79063395889e-09 1.4679844276e-05 5.4676063414e-09 7.03356295112e-10 0.693607813229 -3.99437927605e-60 +0.5677734375 1895.49302754 259.080625675 0.00017199399517199424 0.0121967536715 0.00642257349508 0.00309117732033 0.0224152419086 0.00719397656926 0.164367851325 5.0214713673e-06 1.58581370019e-06 1.1507638284e-07 8.54275003702e-06 1.4765958893e-05 0.0342946042233 0.0562375395913 1.15887436736e-06 7.49198526384e-06 1.47951832949e-09 1.25621228771e-05 4.62666355288e-09 5.08514041148e-10 0.693729031228 -3.99432400489e-60 +0.568359375 1897.20224065 259.252764107 0.00017187979493464445 0.0121709557599 0.00644042229925 0.00310309302761 0.0221816988221 0.00723269226842 0.164374544698 4.93441747119e-06 1.32502411522e-06 9.61444214122e-08 7.0891434982e-06 1.20655715679e-05 0.0338886925636 0.0567169808636 9.80293859387e-07 6.22075946676e-06 1.22288552554e-09 1.07476583922e-05 3.918731221e-09 3.72260047719e-10 0.693847455171 -3.99428647725e-60 +0.5689453125 1898.87667878 259.421324225 0.00017176811547362829 0.0121479858139 0.00645563896401 0.00311296604082 0.0219609563666 0.00726827112584 0.164378389363 4.85521006318e-06 1.10651464397e-06 8.0282955913e-08 5.88261368675e-06 9.85533729785e-06 0.0334953079957 0.0571804009353 8.3031587363e-07 5.16284064726e-06 1.01109861177e-09 9.19368998338e-06 3.32156547359e-09 2.76082280571e-10 0.693963111981 -3.99426520108e-60 +0.56953125 1900.51874965 259.586664339 0.00017165871032045094 0.0121275589674 0.00646837512207 0.00312097521025 0.0217520648611 0.00730095555279 0.164379948263 4.78277285124e-06 9.23582084935e-07 6.70046824597e-08 4.88122861964e-06 8.04672119449e-06 0.0331143068987 0.0576282229578 7.0447468755e-07 4.28307642162e-06 8.36230188337e-10 7.86326825025e-06 2.81700400574e-09 2.07447968677e-10 0.694076036177 -3.99425874369e-60 +0.5701171875 1902.13054022 259.749090904 0.0001715513686656934 0.0121094074829 0.00647877598605 0.00312728605777 0.021554153377 0.0073309699639 0.164379721944 4.7161950945e-06 7.70530393194e-07 5.58954436265e-08 4.05002451842e-06 6.56681663455e-06 0.0327455054066 0.0580608730972 5.98953950214e-07 3.55183121851e-06 6.91754309443e-10 6.7245168255e-06 2.3900944838e-09 1.57836625566e-10 0.694186268681 -3.99426573696e-60 +0.570703125 1903.71386749 259.908866429 0.00017144590987261328 0.0120932810076 0.00648698030554 0.00313205112837 0.0213664232639 0.00735852157447 0.164378154571 4.65470409166e-06 6.42536160704e-07 4.66047064422e-08 3.35987686476e-06 5.3556306368e-06 0.0323886874163 0.0584787782407 5.10506163488e-07 2.94418610935e-06 5.72290189593e-10 5.74997347592e-06 2.02842175431e-09 1.21412728482e-10 0.694293855752 -3.99428477224e-60 +0.571875 1906.79997389 260.221203864 0.00017124012758617098 0.0120664139579 0.00649719354693 0.00313736274725 0.0210194576147 0.0074067899047 0.164372181285 4.54505019957e-06 4.49576962379e-07 3.26095551788e-08 2.33040261426e-06 3.59201279906e-06 0.031710571448 0.0592712731915 3.76635855449e-07 2.03732076608e-06 3.95087261929e-10 4.22322793003e-06 1.46970370984e-09 7.59847865394e-11 0.694501167526 -3.99436045709e-60 +0.573046875 1909.79031803 260.525306757 0.00017104024464571703 0.0120450325111 0.00650015184486 0.0031380749138 0.020704658752 0.00744739044942 0.164365002577 4.44891226063e-06 3.14699280282e-07 2.28260065017e-08 1.61887877346e-06 2.40977043773e-06 0.0310765408316 0.0600109113 2.82450040395e-07 1.41067769326e-06 2.73348015049e-10 3.10264975171e-06 1.0659215399e-09 4.93840171825e-11 0.694698624567 -3.99447896751e-60 +0.57421875 1912.69308684 260.822222576 0.00017084553536819477 0.0120277443291 0.00649673320941 0.00313499627692 0.0204177507254 0.007481447093 0.164358580398 4.36340784856e-06 2.2046337873e-07 1.59903563426e-08 1.12663972991e-06 1.61749990198e-06 0.0304842592682 0.0607009778246 2.16131511626e-07 9.77868937263e-07 1.89571216166e-10 2.28032351453e-06 7.7376358877e-10 3.30816139558e-11 0.694886691553 -3.99463308915e-60 +0.575390625 1915.51493149 261.112742654 0.00017065544883891948 0.0120133895131 0.00648772231824 0.00312879923746 0.0201551150659 0.00750990870807 0.164354396096 4.28641034134e-06 1.54618510482e-07 1.12143420964e-08 7.85649663098e-07 1.08652397286e-06 0.0299313226692 0.0613446459251 1.69331967786e-07 6.78856113742e-07 1.3179763385e-10 1.67679255594e-06 5.62141895002e-10 2.26743560967e-11 0.695065850352 -3.99481654095e-60 +0.5765625 1918.26138385 261.397472575 0.00017046956076476519 0.0120010142974 0.00647381762705 0.00312004101807 0.0199136826446 0.00753357529221 0.164353542378 4.21633419367e-06 1.08583105459e-07 7.87542390144e-09 5.49025740976e-07 7.30491807252e-07 0.0294153282884 0.0619449561043 1.36183779111e-07 4.7208801615e-07 9.18613797579e-11 1.23366351804e-06 4.08698942957e-10 1.58020291954e-11 0.695236587588 -3.99502387485e-60 +0.577734375 1920.93714683 261.676882498 0.0001702875391446197 0.0119898444322 0.00645563892314 0.00310918259725 0.019690843413 0.00755312120987 0.164356799273 4.15198153074e-06 7.63582045356e-08 5.53833112717e-09 3.84462489904e-07 4.91523319684e-07 0.0289339219721 0.0625048029024 1.12577498732e-07 3.28881586376e-07 6.41796802487e-11 9.08073278264e-07 2.97318768808e-10 1.1142528618e-11 0.695399385508 -3.99525037336e-60 +0.57890625 1923.5462972 261.95134321 0.00017010911973182606 0.0119792596895 0.00643373493907 0.00309660514146 0.01948437134 0.00756911533656 0.164364696837 4.0924338108e-06 5.37550863249e-08 3.89913154322e-09 2.69683954969e-07 3.30837537845e-07 0.0284848295624 0.0630269271512 9.56407662461e-08 2.29459741792e-07 4.49284110623e-11 6.6857431318e-07 2.1636225796e-10 7.91957466624e-12 0.695554715449 -3.99549195332e-60 +0.580078125 1926.09242819 262.221152059 0.00016993408841595493 0.0119687703217 0.00640859074914 0.00308262393176 0.0192923621174 0.00758203822064 0.164377566849 4.03697518288e-06 3.78491799755e-08 2.74561758479e-09 1.89304676798e-07 2.22431715279e-07 0.0280658769375 0.0635139124277 8.33666016032e-08 1.60181540431e-07 3.14811274989e-11 4.92087845623e-07 1.57407318011e-10 5.65574311646e-12 0.695703033308 -3.99574507715e-60 +0.58125 1928.57875069 262.486551733 0.00016976226848653073 0.0119579958823 0.00638063476657 0.0030674999659 0.0191131815085 0.00759229653035 0.164395585374 3.98503701959e-06 2.65958647607e-08 1.92940402433e-09 1.32665023658e-07 1.48822795329e-07 0.0276750019828 0.0639681846238 7.43496853204e-08 1.11614304622e-07 2.20265602341e-11 3.61653331265e-07 1.14336285879e-10 4.04408462102e-12 0.695844776558 -3.99600694418e-60 +0.58359375 1933.38089031 263.004863672 0.00016942771287521154 0.0119347375235 0.00631746390994 0.00303449486646 0.0187892926059 0.00760584740537 0.164447198276 3.89038599715e-06 1.37520339856e-08 9.98128642858e-10 6.83529042191e-08 7.05143704192e-08 0.0269721047679 0.0647848507285 6.31074309104e-08 5.6930080033e-08 1.13200183353e-11 2.01510475569e-07 6.22741272021e-11 2.15718691649e-12 0.696109644289 -3.9965512277e-60 +0.5859375 1937.98117067 263.507760573 0.0001691043652120328 0.0119077916558 0.00624708871568 0.00299910870292 0.0185010765625 0.00761237651325 0.164518407033 3.80510348835e-06 7.188827926e-09 5.2196372363e-10 3.56383726542e-08 3.3723188589e-08 0.0263568773329 0.0655000201796 5.63920947935e-08 2.93919339522e-08 5.88940021151e-12 1.12745311987e-07 3.40543578404e-11 1.15936869012e-12 0.696353172558 -3.99711667677e-60 +0.58828125 1942.39679034 263.996187649 0.0001687915004615406 0.0118765324658 0.0061714410386 0.00296223130819 0.0182418771234 0.00761342734951 0.164607674622 3.72738370955e-06 3.79958635785e-09 2.75963769217e-10 1.88027321921e-08 1.62990509285e-08 0.02581712963 0.0661277984719 5.20532269285e-08 1.53795332435e-08 3.10176605817e-12 6.33514567701e-08 1.87046641441e-11 6.2723644869e-13 0.696577990623 -3.99769275739e-60 +0.590625 1946.6426885 264.470906582 0.00016848852394150547 0.0118408295563 0.00609203425069 0.00292449544514 0.0180065612889 0.0076101540648 0.164713057302 3.65589807524e-06 2.03046936167e-09 1.47509496499e-10 1.00366218036e-08 7.97015809081e-09 0.025342268773 0.0666804208746 4.89993798276e-08 8.16758828807e-09 1.65330046941e-12 3.57526874983e-08 1.03203939026e-11 3.41403522057e-13 0.69678640943 -3.99827194257e-60 +0.59296875 1950.73196654 264.932559391 0.00016819492787643528 0.011800853514 0.00601005860262 0.00288635319784 0.0177911215732 0.00760342909349 0.164832468791 3.58964071234e-06 1.09689169009e-09 7.97011969133e-11 5.4184437056e-09 3.94700995513e-09 0.024923135951 0.0671684599803 4.66695108724e-08 4.41138558234e-09 8.91526820424e-13 2.02662596753e-08 5.72058941976e-12 1.86889251447e-13 0.69698044776 -3.99884893576e-60 +0.5953125 1954.6761886 265.381706957 0.00016791026506884628 0.011756945664 0.00592645324539 0.00284812906757 0.0175923914375 0.00759392008787 0.164963841304 3.52783099323e-06 5.98821969956e-10 4.3515067939e-11 2.95721726417e-09 1.98113785165e-09 0.0245518398603 0.0676010254921 4.47698198912e-08 2.43141223774e-09 4.86123915995e-13 1.1538709043e-08 3.18564059619e-12 1.02870601693e-13 0.697161861686 -3.99942008888e-60 +0.59765625 1958.48561129 265.81885291 0.00016763413245596815 0.0117095326424 0.005841960863 0.00281005683605 0.0174078401531 0.00758214466422 0.165105218818 3.46985072776e-06 3.30221238524e-10 2.39963720159e-11 1.63069818441e-09 1.00846907597e-09 0.0242215980705 0.0679859496712 4.31426120434e-08 1.37517001248e-09 2.67885788173e-13 6.59866341788e-09 1.78224077726e-12 5.69284579917e-14 0.697332174319 -3.99998296775e-60 +0.6 1962.16936763 266.244458758 0.00016736616056664056 0.0116590717692 0.00575716935082 0.00277230524304 0.0172354235601 0.00756850942784 0.165254806323 3.41520220848e-06 1.8384658523e-10 1.33582427e-11 9.07988309244e-10 5.20791347673e-10 0.0239265915414 0.0683299554771 4.17004901739e-08 8.04993195271e-10 1.49104761977e-13 3.79017578152e-09 1.0017130008e-12 3.16703565483e-14 0.697492704182 -4.00053602376e-60 +0.60234375 1965.73561889 266.65895365 0.0001671060066007438 0.0116060172821 0.00567254383375 0.00273499597776 0.0170734743671 0.00755333793247 0.165410991035 3.36347920179e-06 1.03275862391e-10 7.50238749675e-12 5.10184370839e-10 2.72872361322e-10 0.0236618341756 0.0686388066005 4.03930069428e-08 4.93562839807e-10 8.3778259306e-14 2.18651132408e-09 5.65607363149e-13 1.7710132858e-14 0.697644591349 -4.00107834878e-60 +0.6046875 1969.191682 267.062740777 0.00016685334978485463 0.0115508004916 0.00558845145853 0.0026982163784 0.0169206206145 0.00753689085279 0.1655723462 3.31434627823e-06 5.85029216455e-11 4.24854474595e-12 2.89094376286e-10 1.45038131206e-10 0.023423057529 0.0689174398326 3.91895651533e-08 3.21432352975e-10 4.74964142722e-14 1.2668165729e-09 3.2082219251e-13 9.95400922039e-15 0.697788821022 -4.00160949273e-60 +0.60703125 1972.54413771 267.45620161 0.00016660788818473514 0.011493819081 0.00550518075186 0.00266202847218 0.0167757243667 0.0075193806608 0.165737624563 3.26752370383e-06 3.33994148477e-11 2.42449659102e-12 1.65102540965e-10 7.81743387523e-11 0.0232066099049 0.0691700808966 3.80705270134e-08 2.25115951072e-10 2.716011914e-14 7.37094607027e-10 1.82797670324e-13 5.62269021539e-15 0.697926244468 -4.00212932547e-60 +0.609375 1975.79892293 267.839698759 0.00016636933646384095 0.0114354322946 0.00542295686289 0.00262647546913 0.016637835068 0.00750098240431 0.165905746087 3.22277615504e-06 1.92062284779e-11 1.39350042274e-12 9.49778608649e-11 4.27026119344e-11 0.0230093686379 0.0694003451858 3.70225149955e-08 1.70494359813e-10 1.56635588822e-14 4.30681362408e-10 1.04618990731e-13 3.19170454523e-15 0.698057597432 -4.00263793956e-60 +0.61171875 1978.96140979 268.213577925 0.00016613742426336255 0.011375959819 0.00534195366208 0.00259158647205 0.0165061536375 0.00748184170407 0.16607578289 3.17990413322e-06 1.11189533543e-11 8.06265612345e-13 5.50071244325e-11 2.36231821549e-11 0.0228286642192 0.0696113249705 3.60358786191e-08 1.39034243201e-10 9.11228009506e-15 2.52689198127e-10 6.01393607584e-14 1.82052213575e-15 0.698183516203 -4.00313556812e-60 +0.6140625 1982.03647355 268.578169253 0.00016591189499478415 0.0113156828948 0.00526230341682 0.00255737992714 0.0163800045148 0.00746208075242 0.166246943253 3.13873732958e-06 6.47740411853e-12 4.69392595082e-13 3.20581879178e-11 1.32239232715e-11 0.0226622149036 0.0698056646184 3.51032955182e-08 1.20565631054e-10 5.35111899595e-15 1.48863561694e-10 3.47207336475e-14 1.04334090322e-15 0.698304551557 -4.00362253625e-60 +0.61640625 1985.02855102 268.93378831 0.00016569250490903626 0.0112548466945 0.0051841045811 0.00252386617813 0.0162588136601 0.00744180286452 0.166418555832 3.09912942781e-06 3.79551733422e-12 2.74855074694e-13 1.87931758317e-11 7.48417827854e-12 0.02250807051 0.0699856252936 3.42189756993e-08 1.09453841462e-10 3.17657731249e-15 8.8050916493e-11 2.01313601962e-14 6.00724955751e-16 0.69842118081 -4.00409921388e-60 +0.61875 1987.94169076 269.280736794 0.00016547902235333298 0.0111936633414 0.00510742810367 0.00249104937671 0.0161420910659 0.00742109597202 0.166590054725 3.06095398522e-06 2.23620707115e-12 1.61816656661e-13 1.10774896277e-11 4.27869610139e-12 0.0223645642245 0.07015314048 3.33781923771e-08 1.02548362687e-10 1.91089921766e-15 5.22871572307e-11 1.17214919758e-14 3.47461241342e-16 0.698533818206 -4.00456599159e-60 +0.62109375 1990.77959637 269.619303081 0.00016527122715743984 0.0111323151735 0.00503232256148 0.0024589289264 0.0160294167294 0.00740003533678 0.166760965726 3.02410113595e-06 1.32428406207e-12 9.57536865024e-14 6.56326973537e-12 2.46885349235e-12 0.0222302713407 0.0703098635415 3.25769934717e-08 9.80723190479e-11 1.16940020078e-15 3.11704224945e-11 6.85312011946e-15 2.01873738999e-16 0.698642823846 -4.00502325612e-60 +0.6234375 1993.54566374 269.949762657 0.00016506891011130152 0.0110709580083 0.00495881835357 0.00242750058516 0.0159204293097 0.00737868568366 0.166930893914 2.98847492937e-06 7.88044948414e-13 5.69346143493e-14 3.90759795459e-12 1.43664139378e-12 0.0221039739889 0.070457208394 3.1812015695e-08 9.50151994015e-11 7.32143608485e-16 1.86528344387e-11 4.02306080708e-15 1.17802697508e-16 0.698748511356 -4.00547137738e-60 +0.62578125 1996.24301314 270.272378474 0.00016487187250947794 0.011009724266 0.00488693113673 0.00239675731668 0.0158148168952 0.00735710289752 0.167099512594 2.95399116509e-06 4.71087984679e-13 3.40070377846e-14 2.33717078411e-12 8.42447258029e-13 0.0219846310241 0.0705963842374 3.10803587655e-08 9.27976559089e-11 4.72529733703e-16 1.1203680315e-11 2.37107860555e-15 6.90372765688e-17 0.698851154453 -4.00591069688e-60 +0.628125 1998.87451678 270.587401248 0.00016467992574725347 0.0109487258772 0.00481666464298 0.00236668995659 0.0157123094451 0.00733533539495 0.16726655353 2.92057561946e-06 2.82814679143e-13 2.03986802419e-14 1.40387502494e-12 4.97453883295e-13 0.0218713523517 0.0707284251653 3.03794962012e-08 9.10848397814e-11 3.17221684059e-16 6.7533956135e-12 1.40277288032e-15 4.06246618247e-17 0.698950992581 -4.00634152238e-60 +0.63046875 2001.44282245 270.89506971 0.00016449289096089056 0.0108880569485 0.00474801298477 0.00233728774569 0.0156126725728 0.00731342526699 0.167431798364 2.88816257943e-06 1.70429353201e-13 1.22820438408e-14 8.46477071267e-13 2.95523982346e-13 0.0217633770693 0.0708542153653 2.97072092987e-08 8.96815846175e-11 2.23479556675e-16 4.08390892265e-12 8.32773478874e-16 2.39946836384e-17 0.699048235717 -4.00676411973e-60 +0.6328125 2003.95037354 271.195610811 0.00016431059871345555 0.0108277961972 0.00468096252105 0.00230853877607 0.0155157024041 0.00729140931155 0.167595071049 2.85669360612e-06 1.02982376654e-13 7.41495184744e-15 5.11777381319e-13 1.76366933264e-13 0.0216600548954 0.0709745105071 2.90615364053e-08 8.84730792089e-11 1.66245024683e-16 2.47517518464e-12 4.95619358626e-16 1.4211508392e-17 0.699143068491 -4.00717871058e-60 +0.63515625 2006.39942547 271.489239833 0.00016413288874532388 0.0107680092163 0.00461549331389 0.00228043039433 0.0154212212683 0.00726932018887 0.167756231024 2.82611641905e-06 6.22100649355e-14 4.47526765565e-15 3.09333331631e-13 1.05366243753e-13 0.0215608304457 0.0710899558164 2.84407323773e-08 8.73910185382e-11 1.30727586381e-16 1.49928356917e-12 2.94865015388e-16 8.4161506468e-18 0.699235653686 -4.00758546656e-60 +0.6375 2008.7920578 271.77616031 0.0001639596098556744 0.0107087507189 0.00455158012535 0.00225294958513 0.0153290739499 0.00724718832549 0.167915166563 2.79638358407e-06 3.72332705739e-14 2.67608827281e-15 1.85246486172e-13 6.23828224763e-14 0.0214652300197 0.0712011012051 2.78432290436e-08 8.63941119496e-11 1.08113984294e-16 8.99800886682e-13 1.73820937972e-16 4.93648124156e-18 0.699326135193 -4.00798464251e-60 +0.6421875 2013.41389282 272.330509561 0.00016362585783277335 0.0105920252518 0.00442839994765 0.0021998622809 0.0151514783833 0.00720292099785 0.168225909277 2.73934800918e-06 1.48752120462e-14 1.06708732903e-15 7.40782073485e-14 2.4525968803e-14 0.0212838010749 0.0714117650911 2.67138976803e-08 8.45799785644e-11 8.55497901158e-17 3.61025708455e-13 6.73860230825e-17 1.90151389339e-18 0.699501071548 -4.00876325293e-60 +0.646875 2017.84226021 272.861565628 0.00016330740155374947 0.010477808921 0.00431099565787 0.00214905919579 0.0149813393642 0.00715874220553 0.168527349944 2.68512261389e-06 6.04250079509e-15 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0.00457578639493 0.179642390779 1.02006696926e-06 2.46684205523e-17 1.42920728508e-18 9.27738821613e-17 2.71428008116e-17 0.0131780552373 0.0805557672503 3.31306978641e-09 2.87407150284e-11 4.25726708408e-18 2.1357763327e-25 1.74069932886e-27 2.72842193388e-27 0.706411176182 -4.0458194026e-60 +1.2375 2176.19633753 291.33961884 0.00015294972023501574 0.0055059171869 0.0010246144249 0.000587114521884 0.00817439049245 0.00449975510794 0.17988095174 9.91576991705e-07 2.375938461e-17 1.38023166405e-18 9.11460441617e-17 2.71953213783e-17 0.0129556712122 0.0808018364911 3.10686894743e-09 2.77314423165e-11 3.90774958348e-18 2.19857123818e-25 1.72317102328e-27 2.69309852243e-27 0.706568754111 -4.04650777295e-60 +1.275 2179.21182398 291.683593908 0.00015276935046428127 0.00540346456309 0.00098426346332 0.00056540898874 0.00802783856311 0.00443033075851 0.18009932305 9.66053219957e-07 2.29513385211e-17 1.33658707551e-18 8.96874632063e-17 2.72537655747e-17 0.0127535923006 0.0810257205148 2.92836836385e-09 2.68344498893e-11 3.61180397009e-18 2.25864582413e-25 1.70708403076e-27 2.66041553122e-27 0.706709088789 -4.0470901132e-60 +1.35 2184.33630651 292.272802485 0.00015246137437701005 0.00523592262946 0.000919527924229 0.000530148784794 0.00777813249408 0.00431394210702 0.180471956659 9.24087732438e-07 2.16636813981e-17 1.26696577183e-18 8.73909965297e-17 2.74063610305e-17 0.012419163985 0.0813976391182 2.64931426681e-09 2.53919526385e-11 3.16234183589e-18 2.36852524268e-25 1.68157143438e-27 2.60643729479e-27 0.706932639536 -4.04796264383e-60 +1.425 2188.12409988 292.718087512 0.00015222944886860538 0.00512732269426 0.000877306612412 0.000506470771365 0.00759391230004 0.00423391565193 0.180745744821 8.9504843774e-07 2.08788652894e-17 1.22492225459e-18 8.61604921005e-17 2.76392341228e-17 0.0121932640059 0.0816531405984 2.47130137487e-09 2.44616703652e-11 2.88592836855e-18 2.45972407601e-25 1.66988193796e-27 2.57463167795e-27 0.707068025001 -4.04849293039e-60 +1.5 2188.12409988 292.718087519 0.00015222944886490709 0.00512732269413 0.000877306612391 0.000506470771352 0.00759391229986 0.00423391565183 0.180745744817 8.95048437719e-07 2.08788652889e-17 1.22492225456e-18 8.61604920984e-17 2.76392341221e-17 0.0121932640056 0.0816531405964 2.47130137481e-09 2.44616703646e-11 2.88592836848e-18 2.45972407595e-25 1.66988193792e-27 2.57463167789e-27 0.707068025008 -4.04849293029e-60 diff --git a/ExecCpp/RegTests/PMF/inputs_ex b/ExecCpp/RegTests/PMF/inputs_ex new file mode 100644 index 000000000..703af712d --- /dev/null +++ b/ExecCpp/RegTests/PMF/inputs_ex @@ -0,0 +1,72 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +stop_time = 6 +max_step = 2 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0.0 0.0 1.0 +geometry.prob_hi = 0.3125 0.3125 6.0 +amr.n_cell = 8 8 128 + +#pelec.Riemann = 0 # 0: HLL, 1: JBB, 2: HLLC +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "Interior" "Interior" "Hard" +pelec.hi_bc = "Interior" "Interior" "Hard" + +# TIME STEP CONTROL +pelec.cfl = 0.1 # cfl number for hyperbolic system +pelec.init_shrink = 0.1 # scale back initial timestep +pelec.change_max = 1.1 # scale back initial timestep +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # coarse time steps between computing mass on domain +pelec.v = 1 # verbosity in PeleC cpp files +amr.v = 1 # verbosity in Amr.cpp +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 1 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 8 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 500 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 0 +amr.plot_file = plt # root name of plotfile +amr.plot_int = 10 # number of timesteps between plotfiles + +# PROBLEM PARAMETERS +prob.pamb = 1013250.0 +prob.phi_in = -0.5 +prob.pertmag = 0.005 +prob.pmf_datafile = "LiDryer_H2_p1_phi0_4000tu0300.dat" +#prob.pmf_datafile = "PMF_CH4_1bar_300K_DRM_MixAvg.dat" + +tagging.max_ftracerr_lev = 4 +tagging.ftracerr = 150.e-6 + +extern.new_Jacobian_each_cell = 0 + +amr.derive_plot_vars = magvort density xmom ymom zmom eden Temp pressure x_velocity y_velocity z_velocity +pelec.plot_rhoy = 0 +pelec.plot_massfrac = 1 +pelec.do_react = 1 +pelec.diffuse_temp=1 +pelec.diffuse_enth=1 +pelec.diffuse_spec=1 +pelec.diffuse_vel=1 +pelec.sdc_iters = 2 +pelec.flame_trac_name = HO2 +amrex.signal_handling=0 +#amrex.throw_handling=0 diff --git a/ExecCpp/RegTests/PMF/prob.H b/ExecCpp/RegTests/PMF/prob.H new file mode 100644 index 000000000..0f6458991 --- /dev/null +++ b/ExecCpp/RegTests/PMF/prob.H @@ -0,0 +1,269 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include +#include + +#include "IndexDefines.H" +#include "EOS.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" +#include "Constants.H" + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +void +pmf( + amrex::Real xlo, + amrex::Real xhi, + amrex::GpuArray& y_vector) +{ + amrex::Real sum = 0.0, xmid = 0.0; + int lo_loside = 0, lo_hiside = 0; + int hi_loside = 0, hi_hiside = 0; + int loside = 0, hiside = 0; + amrex::Real ylo = 0.0, yhi = 0.0, x1 = 0.0, y1 = 0.0, x2 = 0.0, y2 = 0.0, + dydx = 0.0; + + if (ProbParm::pmf_do_average) { + lo_loside = 0; + lo_hiside = 0; + hi_loside = 0; + hi_hiside = 0; + if (xlo < ProbParm::d_pmf_X[0]) { + lo_loside = 0; + lo_hiside = 0; + } + if (xhi < ProbParm::d_pmf_X[0]) { + hi_loside = 0; + hi_hiside = 0; + } + if (xlo > ProbParm::d_pmf_X[ProbParm::pmf_N - 1]) { + lo_loside = ProbParm::pmf_N - 1; + lo_hiside = ProbParm::pmf_N - 1; + } + if (xhi > ProbParm::d_pmf_X[ProbParm::pmf_N - 1]) { + hi_loside = ProbParm::pmf_N - 1; + hi_hiside = ProbParm::pmf_N - 1; + } + if (lo_loside == 0) { + for (int i = 0; i < ProbParm::pmf_N - 1; i++) { + if ((xlo > ProbParm::d_pmf_X[i]) && (xlo < ProbParm::d_pmf_X[i + 1])) { + lo_loside = i; + lo_hiside = i + 1; + } + } + } + if (hi_loside == 0) { + for (int i = 0; i < ProbParm::pmf_N - 1; i++) { + if ((xhi > ProbParm::d_pmf_X[i]) && (xhi < ProbParm::d_pmf_X[i + 1])) { + hi_loside = i; + hi_hiside = i + 1; + } + } + } + for (int j = 0; j < ProbParm::pmf_M; j++) { + x1 = ProbParm::d_pmf_X[lo_loside]; + y1 = ProbParm::d_pmf_Y[ProbParm::pmf_N * j + lo_loside]; + x2 = ProbParm::d_pmf_X[lo_hiside]; + y2 = ProbParm::d_pmf_Y[ProbParm::pmf_N * j + lo_hiside]; + if (lo_loside == lo_hiside) + dydx = 0.0; + else + dydx = (y2 - y1) / (x2 - x1); + ylo = y1 + dydx * (xlo - x1); + if (lo_loside == hi_loside) { + yhi = y1 + dydx * (xhi - x1); + y_vector[j] = 0.5 * (ylo + yhi); + } else { + sum = (x2 - xlo) * 0.5 * (ylo + y2); + x1 = ProbParm::d_pmf_X[hi_loside]; + y1 = ProbParm::d_pmf_Y[ProbParm::pmf_N * j + hi_loside]; + x2 = ProbParm::d_pmf_X[hi_hiside]; + y2 = ProbParm::d_pmf_Y[ProbParm::pmf_N * j + hi_hiside]; + if (hi_loside == hi_hiside) + dydx = 0.0; + else + dydx = (y2 - y1) / (x2 - x1); + yhi = y1 + dydx * (xhi - x1); + sum = sum + (xhi - x1) * 0.5 * (yhi + y1); + for (int k = lo_hiside; k < hi_loside - 1; k++) { + sum = sum + (ProbParm::d_pmf_X[k + 1] - ProbParm::d_pmf_X[k]) * 0.5 * + (ProbParm::d_pmf_Y[ProbParm::pmf_N * j + k] + + ProbParm::d_pmf_Y[ProbParm::pmf_N * j + k + 1]); + } + y_vector[j] = sum / (xhi - xlo); + } + } + } else { + xmid = 0.5 * (xlo + xhi); + loside = -1; + hiside = -1; + if (xmid < ProbParm::d_pmf_X[0]) { + loside = 0; + hiside = 0; + } + if (xmid > ProbParm::d_pmf_X[ProbParm::pmf_N - 1]) { + loside = ProbParm::pmf_N - 1; + hiside = ProbParm::pmf_N - 1; + } + if (loside == -1) { + for (int i = 0; i < ProbParm::pmf_N - 1; i++) { + if ( + (xmid >= ProbParm::d_pmf_X[i]) && + (xmid <= ProbParm::d_pmf_X[i + 1])) { + loside = i; + hiside = i + 1; + } + } + } + for (int j = 0; j < ProbParm::pmf_M; j++) { + x1 = ProbParm::d_pmf_X[loside]; + y1 = ProbParm::d_pmf_Y[ProbParm::pmf_N * j + loside]; + x2 = ProbParm::d_pmf_X[hiside]; + y2 = ProbParm::d_pmf_Y[ProbParm::pmf_N * j + hiside]; + if (loside == hiside) + dydx = 0.0; + else + dydx = (y2 - y1) / (x2 - x1); + y_vector[j] = y1 + dydx * (xlo - x1); + } + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + amrex::GpuArray pmf_vals = {0.0}; + amrex::Real u[3] = {0.0}; + amrex::Real molefrac[NUM_SPECIES] = {0.0}; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + amrex::Real pert, rho, energy, T, pres; + + if (ProbParm::phi_in < 0.0) { + pert = 0.0; + if (ProbParm::pertmag > 0.0) { + pert = ProbParm::pertmag * + (1.0 * std::sin(2 * PI * 4 * x / ProbParm::L[0]) * + std::sin(2 * PI * 5 * y / ProbParm::L[1]) + + 1.023 * std::sin(2 * PI * 2 * (x - 0.4598) / ProbParm::L[0]) * + std::sin(2 * PI * 4 * (y - 0.53765) / ProbParm::L[1]) + + 0.945 * std::sin(2 * PI * 3 * (x - 0.712435) / ProbParm::L[0]) * + std::sin(2 * PI * 3 * (y - 2.137) / ProbParm::L[1]) + + 1.017 * std::sin(2 * PI * 5 * (x - 0.33) / ProbParm::L[0]) * + std::sin(2 * PI * 6 * (y - 1.8) / ProbParm::L[1]) + + 0.982 * std::sin(2 * PI * 5 * (x - 1.4234) / ProbParm::L[0])); + } + pmf(z + pert, z + pert, pmf_vals); + for (int n = 0; n < NUM_SPECIES; n++) + molefrac[n] = pmf_vals[3 + n]; + T = pmf_vals[0]; + pres = ProbParm::pamb; + u[AMREX_SPACEDIM - 1] = pmf_vals[1]; + EOS::X2Y(molefrac, massfrac); + EOS::PYT2RE(pres, massfrac, T, rho, energy); + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * energy; + state(i, j, k, UEDEN) = + rho * (energy + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = T; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = rho * massfrac[n]; + } else { + for (int n = 0; n < NVAR; n++) + state(i, j, k, n) = ProbParm::d_fuel_state[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + amrex::GpuArray pmf_vals = {0.0}; + amrex::Real u[3] = {0.0}; + amrex::Real molefrac[NUM_SPECIES] = {0.0}; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + amrex::Real pert, rho, energy, T, pres; + + if (sgn == -1) { + pmf(prob_hi[idir], prob_hi[idir], pmf_vals); + for (int n = 0; n < NUM_SPECIES; n++) + molefrac[n] = pmf_vals[3 + n]; + T = pmf_vals[0]; + pres = ProbParm::pamb; + u[0] = 0.0; + u[1] = 0.0; + u[2] = 0.0; + u[AMREX_SPACEDIM - 1] = pmf_vals[1]; + EOS::X2Y(molefrac, massfrac); + EOS::PYT2RE(pres, massfrac, T, rho, energy); + s_ext[URHO] = rho; + s_ext[UMX] = rho * u[0]; + s_ext[UMY] = rho * u[1]; + s_ext[UMZ] = rho * u[2]; + s_ext[UEINT] = rho * energy; + s_ext[UEDEN] = + rho * (energy + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + s_ext[UTEMP] = T; + for (int n = 0; n < NUM_SPECIES; n++) + s_ext[UFS + n] = rho * massfrac[n]; + + } else { + pmf(prob_lo[idir], prob_lo[idir], pmf_vals); + for (int n = 0; n < NUM_SPECIES; n++) + molefrac[n] = pmf_vals[3 + n]; + T = pmf_vals[0]; + pres = ProbParm::pamb; + u[0] = 0.0; + u[1] = 0.0; + u[2] = 0.0; + u[AMREX_SPACEDIM - 1] = pmf_vals[1]; + EOS::X2Y(molefrac, massfrac); + EOS::PYT2RE(pres, massfrac, T, rho, energy); + s_ext[URHO] = rho; + s_ext[UMX] = rho * u[0]; + s_ext[UMY] = rho * u[1]; + s_ext[UMZ] = rho * u[2]; + s_ext[UEINT] = rho * energy; + s_ext[UEDEN] = + rho * (energy + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + s_ext[UTEMP] = T; + for (int n = 0; n < NUM_SPECIES; n++) + s_ext[UFS + n] = rho * massfrac[n]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/PMF/prob.cpp b/ExecCpp/RegTests/PMF/prob.cpp new file mode 100644 index 000000000..2ed9c6530 --- /dev/null +++ b/ExecCpp/RegTests/PMF/prob.cpp @@ -0,0 +1,225 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real pamb = 1013250.0 * 100.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real phi_in = -0.2; +AMREX_GPU_DEVICE_MANAGED amrex::Real T_in = 298.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real vn_in = 0.2; +AMREX_GPU_DEVICE_MANAGED amrex::Real pertmag = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::GpuArray L = {1.0}; +AMREX_GPU_DEVICE_MANAGED unsigned int pmf_N = 0; +AMREX_GPU_DEVICE_MANAGED unsigned int pmf_M = 0; +AMREX_GPU_DEVICE_MANAGED bool pmf_do_average = false; + +amrex::Gpu::ManagedVector* pmf_X = nullptr; +amrex::Gpu::ManagedVector* pmf_Y = nullptr; +amrex::Gpu::ManagedVector* fuel_state = nullptr; + +AMREX_GPU_DEVICE_MANAGED amrex::Real* d_pmf_X = nullptr; +AMREX_GPU_DEVICE_MANAGED amrex::Real* d_pmf_Y = nullptr; +AMREX_GPU_DEVICE_MANAGED amrex::Real* d_fuel_state = nullptr; + +std::string pmf_datafile = ""; +amrex::Vector pmf_names; +} // namespace ProbParm + +std::string +read_pmf_file(std::ifstream& in) +{ + return static_cast( + std::stringstream() << in.rdbuf()) + .str(); +} + +bool +checkQuotes(const std::string& str) +{ + int count = 0; + for (char c : str) { + if (c == '"') + count++; + } + if ((count % 2) == 0) + return true; + else + return false; +} + +void +read_pmf(const std::string myfile) +{ + std::string firstline, secondline, remaininglines; + int pos1, pos2; + int variable_count, line_count; + + std::ifstream infile(myfile); + const std::string memfile = read_pmf_file(infile); + infile.close(); + std::istringstream iss(memfile); + + std::getline(iss, firstline); + if (!checkQuotes(firstline)) + amrex::Abort("PMF file variable quotes unbalanced"); + std::getline(iss, secondline); + pos1 = 0; + pos2 = 0; + variable_count = 0; + while ((pos1 < firstline.length() - 1) && (pos2 < firstline.length() - 1)) { + pos1 = firstline.find('"', pos1); + pos2 = firstline.find('"', pos1 + 1); + variable_count++; + pos1 = pos2 + 1; + } + + ProbParm::pmf_names.resize(variable_count); + pos1 = 0; + pos2 = 0; + for (int i = 0; i < variable_count; i++) { + pos1 = firstline.find('"', pos1); + pos2 = firstline.find('"', pos1 + 1); + ProbParm::pmf_names[i] = firstline.substr(pos1 + 1, pos2 - (pos1 + 1)); + pos1 = pos2 + 1; + } + + amrex::Print() << variable_count << " variables found in PMF file" + << std::endl; + // for (int i = 0; i < variable_count; i++) + // amrex::Print() << "Variable found: " << ProbParm::pmf_names[i] << + // std::endl; + + line_count = 0; + while (std::getline(iss, remaininglines)) { + line_count++; + } + amrex::Print() << line_count << " data lines found in PMF file" << std::endl; + + ProbParm::pmf_N = line_count; + ProbParm::pmf_M = variable_count - 1; + ProbParm::pmf_X->resize(ProbParm::pmf_N); + ProbParm::pmf_Y->resize(ProbParm::pmf_N * ProbParm::pmf_M); + + iss.clear(); + iss.seekg(0, std::ios::beg); + std::getline(iss, firstline); + std::getline(iss, secondline); + for (int i = 0; i < ProbParm::pmf_N; i++) { + std::getline(iss, remaininglines); + std::istringstream sinput(remaininglines); + sinput >> (*ProbParm::pmf_X)[i]; + for (int j = 0; j < ProbParm::pmf_M; j++) { + sinput >> (*ProbParm::pmf_Y)[j * ProbParm::pmf_N + i]; + } + } + ProbParm::d_pmf_X = ProbParm::pmf_X->dataPtr(); + ProbParm::d_pmf_Y = ProbParm::pmf_Y->dataPtr(); +} + +void +init_bc() +{ + amrex::Real vt, ek, a, yl, yr, sumY, T, rho, e; + amrex::Real molefrac[NUM_SPECIES], massfrac[NUM_SPECIES]; + amrex::GpuArray pmf_vals = {0.0}; + + if (ProbParm::phi_in < 0) { + yl = 0.0; + yr = 0.0; + pmf(yl, yr, pmf_vals); + amrex::Real mysum = 0.0; + for (int n = 0; n < NUM_SPECIES; n++) { + molefrac[n] = amrex::max(0.0, pmf_vals[3 + n]); + mysum += molefrac[n]; + } + molefrac[N2_ID] = 1.0 - (mysum - molefrac[N2_ID]); + T = pmf_vals[0]; + ProbParm::vn_in = pmf_vals[1]; + } else { + a = 0.5; + for (int n = 0; n < NUM_SPECIES; n++) + molefrac[n] = 0.0; + molefrac[O2_ID] = 1.0 / (1.0 + ProbParm::phi_in / a + 0.79 / 0.21); + molefrac[H2_ID] = ProbParm::phi_in * molefrac[O2_ID] / a; + molefrac[N2_ID] = 1.0 - molefrac[H2_ID] - molefrac[O2_ID]; + T = ProbParm::T_in; + } + const int p = ProbParm::pamb; + + EOS::X2Y(molefrac, massfrac); + EOS::PYT2RE(p, massfrac, T, rho, e); + + vt = ProbParm::vn_in; + ek = 0.5 * (vt * vt); + + (*ProbParm::fuel_state)[URHO] = rho; + (*ProbParm::fuel_state)[UMX] = 0.0; + (*ProbParm::fuel_state)[UMY] = rho * vt; + (*ProbParm::fuel_state)[UMZ] = 0.0; + (*ProbParm::fuel_state)[UEINT] = rho * e; + (*ProbParm::fuel_state)[UEDEN] = rho * (e + ek); + (*ProbParm::fuel_state)[UTEMP] = T; + for (int n = 0; n < NUM_SPECIES; n++) { + (*ProbParm::fuel_state)[UFS + n - 1] = rho * massfrac[n]; + } + ProbParm::d_fuel_state = ProbParm::fuel_state->dataPtr(); +} + +void +pc_prob_close() +{ + delete ProbParm::pmf_X; + delete ProbParm::pmf_Y; + delete ProbParm::fuel_state; + + ProbParm::pmf_X = nullptr; + ProbParm::pmf_Y = nullptr; + ProbParm::fuel_state = nullptr; + ProbParm::d_pmf_X = nullptr; + ProbParm::d_pmf_Y = nullptr; + ProbParm::d_fuel_state = nullptr; +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + amrex::ParmParse pp("prob"); + pp.query("pamb", ProbParm::pamb); + pp.query("phi_in", ProbParm::phi_in); + pp.query("T_in", ProbParm::T_in); + pp.query("vn_in", ProbParm::vn_in); + pp.query("pertmag", ProbParm::pertmag); + pp.query("pmf_datafile", ProbParm::pmf_datafile); + + ProbParm::L[0] = probhi[0] - problo[0]; + ProbParm::L[1] = probhi[1] - problo[1]; + ProbParm::L[2] = probhi[2] - problo[2]; + + ProbParm::pmf_X = new amrex::Gpu::ManagedVector; + ProbParm::pmf_Y = new amrex::Gpu::ManagedVector; + ProbParm::fuel_state = new amrex::Gpu::ManagedVector; + ProbParm::fuel_state->resize(NVAR); + + read_pmf(ProbParm::pmf_datafile); + + init_bc(); +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/RegTests/PMF/prob_parm.H b/ExecCpp/RegTests/PMF/prob_parm.H new file mode 100644 index 000000000..5a4535ea0 --- /dev/null +++ b/ExecCpp/RegTests/PMF/prob_parm.H @@ -0,0 +1,30 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real pamb; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real phi_in; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T_in; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real vn_in; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real pertmag; +extern AMREX_GPU_DEVICE_MANAGED amrex::GpuArray L; +extern AMREX_GPU_DEVICE_MANAGED unsigned int pmf_N; +extern AMREX_GPU_DEVICE_MANAGED unsigned int pmf_M; +extern AMREX_GPU_DEVICE_MANAGED bool pmf_do_average; + +extern amrex::Gpu::ManagedVector* pmf_X; +extern amrex::Gpu::ManagedVector* pmf_Y; +extern amrex::Gpu::ManagedVector* fuel_state; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* d_pmf_X; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* d_pmf_Y; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real* d_fuel_state; + +extern std::string pmf_datafile; +extern amrex::Vector pmf_names; +} // namespace ProbParm + +#endif diff --git a/Testing/test_files/fiab-3d/LiDryer_H2_p1_phi0_4000tu0300.dat b/ExecCpp/RegTests/PMF/tests/pmf-1/LiDryer_H2_p1_phi0_4000tu0300.dat similarity index 100% rename from Testing/test_files/fiab-3d/LiDryer_H2_p1_phi0_4000tu0300.dat rename to ExecCpp/RegTests/PMF/tests/pmf-1/LiDryer_H2_p1_phi0_4000tu0300.dat diff --git a/Testing/test_files/fiab-3d/fiab-3d.i b/ExecCpp/RegTests/PMF/tests/pmf-1/pmf-1.i similarity index 85% rename from Testing/test_files/fiab-3d/fiab-3d.i rename to ExecCpp/RegTests/PMF/tests/pmf-1/pmf-1.i index 1987c0f3b..ebeb5bf3c 100644 --- a/Testing/test_files/fiab-3d/fiab-3d.i +++ b/ExecCpp/RegTests/PMF/tests/pmf-1/pmf-1.i @@ -45,8 +45,17 @@ amr.plot_files_output = 1 amr.plot_file = plt # root name of plotfile amr.plot_int = 10 # number of timesteps between plotfiles -#PROBIN FILENAME -amr.probin_file = fiab-3d.probin +# PROBLEM PARAMETERS +prob.pamb = 1013250.0 +prob.phi_in = -0.5 +prob.pertmag = 0.005 +prob.pmf_datafile = "LiDryer_H2_p1_phi0_4000tu0300.dat" +#prob.pmf_datafile = "PMF_CH4_1bar_300K_DRM_MixAvg.dat" + +tagging.max_ftracerr_lev = 4 +tagging.ftracerr = 150.e-6 + +extern.new_Jacobian_each_cell = 0 amr.derive_plot_vars = density xmom ymom zmom eden Temp pressure x_velocity y_velocity z_velocity pelec.plot_rhoy = 0 @@ -58,8 +67,8 @@ pelec.diffuse_spec=1 pelec.diffuse_vel=1 pelec.sdc_iters = 2 pelec.flame_trac_name = HO2 +pelec.do_mol=0 -pelec.do_mol_AD=1 -eb2.geom_type=all_regular - -amrex.signal_handling=0 +eb2.use_eb2 = 1 +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/ExecCpp/RegTests/Sedov/CMakeLists.txt b/ExecCpp/RegTests/Sedov/CMakeLists.txt new file mode 100644 index 000000000..c74b88585 --- /dev/null +++ b/ExecCpp/RegTests/Sedov/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_Sedov) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS OFF) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL GammaLaw) +set(PELEC_REACTIONS_MODEL Null) +set(PELEC_CHEMISTRY_MODEL Null) +set(PELEC_TRANSPORT_MODEL Constant) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/Sedov/GNUmakefile b/ExecCpp/RegTests/Sedov/GNUmakefile new file mode 100644 index 000000000..0129bb783 --- /dev/null +++ b/ExecCpp/RegTests/Sedov/GNUmakefile @@ -0,0 +1,37 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = FALSE +USE_EB = FALSE +Eos_dir := GammaLaw +Reactions_dir := Null +Transport_dir := Constant + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/Sedov/Make.package b/ExecCpp/RegTests/Sedov/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/RegTests/Sedov/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/Sedov/inputs_ex b/ExecCpp/RegTests/Sedov/inputs_ex new file mode 100644 index 000000000..c5e8fd252 --- /dev/null +++ b/ExecCpp/RegTests/Sedov/inputs_ex @@ -0,0 +1,65 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 250 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical + +geometry.prob_lo = 0. 0. 0. +geometry.prob_hi = 1. 1. 1. + +#amr.n_cell = 128 128 128 +amr.n_cell = 64 64 64 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "SlipWall" "SlipWall" "SlipWall" +pelec.hi_bc = "SlipWall" "SlipWall" "SlipWall" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 0 +pelec.diffuse_temp = 0 +pelec.diffuse_spec = 0 +pelec.do_react = 0 +pelec.allow_negative_energy = 0 + +# TIME STEP CONTROL +pelec.cfl = 0.5 # cfl number for hyperbolic system +pelec.init_shrink = 0.01 # scale back initial timestep +pelec.change_max = 1.1 # scale back initial timestep +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 10 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 100 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 0 +amr.plot_file = plt # root name of plotfile +amr.plot_int = 100 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure + +# PROBLEM PARAMETERS +prob.r_init = 0.01 +prob.p_ambient = 1.e-5 +prob.dens_ambient = 1.0 +prob.exp_energy = 1.0 +prob.nsub = 10 diff --git a/ExecCpp/RegTests/Sedov/prob.H b/ExecCpp/RegTests/Sedov/prob.H new file mode 100644 index 000000000..76f352044 --- /dev/null +++ b/ExecCpp/RegTests/Sedov/prob.H @@ -0,0 +1,135 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include +#include +#include + +// #include "mechanism.h" + +#include "IndexDefines.H" +#include "Constants.H" +#include "EOS.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + // Set explosion pressure -- we will convert the point-explosion energy into + // a corresponding pressure distributed throughout the perturbed volume + amrex::Real vctr = + 4.0 / 3.0 * M_PI * (ProbParm::r_init * ProbParm::r_init * ProbParm::r_init); + amrex::Real p_exp = (EOS::gamma - 1.0) * ProbParm::exp_energy / vctr; + + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + AMREX_D_TERM(const amrex::Real xmin = prob_lo[0] + (i + 0.5) * dx[0]; + , const amrex::Real ymin = prob_lo[1] + (j + 0.5) * dx[1]; + , const amrex::Real zmin = prob_lo[2] + (k + 0.5) * dx[2];) + + AMREX_D_TERM( + amrex::Real dx_sub = dx[0] / static_cast(ProbParm::nsub); + amrex::Real ctr_x = 0.5 * (prob_lo[0] + prob_hi[0]); + , amrex::Real dy_sub = dx[1] / static_cast(ProbParm::nsub); + amrex::Real ctr_y = 0.5 * (prob_lo[1] + prob_hi[2]); + , amrex::Real dz_sub = dx[2] / static_cast(ProbParm::nsub); + amrex::Real ctr_z = 0.5 * (prob_lo[1] + prob_hi[2]);) + + // We initialize by summing over subvolumes of each cell + int npert = 0; + int n_amb = 0; + +#if AMREX_SPACEDIM > 2 + for (int kk = 0; kk < ProbParm::nsub; kk++) { + const amrex::Real z = zmin + (kk + 0.5) * dz_sub - ctr_z; +#endif +#if AMREX_SPACEDIM > 1 + for (int jj = 0; jj < ProbParm::nsub; jj++) { + const amrex::Real y = ymin + (jj + 0.5) * dy_sub - ctr_y; +#endif + for (int ii = 0; ii < ProbParm::nsub; ii++) { + const amrex::Real x = xmin + (ii + 0.5) * dx_sub - ctr_x; + + amrex::Real dist = AMREX_D_TERM(x * x, +y * y, +z * z); + + if (dist <= ProbParm::r_init * ProbParm::r_init) { + npert += 1; + } else { + n_amb += 1; + } + } +#if AMREX_SPACEDIM > 1 + } +#endif +#if AMREX_SPACEDIM > 2 + } +#endif + + amrex::Real p_zone = + (static_cast(npert) * p_exp + + static_cast(n_amb) * ProbParm::p_ambient) / + static_cast(ProbParm::nsub * ProbParm::nsub * ProbParm::nsub); + + amrex::Real eint = p_zone / (EOS::gamma - 1.0); + + state(i, j, k, URHO) = ProbParm::dens_ambient; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = 0.0; + + state(i, j, k, UEDEN) = eint + 0.5 * + (state(i, j, k, UMX) * state(i, j, k, UMX) + + state(i, j, k, UMY) * state(i, j, k, UMY) + + state(i, j, k, UMZ) * state(i, j, k, UMZ)) / + state(i, j, k, URHO); + + state(i, j, k, UEINT) = eint; + + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = 0; + + state(i, j, k, UFS) = state(i, j, k, URHO); + + amrex::Real T; + amrex::Real e = eint / state(i, j, k, URHO); + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + EOS::EY2T(e, massfrac, T); + state(i, j, k, UTEMP) = T; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + for (int n = 0; n < NVAR; n++) { + s_ext[n] = s_int[n]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/Sedov/prob.cpp b/ExecCpp/RegTests/Sedov/prob.cpp new file mode 100644 index 000000000..2c9037a95 --- /dev/null +++ b/ExecCpp/RegTests/Sedov/prob.cpp @@ -0,0 +1,47 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real p_ambient; +AMREX_GPU_DEVICE_MANAGED amrex::Real dens_ambient; +AMREX_GPU_DEVICE_MANAGED amrex::Real exp_energy; +AMREX_GPU_DEVICE_MANAGED amrex::Real r_init; +AMREX_GPU_DEVICE_MANAGED int nsub; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("p_ambient", ProbParm::p_ambient); + pp.query("dens_ambient", ProbParm::dens_ambient); + pp.query("exp_energy", ProbParm::exp_energy); + pp.query("r_init", ProbParm::r_init); + pp.query("nsub", ProbParm::nsub); +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/RegTests/Sedov/prob_parm.H b/ExecCpp/RegTests/Sedov/prob_parm.H new file mode 100644 index 000000000..e68ae8b25 --- /dev/null +++ b/ExecCpp/RegTests/Sedov/prob_parm.H @@ -0,0 +1,17 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_ambient; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real dens_ambient; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real exp_energy; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real r_init; +extern AMREX_GPU_DEVICE_MANAGED int nsub; +extern AMREX_GPU_DEVICE_MANAGED amrex::GpuArray + split; +} // namespace ProbParm + +#endif diff --git a/ExecCpp/RegTests/Sod/CMakeLists.txt b/ExecCpp/RegTests/Sod/CMakeLists.txt new file mode 100644 index 000000000..932eb8a14 --- /dev/null +++ b/ExecCpp/RegTests/Sod/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_Sod) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS OFF) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL GammaLaw) +set(PELEC_REACTIONS_MODEL Null) +set(PELEC_CHEMISTRY_MODEL Null) +set(PELEC_TRANSPORT_MODEL Constant) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/Sod/GNUmakefile b/ExecCpp/RegTests/Sod/GNUmakefile new file mode 100644 index 000000000..0129bb783 --- /dev/null +++ b/ExecCpp/RegTests/Sod/GNUmakefile @@ -0,0 +1,37 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = FALSE +USE_EB = FALSE +Eos_dir := GammaLaw +Reactions_dir := Null +Transport_dir := Constant + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/Sod/Make.package b/ExecCpp/RegTests/Sod/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/RegTests/Sod/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/Sod/inputs_ex b/ExecCpp/RegTests/Sod/inputs_ex new file mode 100644 index 000000000..31e3fa615 --- /dev/null +++ b/ExecCpp/RegTests/Sod/inputs_ex @@ -0,0 +1,66 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 10000 +stop_time = 0.2 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0 0 0 +geometry.prob_hi = 1 0.125 0.125 +amr.n_cell = 32 4 4 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "Hard" "SlipWall" "SlipWall" +pelec.hi_bc = "Hard" "SlipWall" "SlipWall" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 0 +pelec.diffuse_temp = 0 +pelec.diffuse_spec = 0 +pelec.do_react = 0 +pelec.allow_negative_energy = 0 + +# TIME STEP CONTROL +pelec.cfl = 0.9 # cfl number for hyperbolic system +pelec.init_shrink = 0.1 # scale back initial timestep +pelec.change_max = 1.05 # scale back initial timestep +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 100 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 1 +amr.plot_file = plt # root name of plotfile +amr.plot_int = 100 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure + +# PROBLEM PARAMETERS +prob.p_l = 1.0 +prob.u_l = 0.0 +prob.rho_l = 1.0 +prob.p_r = 0.1 +prob.u_r = 0.0 +prob.rho_r = 0.125 +prob.idir = 1 +frac = 0.5 \ No newline at end of file diff --git a/ExecCpp/RegTests/Sod/prob.H b/ExecCpp/RegTests/Sod/prob.H new file mode 100644 index 000000000..d3bf81ba4 --- /dev/null +++ b/ExecCpp/RegTests/Sod/prob.H @@ -0,0 +1,138 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include +#include +#include + +#include "mechanism.h" + +#include "IndexDefines.H" +#include "Constants.H" +#include "EOS.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + amrex::Real z = 0; +#if AMREX_SPACEDIM == 3 + z = prob_lo[2] + (k + 0.5) * dx[2]; +#endif + + // Set the states + if (ProbParm::idir == 1) { + if (x <= ProbParm::split[0]) { + state(i, j, k, URHO) = ProbParm::rho_l; + state(i, j, k, UMX) = ProbParm::rho_l * ProbParm::u_l; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_l + 0.5 * ProbParm::rho_l * + ProbParm::u_l * + ProbParm::u_l; + state(i, j, k, UEINT) = ProbParm::rhoe_l; + state(i, j, k, UTEMP) = ProbParm::T_l; + } else { + state(i, j, k, URHO) = ProbParm::rho_r; + state(i, j, k, UMX) = ProbParm::rho_r * ProbParm::u_r; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_r + 0.5 * ProbParm::rho_r * + ProbParm::u_r * + ProbParm::u_r; + state(i, j, k, UEINT) = ProbParm::rhoe_r; + state(i, j, k, UTEMP) = ProbParm::T_r; + } + } else if (ProbParm::idir == 2) { + if (y <= ProbParm::split[1]) { + state(i, j, k, URHO) = ProbParm::rho_l; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = ProbParm::rho_l * ProbParm::u_l; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_l + 0.5 * ProbParm::rho_l * + ProbParm::u_l * + ProbParm::u_l; + state(i, j, k, UEINT) = ProbParm::rhoe_l; + state(i, j, k, UTEMP) = ProbParm::T_l; + } else { + state(i, j, k, URHO) = ProbParm::rho_r; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = ProbParm::rho_r * ProbParm::u_r; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEDEN) = ProbParm::rhoe_r + 0.5 * ProbParm::rho_r * + ProbParm::u_r * + ProbParm::u_r; + state(i, j, k, UEINT) = ProbParm::rhoe_r; + state(i, j, k, UTEMP) = ProbParm::T_r; + } + } else if (ProbParm::idir == 3) { + if (z <= ProbParm::split[2]) { + state(i, j, k, URHO) = ProbParm::rho_l; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = ProbParm::rho_l * ProbParm::u_l; + state(i, j, k, UEDEN) = ProbParm::rhoe_l + 0.5 * ProbParm::rho_l * + ProbParm::u_l * + ProbParm::u_l; + state(i, j, k, UEINT) = ProbParm::rhoe_l; + state(i, j, k, UTEMP) = ProbParm::T_l; + } else { + state(i, j, k, URHO) = ProbParm::rho_r; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = ProbParm::rho_r * ProbParm::u_r; + state(i, j, k, UEDEN) = ProbParm::rhoe_r + 0.5 * ProbParm::rho_r * + ProbParm::u_r * + ProbParm::u_r; + state(i, j, k, UEINT) = ProbParm::rhoe_r; + state(i, j, k, UTEMP) = ProbParm::T_r; + } + } else { + amrex::Abort("invalid idir"); + } + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = 0; + state(i, j, k, UFS) = state(i, j, k, URHO); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + for (int n = 0; n < NVAR; n++) { + s_ext[n] = s_int[n]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/Sod/prob.cpp b/ExecCpp/RegTests/Sod/prob.cpp new file mode 100644 index 000000000..fa0044a87 --- /dev/null +++ b/ExecCpp/RegTests/Sod/prob.cpp @@ -0,0 +1,88 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real p_l = 1.0; // left pressure (erg/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real u_l = 0.0; // left velocity (cm/s) +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_l = 0.0; // left density (g/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_l; +AMREX_GPU_DEVICE_MANAGED amrex::Real T_l = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p_r = 0.1; // right pressure (erg/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real u_r = 0.0; // right velocity (cm/s) +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_r = 0.125; // right density (g/cc) +AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_r; +AMREX_GPU_DEVICE_MANAGED amrex::Real T_r = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real frac = + 0.5; // fraction of the domain for the interface +AMREX_GPU_DEVICE_MANAGED bool use_Tinit = + false; // optionally use T_l/r instead of p_l/r for initialization +AMREX_GPU_DEVICE_MANAGED int idir = 1; // direction across which to jump +AMREX_GPU_DEVICE_MANAGED amrex::GpuArray split; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("p_l", ProbParm::p_l); + pp.query("u_l", ProbParm::u_l); + pp.query("rho_l", ProbParm::rho_l); + pp.query("T_l", ProbParm::T_l); + pp.query("p_r", ProbParm::p_r); + pp.query("u_r", ProbParm::u_r); + pp.query("rho_r", ProbParm::rho_r); + pp.query("T_r", ProbParm::T_r); + pp.query("frac", ProbParm::frac); + pp.query("idir", ProbParm::idir); + pp.query("use_Tinit", ProbParm::use_Tinit); + + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) { + ProbParm::split[idir] = ProbParm::frac * (problo[idir] + probhi[idir]); + } + + amrex::Real e_l, e_r, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[0] = 1.0; + + if (ProbParm::use_Tinit) { + EOS::RTY2P(ProbParm::rho_l, ProbParm::T_l, massfrac, ProbParm::p_l); + EOS::RYP2E(ProbParm::rho_l, massfrac, ProbParm::p_l, e_l); + ProbParm::rhoe_l = ProbParm::rho_l * e_l; + EOS::RTY2P(ProbParm::rho_r, ProbParm::T_r, massfrac, ProbParm::p_r); + EOS::RYP2E(ProbParm::rho_r, massfrac, ProbParm::p_r, e_r); + ProbParm::rhoe_r = ProbParm::rho_r * e_r; + } else { + EOS::RYP2E(ProbParm::rho_l, massfrac, ProbParm::p_l, e_l); + EOS::EY2T(e_l, massfrac, ProbParm::T_l); + ProbParm::rhoe_l = ProbParm::rho_l * e_l; + EOS::RYP2E(ProbParm::rho_r, massfrac, ProbParm::p_r, e_r); + EOS::EY2T(e_r, massfrac, ProbParm::T_r); + ProbParm::rhoe_r = ProbParm::rho_r * e_r; + } +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/RegTests/Sod/prob_parm.H b/ExecCpp/RegTests/Sod/prob_parm.H new file mode 100644 index 000000000..9b7d8f952 --- /dev/null +++ b/ExecCpp/RegTests/Sod/prob_parm.H @@ -0,0 +1,25 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T_l; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rhoe_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T_r; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real frac; +extern AMREX_GPU_DEVICE_MANAGED bool use_Tinit; +extern AMREX_GPU_DEVICE_MANAGED int idir; +extern AMREX_GPU_DEVICE_MANAGED amrex::GpuArray + split; +} // namespace ProbParm + +#endif diff --git a/Testing/test_files/sod-3d-1/sod-3d-1.i b/ExecCpp/RegTests/Sod/tests/sod-1/sod-1.i similarity index 82% rename from Testing/test_files/sod-3d-1/sod-3d-1.i rename to ExecCpp/RegTests/Sod/tests/sod-1/sod-1.i index 64eafe4f9..d21e37e77 100644 --- a/Testing/test_files/sod-3d-1/sod-3d-1.i +++ b/ExecCpp/RegTests/Sod/tests/sod-1/sod-1.i @@ -52,5 +52,26 @@ amr.plot_file = plt # root name of plotfile amr.plot_int = 10 # number of timesteps between plotfiles amr.derive_plot_vars = ALL # density xmom ymom zmom eden Temp pressure # these variables appear in the plotfile -#PROBIN FILENAME -amr.probin_file = sod-3d-1.probin +# PROBLEM PARAMETERS +prob.p_l = 1.0 +prob.u_l = 0.0 +prob.rho_l = 1.0 +prob.p_r = 0.1 +prob.u_r = 0.0 +prob.rho_r = 0.125 +prob.idir = 1 +prob.frac = 0.5 + +# TAGGING +tagging.denerr = 3 +tagging.dengrad = 0.01 +tagging.max_denerr_lev = 3 +tagging.max_dengrad_lev = 3 +tagging.presserr = 3 +tagging.pressgrad = 0.01 +tagging.max_presserr_lev = 3 +tagging.max_pressgrad_lev = 3 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/ExecCpp/RegTests/TG/CMakeLists.txt b/ExecCpp/RegTests/TG/CMakeLists.txt new file mode 100644 index 000000000..b5b3f8378 --- /dev/null +++ b/ExecCpp/RegTests/TG/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_TG) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS OFF) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL GammaLaw) +set(PELEC_REACTIONS_MODEL Null) +set(PELEC_CHEMISTRY_MODEL Null) +set(PELEC_TRANSPORT_MODEL Constant) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/TG/GNUmakefile b/ExecCpp/RegTests/TG/GNUmakefile new file mode 100644 index 000000000..0129bb783 --- /dev/null +++ b/ExecCpp/RegTests/TG/GNUmakefile @@ -0,0 +1,37 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = FALSE +USE_EB = FALSE +Eos_dir := GammaLaw +Reactions_dir := Null +Transport_dir := Constant + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/TG/Make.package b/ExecCpp/RegTests/TG/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/RegTests/TG/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/TG/README.md b/ExecCpp/RegTests/TG/README.md new file mode 100644 index 000000000..8eddeff67 --- /dev/null +++ b/ExecCpp/RegTests/TG/README.md @@ -0,0 +1,15 @@ +# Taylor-Green Vortex + +This setup is one of the test problems outlined by [the High-Order CFD +workshop](https://www.grc.nasa.gov/hiocfd/). + +A complete description of the problem can be +found +[here](https://www.grc.nasa.gov/hiocfd/wp-content/uploads/sites/22/case_c3.3.pdf) and +the reference data is +found +[here](https://www.grc.nasa.gov/wp-content/uploads/sites/22/C3.3_datafiles.zip). More +details of the problem and methods used to obtain the reference data +can be found in Bull and Jameson (2014) 7th AIAA Theoretical Fluid +Mechanics Conference (doi: 10.2514/6.2014-3210) and DeBonis (2013) +51st AIAA Aerospace Sciences Meeting (doi:10.2514/6.2013-382). diff --git a/ExecCpp/RegTests/TG/grids_file b/ExecCpp/RegTests/TG/grids_file new file mode 100644 index 000000000..50068b6a5 --- /dev/null +++ b/ExecCpp/RegTests/TG/grids_file @@ -0,0 +1,4 @@ +1 +2 +((0,0,0)(31,15,15)) +((16,0,16)(31,31,31)) diff --git a/ExecCpp/RegTests/TG/inputs_ex b/ExecCpp/RegTests/TG/inputs_ex new file mode 100644 index 000000000..7c41a832e --- /dev/null +++ b/ExecCpp/RegTests/TG/inputs_ex @@ -0,0 +1,77 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 100000000 +stop_time = 0.0018336339443081453 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = -1.0 -1.0 -1.0 +geometry.prob_hi = 1.0 1.0 1.0 +# use with single level +#amr.n_cell = 8 8 8 +#amr.n_cell = 16 16 16 +amr.n_cell = 32 32 32 +#amr.n_cell = 64 64 64 +#amr.n_cell = 128 128 128 +#amr.n_cell = 256 256 256 +#amr.n_cell = 512 512 512 +# use with 1 level of refinement +#amr.n_cell = 128 128 128 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.do_react = 0 +pelec.do_grav = 0 +pelec.allow_negative_energy = 0 +pelec.do_mol = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.3 # cfl number for hyperbolic system +pelec.init_shrink = 0.3 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +amr.data_log = datlog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +#amr.max_level = 1 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 64 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 100 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 1 +amr.plot_file = plt # root name of plotfile +amr.plot_int = 100 # number of timesteps between plotfiles +amr.plot_vars = density Temp +amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure + +# PROBLEM PARAMETERS +prob.reynolds = 1600.0 +prob.mach = 0.1 +prob.prandtl = 0.71 + +amrex.signal_handling=0 +#amrex.throw_handling=0 +fabarray.mfiter_tile_size = 1024000 8 8 \ No newline at end of file diff --git a/ExecCpp/RegTests/TG/prob.H b/ExecCpp/RegTests/TG/prob.H new file mode 100644 index 000000000..0dc5b579a --- /dev/null +++ b/ExecCpp/RegTests/TG/prob.H @@ -0,0 +1,146 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include +#include +#include + +#include "mechanism.h" + +#include "IndexDefines.H" +#include "Constants.H" +#include "EOS.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* prob_hi = geomdata.ProbHi(); + const amrex::Real* dx = geomdata.CellSize(); + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + amrex::Real z = 0; +#if AMREX_SPACEDIM == 3 + z = prob_lo[2] + (k + 0.5) * dx[2]; +#endif + + // TG functions + amrex::Real u[3] = {0.0}; + u[0] = ProbParm::v0 * sin(ProbParm::omega_x * x / ProbParm::L) * + cos(ProbParm::omega_y * y / ProbParm::L) * + cos(ProbParm::omega_z * z / ProbParm::L); + u[1] = -ProbParm::v0 * cos(ProbParm::omega_x * x / ProbParm::L) * + sin(ProbParm::omega_y * y / ProbParm::L) * + cos(ProbParm::omega_z * z / ProbParm::L); + if (ProbParm::convecting) { + u[0] += ProbParm::v0; + u[1] += ProbParm::v0; + } + const amrex::Real p = + ProbParm::p0 + ProbParm::rho0 * ProbParm::v0 * ProbParm::v0 / 16.0 * + (cos(2.0 * ProbParm::omega_x * x / ProbParm::L) + + cos(2.0 * ProbParm::omega_y * y / ProbParm::L)) * + (cos(2.0 * ProbParm::omega_z * z / ProbParm::L) + 2.0); + amrex::Real rho, eint; + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + EOS::PYT2RE(p, massfrac, ProbParm::T0, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = ProbParm::T0; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = rho * massfrac[n]; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ +} + +struct MyProbTagStruct +{ + AMREX_GPU_HOST_DEVICE + AMREX_FORCE_INLINE + static void set_problem_tags( + const int i, + const int j, + const int k, + amrex::Array4 const& tag, + amrex::Array4 const& field, + char tagval, + const amrex::GpuArray dx, + const amrex::GpuArray prob_lo, + const amrex::Real time, + const int level) noexcept + { + // could do problem specific tagging here + } +}; + +using ProblemTags = MyProbTagStruct; + +struct MyProbDeriveStruct +{ + static void + add(amrex::DeriveList& derive_lst, amrex::DescriptorList& desc_lst) + { + // Add derives as follows and define the derive function below: + // derive_lst.add( + // "varname", amrex::IndexType::TheCellType(), 1, pc_varname, + // the_same_box); + // derive_lst.addComponent("varname", desc_lst, State_Type, 0, NVAR); + } + + static void pc_varname( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) + { + auto const dat = datfab.array(); + auto arr = derfab.array(); + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // do something with arr + }); + } +}; + +void pc_prob_close(); + +using ProblemDerives = MyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/TG/prob.cpp b/ExecCpp/RegTests/TG/prob.cpp new file mode 100644 index 000000000..64e2bc91a --- /dev/null +++ b/ExecCpp/RegTests/TG/prob.cpp @@ -0,0 +1,95 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds = 1600.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real mach = 0.1; +AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl = 0.71; +AMREX_GPU_DEVICE_MANAGED bool convecting = false; +AMREX_GPU_DEVICE_MANAGED amrex::Real omega_x = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real omega_y = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real omega_z = 1.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_x = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_y = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L_z = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real L = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real p0 = 1.013e6; // [erg cm^-3] +AMREX_GPU_DEVICE_MANAGED amrex::Real T0 = 300.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real v0 = 0.0; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("reynolds", ProbParm::reynolds); + pp.query("mach", ProbParm::mach); + pp.query("prandtl", ProbParm::prandtl); + pp.query("convecting", ProbParm::convecting); + pp.query("omega_x", ProbParm::omega_x); + pp.query("omega_y", ProbParm::omega_y); + pp.query("omega_z", ProbParm::omega_z); + + // Define the length scale + ProbParm::L = 1.0 / PI; + ProbParm::L_x = probhi[0] - problo[0]; + ProbParm::L_y = probhi[1] - problo[1]; + ProbParm::L_z = probhi[2] - problo[2]; + + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {1.0}; + EOS::PYT2RE(ProbParm::p0, massfrac, ProbParm::T0, ProbParm::rho0, eint); + EOS::RTY2Cs(ProbParm::rho0, ProbParm::T0, massfrac, cs); + EOS::TY2Cp(ProbParm::T0, massfrac, cp); + + ProbParm::v0 = ProbParm::mach * cs; + transport_params::const_bulk_viscosity = 0.0; + transport_params::const_diffusivity = 0.0; + transport_params::const_viscosity = + ProbParm::rho0 * ProbParm::v0 * ProbParm::L / ProbParm::reynolds; + transport_params::const_conductivity = + transport_params::const_viscosity * cp / ProbParm::prandtl; + + // Output IC + std::ofstream ofs("ic.txt", std::ofstream::out); + amrex::Print(ofs) << "L, rho0, v0, p0, T0, gamma, mu, k, c_s0, Reynolds, " + "Mach, Prandtl, omega_x, omega_y, omega_z" + << std::endl; + amrex::Print(ofs).SetPrecision(17) + << ProbParm::L << "," << ProbParm::rho0 << "," << ProbParm::v0 << "," + << ProbParm::p0 << "," << ProbParm::T0 << "," << EOS::gamma << "," + << transport_params::const_viscosity << "," + << transport_params::const_conductivity << "," << cs << "," + << ProbParm::reynolds << "," << ProbParm::mach << "," << ProbParm::prandtl + << "," << ProbParm::omega_x << "," << ProbParm::omega_y << "," + << ProbParm::omega_z << std::endl; + ofs.close(); +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/RegTests/TG/prob_parm.H b/ExecCpp/RegTests/TG/prob_parm.H new file mode 100644 index 000000000..4d312cfee --- /dev/null +++ b/ExecCpp/RegTests/TG/prob_parm.H @@ -0,0 +1,25 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real reynolds; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real mach; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real prandtl; +extern AMREX_GPU_DEVICE_MANAGED bool convecting; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real omega_x; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real omega_y; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real omega_z; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_x; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_y; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L_z; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real L; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v0; +} // namespace ProbParm + +#endif diff --git a/ExecCpp/RegTests/TG/refdata/spectral_Re1600_512.gdiag b/ExecCpp/RegTests/TG/refdata/spectral_Re1600_512.gdiag new file mode 100644 index 000000000..aa4ec3278 --- /dev/null +++ b/ExecCpp/RegTests/TG/refdata/spectral_Re1600_512.gdiag @@ -0,0 +1,2002 @@ +# Spectral code - 512*512*512 +# Time - Energy - Dissipation rate (-dE/dt) - Enstrophy +0.0 0.125 0.00046874284 0.375 +0.01 0.124995312572 0.00046873893 0.374989843653 +0.02 0.124990625221 0.000468736 0.374987498403 +0.03 0.124985937852 0.000468742835 0.374992962973 +0.04 0.124981250365 0.000468759425 0.375006236792 +0.05 0.124976562663 0.000468785775 0.375027319999 +0.06 0.124971874649 0.000468821895 0.37505621344 +0.07 0.124967186225 0.000468867775 0.375092918664 +0.08 0.124962497294 0.000468923425 0.375137437929 +0.09 0.124957807757 0.00046898885 0.375189774192 +0.1 0.124953117517 0.000469064045 0.375249931114 +0.11 0.124948426476 0.00046914902 0.375317913056 +0.12 0.124943734536 0.000469243785 0.375393725078 +0.13 0.1249390416 0.000469348355001 0.375477372934 +0.14 0.124934347569 0.000469462715 0.375568863077 +0.15 0.124929652346 0.00046958689 0.375668202649 +0.16 0.124924955831 0.00046972089 0.375775399485 +0.17 0.124920257928 0.000469864715 0.37589046211 +0.18 0.124915558537 0.000470018395 0.376013399733 +0.19 0.12491085756 0.000470181925 0.376144222249 +0.2 0.124906154899 0.000470355319999 0.376282940234 +0.21 0.124901450454 0.000470538605001 0.376429564945 +0.22 0.124896744126 0.00047073179 0.376584108314 +0.23 0.124892035818 0.000470934885 0.376746582949 +0.24 0.124887325429 0.00047114791 0.376917002129 +0.25 0.12488261286 0.000471370885 0.377095379803 +0.26 0.124877898011 0.00047160383 0.377281730583 +0.27 0.124873180783 0.000471846755 0.377476069749 +0.28 0.124868461076 0.000472099685 0.377678413236 +0.29 0.124863738789 0.00047236265 0.377888777641 +0.3 0.124859013823 0.000472635655 0.378107180212 +0.31 0.124854286076 0.00047291873 0.378333638848 +0.32 0.124849555448 0.0004732119 0.378568172099 +0.33 0.124844821838 0.00047351519 0.378810799155 +0.34 0.124840085145 0.00047382862 0.37906153985 +0.35 0.124835345266 0.000474152215 0.379320414655 +0.36 0.1248306021 0.00047448601 0.379587444677 +0.37 0.124825855546 0.000474830025 0.37986265165 +0.38 0.1248211055 0.000475184285 0.380146057941 +0.39 0.12481635186 0.000475548825 0.380437686536 +0.4 0.124811594523 0.000475923674999 0.380737561045 +0.41 0.124806833387 0.00047630886 0.381045705692 +0.42 0.124802068346 0.000476704415 0.381362145317 +0.43 0.124797299298 0.000477110375 0.381686905367 +0.44 0.124792526139 0.00047752676 0.382020011898 +0.45 0.124787748763 0.000477953609999 0.382361491565 +0.46 0.124782967066 0.00047839097 0.382711371624 +0.47 0.124778180944 0.000478838865 0.383069679924 +0.48 0.124773390289 0.000479297325 0.383436444908 +0.49 0.124768594997 0.000479766395 0.383811695604 +0.5 0.124763794961 0.00048024611 0.384195461625 +0.51 0.124758990075 0.0004807365 0.384587773163 +0.52 0.124754180231 0.00048123762 0.384988660988 +0.53 0.124749365322 0.0004817495 0.38539815644 +0.54 0.124744545241 0.00048227217 0.385816291432 +0.55 0.124739719879 0.000482805685 0.386243098438 +0.56 0.124734889127 0.000483350085 0.386678610497 +0.57 0.124730052877 0.000483905405 0.387122861204 +0.58 0.124725211019 0.000484471689999 0.387575884708 +0.59 0.124720363444 0.000485048985 0.388037715711 +0.6 0.12471551004 0.000485637335 0.38850838946 +0.61 0.124710650697 0.000486236784999 0.388987941747 +0.62 0.124705785304 0.00048684738 0.389476408901 +0.63 0.124700913749 0.00048746916 0.389973827792 +0.64 0.124696035921 0.000488102175 0.39048023582 +0.65 0.124691151706 0.000488746475 0.390995670916 +0.66 0.124686260991 0.00048940211 0.391520171535 +0.67 0.124681363664 0.00049006913 0.392053776658 +0.68 0.124676459609 0.00049074757 0.392596525783 +0.69 0.124671548712 0.000491437495 0.393148458926 +0.7 0.124666630859 0.000492138955 0.393709616615 +0.71 0.124661705933 0.00049285199 0.394280039888 +0.72 0.124656773819 0.00049357666 0.39485977029 +0.73 0.1246518344 0.000494313015 0.39544884987 +0.74 0.124646887559 0.000495061115 0.396047321177 +0.75 0.124641933178 0.00049582101 0.396655227257 +0.76 0.124636971139 0.00049659275 0.397272611652 +0.77 0.124632001323 0.00049737639 0.397899518395 +0.78 0.124627023611 0.000498171995 0.398535992009 +0.79 0.124622037883 0.00049897961 0.399182077502 +0.8 0.124617044019 0.000499799295 0.399837820367 +0.81 0.124612041897 0.000500631115 0.400503266575 +0.82 0.124607031396 0.00050147512 0.40117846258 +0.83 0.124602012394 0.00050233137 0.401863455306 +0.84 0.124596984769 0.000503199925 0.402558292156 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1.3622e-9 +254.2582, 1.3956e-9 +254.2578, 1.4297e-9 +254.2574, 1.4647e-9 +254.2569, 1.5006e-9 +254.2565, 1.5373e-9 +254.2561, 1.5749e-9 +254.2556, 1.6135e-9 +254.2551, 1.653e-9 +254.2548, 1.6935e-9 +254.2544, 1.7349e-9 +254.2539, 1.7774e-9 +254.2535, 1.8209e-9 +254.253, 1.8655e-9 +254.2526, 1.9111e-9 +254.2522, 1.9579e-9 +254.2518, 2.0058e-9 +254.2513, 2.0549e-9 +254.2509, 2.1052e-9 +254.2505, 2.1568e-9 +254.2501, 2.2095e-9 +254.2496, 2.2636e-9 +254.2492, 2.319e-9 diff --git a/Testing/test_files/tg-3d-1/tg-3d-1.i b/ExecCpp/RegTests/TG/tests/tg-1/tg-1.i similarity index 90% rename from Testing/test_files/tg-3d-1/tg-3d-1.i rename to ExecCpp/RegTests/TG/tests/tg-1/tg-1.i index 1a95cd417..35f09c60b 100644 --- a/Testing/test_files/tg-3d-1/tg-3d-1.i +++ b/ExecCpp/RegTests/TG/tests/tg-1/tg-1.i @@ -1,6 +1,7 @@ # ------------------ INPUTS TO MAIN PROGRAM ------------------- -#stop_time = 0.0018336339443081453 -max_step = 10 +max_step = 100000000 +stop_time = 0.0018336339443081453 +max_step = 100 # PROBLEM SIZE & GEOMETRY geometry.is_periodic = 1 1 1 @@ -49,16 +50,20 @@ amr.max_grid_size = 64 amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est # CHECKPOINT FILES -amr.checkpoint_files_output = 0 amr.check_file = chk # root name of checkpoint file amr.check_int = 100 # number of timesteps between checkpoints # PLOTFILES -amr.plot_files_output = 1 amr.plot_file = plt # root name of plotfile amr.plot_int = 100 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure -#PROBIN FILENAME -amr.probin_file = tg-3d-1.probin +# PROBLEM PARAMETERS +prob.reynolds = 1600.0 +prob.mach = 0.1 +prob.prandtl = 0.71 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/tg-3d-2/tg-3d-2.i b/ExecCpp/RegTests/TG/tests/tg-2/tg-2.i similarity index 87% rename from Testing/test_files/tg-3d-2/tg-3d-2.i rename to ExecCpp/RegTests/TG/tests/tg-2/tg-2.i index c49fdfa62..01d4248e5 100644 --- a/Testing/test_files/tg-3d-2/tg-3d-2.i +++ b/ExecCpp/RegTests/TG/tests/tg-2/tg-2.i @@ -1,6 +1,6 @@ # ------------------ INPUTS TO MAIN PROGRAM ------------------- -#stop_time = 0.0018336339443081453 -max_step = 10 +max_step = 200 +stop_time = 0.0018336339443081453 # PROBLEM SIZE & GEOMETRY geometry.is_periodic = 1 1 1 @@ -38,7 +38,7 @@ amr.v = 1 # verbosity in Amr.cpp amr.data_log = datlog #amr.grid_log = grdlog # name of grid logging file -# REFINEMENT / REGRIDDING +# REFINEMENT / REGRIDDING amr.max_level = 1 # maximum level number allowed amr.ref_ratio = 2 2 2 2 # refinement ratio amr.regrid_int = 2 2 2 2 # how often to regrid @@ -47,16 +47,24 @@ amr.max_grid_size = 32 amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est # CHECKPOINT FILES -amr.checkpoint_files_output = 0 amr.check_file = chk # root name of checkpoint file amr.check_int = 100 # number of timesteps between checkpoints # PLOTFILES -amr.plot_files_output = 1 amr.plot_file = plt # root name of plotfile amr.plot_int = 100 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure -#PROBIN FILENAME -amr.probin_file = tg-3d-2.probin +# PROBLEM PARAMETERS +prob.reynolds = 1600.0 +prob.mach = 0.1 +prob.prandtl = 0.71 + +# TAGGING PARAMETERS +tagging.vorterr = 2e4 +tagging.max_vorterr_lev = 5 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/tg-3d-4/tg-3d-4.i b/ExecCpp/RegTests/TG/tests/tg-3/tg-3.i similarity index 86% rename from Testing/test_files/tg-3d-4/tg-3d-4.i rename to ExecCpp/RegTests/TG/tests/tg-3/tg-3.i index 899d974d4..e8aabcf2d 100644 --- a/Testing/test_files/tg-3d-4/tg-3d-4.i +++ b/ExecCpp/RegTests/TG/tests/tg-3/tg-3.i @@ -1,6 +1,7 @@ # ------------------ INPUTS TO MAIN PROGRAM ------------------- -#stop_time = 0.0018336339443081453 -max_step = 10 +max_step = 100000000 +stop_time = 0.0018336339443081453 +max_step = 100 # PROBLEM SIZE & GEOMETRY geometry.is_periodic = 1 1 1 @@ -8,7 +9,9 @@ geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical geometry.prob_lo = -1.0 -1.0 -1.0 geometry.prob_hi = 1.0 1.0 1.0 # use with single level -amr.n_cell = 32 32 32 +amr.n_cell = 64 64 64 +# use with 1 level of refinement +#amr.n_cell = 128 128 128 # >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< # Interior, UserBC, Symmetry, SlipWall, NoSlipWall @@ -17,7 +20,6 @@ pelec.lo_bc = "Interior" "Interior" "Interior" pelec.hi_bc = "Interior" "Interior" "Interior" # WHICH PHYSICS -pelec.do_mol_AD=1 pelec.do_hydro = 1 pelec.diffuse_vel = 1 pelec.diffuse_temp = 1 @@ -51,20 +53,20 @@ amr.max_grid_size = 16 amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est # CHECKPOINT FILES -amr.checkpoint_files_output = 0 amr.check_file = chk # root name of checkpoint file amr.check_int = 100 # number of timesteps between checkpoints # PLOTFILES -amr.plot_files_output = 1 amr.plot_file = plt # root name of plotfile amr.plot_int = 100 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure -#PROBIN FILENAME -amr.probin_file = tg-3d-4.probin - -#EB -eb2.geom_type="all_regular" +# PROBLEM PARAMETERS +prob.reynolds = 1600.0 +prob.mach = 0.1 +prob.prandtl = 0.71 +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/Testing/test_files/tg-3d-3/tg-3d-3.i b/ExecCpp/RegTests/TG/tests/tg-4/tg-4.i similarity index 86% rename from Testing/test_files/tg-3d-3/tg-3d-3.i rename to ExecCpp/RegTests/TG/tests/tg-4/tg-4.i index caed415d0..25fc6028e 100644 --- a/Testing/test_files/tg-3d-3/tg-3d-3.i +++ b/ExecCpp/RegTests/TG/tests/tg-4/tg-4.i @@ -1,6 +1,7 @@ # ------------------ INPUTS TO MAIN PROGRAM ------------------- -#stop_time = 0.0018336339443081453 -max_step = 10 +max_step = 100000000 +stop_time = 0.0018336339443081453 +max_step = 100 # PROBLEM SIZE & GEOMETRY geometry.is_periodic = 1 1 1 @@ -8,7 +9,9 @@ geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical geometry.prob_lo = -1.0 -1.0 -1.0 geometry.prob_hi = 1.0 1.0 1.0 # use with single level -amr.n_cell = 32 32 32 +amr.n_cell = 64 64 64 +# use with 1 level of refinement +#amr.n_cell = 128 128 128 # >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< # Interior, UserBC, Symmetry, SlipWall, NoSlipWall @@ -17,6 +20,7 @@ pelec.lo_bc = "Interior" "Interior" "Interior" pelec.hi_bc = "Interior" "Interior" "Interior" # WHICH PHYSICS +pelec.do_mol=1 pelec.do_hydro = 1 pelec.diffuse_vel = 1 pelec.diffuse_temp = 1 @@ -50,16 +54,20 @@ amr.max_grid_size = 16 amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est # CHECKPOINT FILES -amr.checkpoint_files_output = 0 amr.check_file = chk # root name of checkpoint file amr.check_int = 100 # number of timesteps between checkpoints # PLOTFILES -amr.plot_files_output = 1 amr.plot_file = plt # root name of plotfile amr.plot_int = 100 # number of timesteps between plotfiles amr.plot_vars = density Temp amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure -#PROBIN FILENAME -amr.probin_file = tg-3d-3.probin +# PROBLEM PARAMETERS +prob.reynolds = 1600.0 +prob.mach = 0.1 +prob.prandtl = 0.71 + +# EB +eb2.geom_type = "all_regular" +ebd.boundary_grad_stencil_type = 0 diff --git a/ExecCpp/RegTests/TG/visit_turbulence_expressions.xml b/ExecCpp/RegTests/TG/visit_turbulence_expressions.xml new file mode 100644 index 000000000..1bd267508 --- /dev/null +++ b/ExecCpp/RegTests/TG/visit_turbulence_expressions.xml @@ -0,0 +1,27 @@ + + + + lambda2 + lambda2(gradient(x_velocity),gradient(y_velocity),gradient(z_velocity)) + false + ScalarMeshVar + false + false + __none__ + + __none__ + false + + + q-criterion + q_criterion(gradient(x_velocity),gradient(y_velocity),gradient(z_velocity)) + false + ScalarMeshVar + false + false + __none__ + + __none__ + false + + diff --git a/ExecCpp/RegTests/zeroD/CMakeLists.txt b/ExecCpp/RegTests/zeroD/CMakeLists.txt new file mode 100644 index 000000000..b6e5816ac --- /dev/null +++ b/ExecCpp/RegTests/zeroD/CMakeLists.txt @@ -0,0 +1,23 @@ +set(pelec_exe_name pelec_zeroD) + +#Compile-time options for executable +set(PELEC_ENABLE_EB OFF) +set(PELEC_ENABLE_REACTIONS ON) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_REACTIONS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL LiDryer) +set(PELEC_TRANSPORT_MODEL Simple) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PRIVATE + prob_parm.H + prob.H + prob.cpp +) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) diff --git a/ExecCpp/RegTests/zeroD/GNUmakefile b/ExecCpp/RegTests/zeroD/GNUmakefile new file mode 100644 index 000000000..dc8c99568 --- /dev/null +++ b/ExecCpp/RegTests/zeroD/GNUmakefile @@ -0,0 +1,39 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_REACT = TRUE +USE_EB = FALSE +Eos_dir := Fuego +Reactions_dir := Fuego +Chemistry_Model := LiDryer +Transport_dir := Simple +USE_SUNDIALS_PP = FALSE + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/RegTests/zeroD/Make.package b/ExecCpp/RegTests/zeroD/Make.package new file mode 100644 index 000000000..f4ec29ee8 --- /dev/null +++ b/ExecCpp/RegTests/zeroD/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob_parm.H +CEXE_headers += prob.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/RegTests/zeroD/cantera_soln b/ExecCpp/RegTests/zeroD/cantera_soln new file mode 100644 index 000000000..208242b35 --- /dev/null +++ b/ExecCpp/RegTests/zeroD/cantera_soln @@ -0,0 +1,101 @@ +Time(s) Temperature(K) Y_H2 Y_O2 Y_OH +0.000010 1000.000000 0.060000 0.500000 0.000000 +0.000020 1000.000020 0.060000 0.500000 0.000000 +0.000030 1000.000096 0.060000 0.500000 0.000000 +0.000040 1000.000339 0.060000 0.500000 0.000000 +0.000050 1000.001081 0.060000 0.500000 0.000000 +0.000060 1000.003310 0.060000 0.499999 0.000000 +0.000070 1000.009987 0.060000 0.499996 0.000000 +0.000080 1000.030123 0.059999 0.499989 0.000000 +0.000090 1000.092302 0.059997 0.499968 0.000000 +0.000100 1000.298093 0.059991 0.499902 0.000001 +0.000110 1001.115916 0.059970 0.499681 0.000003 +0.000120 1005.837816 0.059860 0.498767 0.000022 +0.000130 1045.267791 0.058924 0.492132 0.000207 +0.000140 3089.166543 0.011364 0.076277 0.082709 +0.000150 3223.855808 0.010916 0.071423 0.083352 +0.000160 3223.856190 0.010916 0.071423 0.083352 +0.000170 3223.856190 0.010916 0.071423 0.083352 +0.000180 3223.856190 0.010916 0.071423 0.083352 +0.000190 3223.856190 0.010916 0.071423 0.083352 +0.000200 3223.856190 0.010916 0.071423 0.083352 +0.000210 3223.856190 0.010916 0.071423 0.083352 +0.000220 3223.856190 0.010916 0.071423 0.083352 +0.000230 3223.856190 0.010916 0.071423 0.083352 +0.000240 3223.856190 0.010916 0.071423 0.083352 +0.000250 3223.856190 0.010916 0.071423 0.083352 +0.000260 3223.856190 0.010916 0.071423 0.083352 +0.000270 3223.856190 0.010916 0.071423 0.083352 +0.000280 3223.856190 0.010916 0.071423 0.083352 +0.000290 3223.856190 0.010916 0.071423 0.083352 +0.000300 3223.856190 0.010916 0.071423 0.083352 +0.000310 3223.856190 0.010916 0.071423 0.083352 +0.000320 3223.856190 0.010916 0.071423 0.083352 +0.000330 3223.856190 0.010916 0.071423 0.083352 +0.000340 3223.856190 0.010916 0.071423 0.083352 +0.000350 3223.856190 0.010916 0.071423 0.083352 +0.000360 3223.856190 0.010916 0.071423 0.083352 +0.000370 3223.856190 0.010916 0.071423 0.083352 +0.000380 3223.856190 0.010916 0.071423 0.083352 +0.000390 3223.856190 0.010916 0.071423 0.083352 +0.000400 3223.856190 0.010916 0.071423 0.083352 +0.000410 3223.856190 0.010916 0.071423 0.083352 +0.000420 3223.856190 0.010916 0.071423 0.083352 +0.000430 3223.856190 0.010916 0.071423 0.083352 +0.000440 3223.856190 0.010916 0.071423 0.083352 +0.000450 3223.856190 0.010916 0.071423 0.083352 +0.000460 3223.856190 0.010916 0.071423 0.083352 +0.000470 3223.856190 0.010916 0.071423 0.083352 +0.000480 3223.856190 0.010916 0.071423 0.083352 +0.000490 3223.856190 0.010916 0.071423 0.083352 +0.000500 3223.856190 0.010916 0.071423 0.083352 +0.000510 3223.856190 0.010916 0.071423 0.083352 +0.000520 3223.856190 0.010916 0.071423 0.083352 +0.000530 3223.856190 0.010916 0.071423 0.083352 +0.000540 3223.856190 0.010916 0.071423 0.083352 +0.000550 3223.856190 0.010916 0.071423 0.083352 +0.000560 3223.856190 0.010916 0.071423 0.083352 +0.000570 3223.856190 0.010916 0.071423 0.083352 +0.000580 3223.856190 0.010916 0.071423 0.083352 +0.000590 3223.856190 0.010916 0.071423 0.083352 +0.000600 3223.856190 0.010916 0.071423 0.083352 +0.000610 3223.856190 0.010916 0.071423 0.083352 +0.000620 3223.856190 0.010916 0.071423 0.083352 +0.000630 3223.856190 0.010916 0.071423 0.083352 +0.000640 3223.856190 0.010916 0.071423 0.083352 +0.000650 3223.856190 0.010916 0.071423 0.083352 +0.000660 3223.856190 0.010916 0.071423 0.083352 +0.000670 3223.856190 0.010916 0.071423 0.083352 +0.000680 3223.856190 0.010916 0.071423 0.083352 +0.000690 3223.856190 0.010916 0.071423 0.083352 +0.000700 3223.856190 0.010916 0.071423 0.083352 +0.000710 3223.856190 0.010916 0.071423 0.083352 +0.000720 3223.856190 0.010916 0.071423 0.083352 +0.000730 3223.856190 0.010916 0.071423 0.083352 +0.000740 3223.856190 0.010916 0.071423 0.083352 +0.000750 3223.856190 0.010916 0.071423 0.083352 +0.000760 3223.856190 0.010916 0.071423 0.083352 +0.000770 3223.856190 0.010916 0.071423 0.083352 +0.000780 3223.856190 0.010916 0.071423 0.083352 +0.000790 3223.856190 0.010916 0.071423 0.083352 +0.000800 3223.856190 0.010916 0.071423 0.083352 +0.000810 3223.856190 0.010916 0.071423 0.083352 +0.000820 3223.856190 0.010916 0.071423 0.083352 +0.000830 3223.856190 0.010916 0.071423 0.083352 +0.000840 3223.856190 0.010916 0.071423 0.083352 +0.000850 3223.856190 0.010916 0.071423 0.083352 +0.000860 3223.856190 0.010916 0.071423 0.083352 +0.000870 3223.856190 0.010916 0.071423 0.083352 +0.000880 3223.856190 0.010916 0.071423 0.083352 +0.000890 3223.856190 0.010916 0.071423 0.083352 +0.000900 3223.856190 0.010916 0.071423 0.083352 +0.000910 3223.856190 0.010916 0.071423 0.083352 +0.000920 3223.856190 0.010916 0.071423 0.083352 +0.000930 3223.856190 0.010916 0.071423 0.083352 +0.000940 3223.856190 0.010916 0.071423 0.083352 +0.000950 3223.856190 0.010916 0.071423 0.083352 +0.000960 3223.856190 0.010916 0.071423 0.083352 +0.000970 3223.856190 0.010916 0.071423 0.083352 +0.000980 3223.856190 0.010916 0.071423 0.083352 +0.000990 3223.856190 0.010916 0.071423 0.083352 +0.001000 3223.856190 0.010916 0.071423 0.083352 diff --git a/ExecCpp/RegTests/zeroD/extract_data_yt.py b/ExecCpp/RegTests/zeroD/extract_data_yt.py new file mode 100644 index 000000000..1d030ce6f --- /dev/null +++ b/ExecCpp/RegTests/zeroD/extract_data_yt.py @@ -0,0 +1,41 @@ +import yt +from sys import argv +import matplotlib + +matplotlib.use("Agg") +import matplotlib.pyplot as plt +import numpy as np +import pandas as pd +import glob +import os + +# ================================================== +# this script extracts average temperature +# from multiple plot files +# example use python extract_data_yt.py "plt?????" +# ================================================== + +fn_pattern = argv[1] +fn_list = sorted(glob.glob(fn_pattern)) + +print(fn_list) +fname = "zerod_soln.dat" +outfile = open(fname, "w") + +for i, fn in enumerate(fn_list): + ds = yt.load(fn) + ad = ds.all_data() + meanTemp = np.mean(ad["Temp"]) + outfile.write("%e\t%e\n" % (ds.current_time, meanTemp)) + +outfile.close() + +# plot +ref = pd.read_csv("cantera_soln", delim_whitespace=True) +df = pd.read_csv(fname, delim_whitespace=True, header=None, names=["t", "temp"]) + +plt.figure() +plt.plot(ref["Time(s)"], ref["Temperature(K)"], label="Ref.") +plt.plot(df["t"], df["temp"], label="PeleC") +plt.legend() +plt.savefig("plot.png") diff --git a/Testing/test_files/fiab-2d/fiab-2d.i b/ExecCpp/RegTests/zeroD/inputs_ex similarity index 63% rename from Testing/test_files/fiab-2d/fiab-2d.i rename to ExecCpp/RegTests/zeroD/inputs_ex index b1e0ec85b..5ed1bcb86 100644 --- a/Testing/test_files/fiab-2d/fiab-2d.i +++ b/ExecCpp/RegTests/zeroD/inputs_ex @@ -1,23 +1,33 @@ # ------------------ INPUTS TO MAIN PROGRAM ------------------- -#stop_time = 6 -max_step = 10 +stop_time = 0.001 +max_step = 30000000 # PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 0 +geometry.is_periodic = 1 1 1 geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = 0.0 1.0 -geometry.prob_hi = 0.3125 6.0 -amr.n_cell = 8 128 +geometry.prob_lo = 0.0 0.0 0.0 +geometry.prob_hi = 1.0 1.0 1.0 +amr.n_cell = 2 2 2 #pelec.Riemann = 0 # 0: HLL, 1: JBB, 2: HLLC # >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< # Interior, UserBC, Symmetry, SlipWall, NoSlipWall # >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" "Hard" -pelec.hi_bc = "Interior" "Hard" +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +# WHICH PHYSICS +pelec.do_react = 1 +pelec.do_hydro = 1 +pelec.diffuse_temp = 0 +pelec.diffuse_enth = 0 +pelec.diffuse_spec = 0 +pelec.diffuse_vel = 0 +pelec.sdc_iters = 2 +pelec.flame_trac_name = HO2 # TIME STEP CONTROL -pelec.cfl = 0.5 # cfl number for hyperbolic system +pelec.cfl = 0.05 # cfl number for hyperbolic system pelec.init_shrink = 0.3 # scale back initial timestep pelec.change_max = 1.1 # scale back initial timestep pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt @@ -29,12 +39,12 @@ amr.v = 1 # verbosity in Amr.cpp #amr.grid_log = grdlog # name of grid logging file # REFINEMENT / REGRIDDING -amr.max_level = 2 # maximum level number allowed +amr.max_level = 0 # maximum level number allowed amr.ref_ratio = 2 2 2 2 # refinement ratio amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 8 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 8 2 2 # number of buffer cells in error est +amr.blocking_factor = 2 # block factor in grid generation +amr.max_grid_size = 2 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est # CHECKPOINT FILES amr.checkpoint_files_output = 0 @@ -45,23 +55,21 @@ amr.check_int = 500 # number of timesteps between checkpoints amr.plot_files_output = 1 amr.plot_file = plt # root name of plotfile amr.plot_int = 100 # number of timesteps between plotfiles - -#PROBIN FILENAME -amr.probin_file = fiab-2d.probin - amr.derive_plot_vars = density xmom ymom zmom eden Temp pressure x_velocity y_velocity pelec.plot_rhoy = 0 pelec.plot_massfrac = 1 -pelec.do_react = 1 -pelec.diffuse_temp=1 -pelec.diffuse_enth=1 -pelec.diffuse_spec=1 -pelec.diffuse_vel=1 -pelec.sdc_iters = 2 -pelec.flame_trac_name = HO2 -pelec.do_mol_AD=1 -eb2.geom_type=all_regular -pelec.riemann_solver = 3 +# PROBLEM PARAMETERS +prob.p_init = 1013250.0 +prob.Y_init_H2 = 0.06 +prob.Y_init_O2 = 0.5 +prob.Y_init_N2 = 0.44 +prob.T_init = 1000.0 + +# TAGGING +tagging.max_ftracerr_lev = 4 +tagging.ftracerr = 150e-6 amrex.signal_handling=0 +#amrex.throw_handling=0 + diff --git a/ExecCpp/RegTests/zeroD/prob.H b/ExecCpp/RegTests/zeroD/prob.H new file mode 100644 index 000000000..27a70ae0a --- /dev/null +++ b/ExecCpp/RegTests/zeroD/prob.H @@ -0,0 +1,59 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include +#include +#include + +#include "mechanism.h" + +#include "IndexDefines.H" +#include "EOS.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + // Set the state + state(i, j, k, URHO) = ProbParm::rho_init; + state(i, j, k, UMX) = 0.0; + state(i, j, k, UMY) = 0.0; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEINT) = ProbParm::rho_init * ProbParm::e_init; + state(i, j, k, UEDEN) = ProbParm::rho_init * ProbParm::e_init; + state(i, j, k, UTEMP) = ProbParm::T_init; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = ProbParm::rho_init * ProbParm::massfrac[n]; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/RegTests/zeroD/prob.cpp b/ExecCpp/RegTests/zeroD/prob.cpp new file mode 100644 index 000000000..0fbbf2926 --- /dev/null +++ b/ExecCpp/RegTests/zeroD/prob.cpp @@ -0,0 +1,60 @@ +#include "prob.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real p_init = 1013250.0; // 1 atm +AMREX_GPU_DEVICE_MANAGED amrex::Real Y_init_H2 = 0.06; +AMREX_GPU_DEVICE_MANAGED amrex::Real Y_init_O2 = 0.5; +AMREX_GPU_DEVICE_MANAGED amrex::Real Y_init_N2 = 0.44; +AMREX_GPU_DEVICE_MANAGED amrex::Real T_init = 940.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho_init = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real e_init = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::GpuArray massfrac = { + 0.0}; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + + // Parse params + amrex::ParmParse pp("prob"); + pp.query("p_init", ProbParm::p_init); + pp.query("Y_init_H2", ProbParm::Y_init_H2); + pp.query("Y_init_O2", ProbParm::Y_init_O2); + pp.query("Y_init_N2", ProbParm::Y_init_N2); + pp.query("T_init", ProbParm::T_init); + + // Initial values + ProbParm::massfrac[H2_ID] = ProbParm::Y_init_H2; + ProbParm::massfrac[O2_ID] = ProbParm::Y_init_O2; + ProbParm::massfrac[N2_ID] = ProbParm::Y_init_N2; + EOS::PYT2RE( + ProbParm::p_init, ProbParm::massfrac.begin(), ProbParm::T_init, + ProbParm::rho_init, ProbParm::e_init); +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/RegTests/zeroD/prob_parm.H b/ExecCpp/RegTests/zeroD/prob_parm.H new file mode 100644 index 000000000..3adeef7b2 --- /dev/null +++ b/ExecCpp/RegTests/zeroD/prob_parm.H @@ -0,0 +1,19 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p_init; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Y_init_H2; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Y_init_O2; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Y_init_N2; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T_init; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho_init; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real e_init; +extern AMREX_GPU_DEVICE_MANAGED amrex::GpuArray + massfrac; +} // namespace ProbParm + +#endif diff --git a/ExecCpp/Tutorials/CMakeLists.txt b/ExecCpp/Tutorials/CMakeLists.txt new file mode 100644 index 000000000..2fbf22b7b --- /dev/null +++ b/ExecCpp/Tutorials/CMakeLists.txt @@ -0,0 +1 @@ +#add_subdirectory(EB_BluffBody) diff --git a/ExecCpp/Tutorials/EB_BluffBody/GNUmakefile b/ExecCpp/Tutorials/EB_BluffBody/GNUmakefile new file mode 100644 index 000000000..6162c2f59 --- /dev/null +++ b/ExecCpp/Tutorials/EB_BluffBody/GNUmakefile @@ -0,0 +1,36 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_EB = TRUE +Eos_dir := GammaLaw +Reactions_dir := Null_air +Transport_dir := Constant + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/Tutorials/EB_BluffBody/Make.package b/ExecCpp/Tutorials/EB_BluffBody/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/Tutorials/EB_BluffBody/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/Tutorials/EB_BluffBody/inputs.3d b/ExecCpp/Tutorials/EB_BluffBody/inputs.3d new file mode 100644 index 000000000..56d1af698 --- /dev/null +++ b/ExecCpp/Tutorials/EB_BluffBody/inputs.3d @@ -0,0 +1,85 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 10 +stop_time = 6.0 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 1 +geometry.coord_sys = 0 # 0 => cart +geometry.prob_lo = 0 0 0 +geometry.prob_hi = 12.0 6.0 1.5 +amr.n_cell = 128 64 16 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< + +pelec.lo_bc = "Hard" "FOExtrap" "Interior" +pelec.hi_bc = "FOExtrap" "FOExtrap" "Interior" + +# Problem setup +pelec.eb_boundary_T = 300. +pelec.eb_isothermal = 1 + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.do_mol = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 0 +pelec.diffuse_temp = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_spec = 0 +pelec.diffuse_enth = 0 + +# TIME STEP CONTROL +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +pelec.cfl = 0.3 # cfl number for hyperbolic system +pelec.init_shrink = 0.8 # scale back initial timestep +pelec.change_max = 1.05 # maximum increase in dt over successive steps + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in PeleC cpp files +amr.v = 1 # verbosity in Amr.cpp +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 8 + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = -1 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 1 +amr.plot_file = plt +amr.plot_int = 100 +amr.derive_plot_vars=ALL + +#extruded triangles lets the user create a maximum of 5 triangles +#in 2D that will be extruded in the z direction +#make sure the coordinates are in anti-clockwise direction +#eb2.geom_type = "all_regular" +eb2.geom_type = "extruded_triangles" +extruded_triangles.num_tri = 2 +extruded_triangles.tri_0_point_0 = 4.25 3.01 0.0 +extruded_triangles.tri_0_point_1 = 5.25 2.01 0.0 +extruded_triangles.tri_0_point_2 = 5.25 4.01 0.0 + +extruded_triangles.tri_1_point_0 = 5.25 2.01 0.0 +extruded_triangles.tri_1_point_1 = 6.25 3.01 0.0 +extruded_triangles.tri_1_point_2 = 5.25 4.01 0.0 +ebd.boundary_grad_stencil_type = 0 + +prob.p = 1013250.0 +prob.rho = 0.00116 +prob.vx_in = 9000.0 +prob.vy_in = 0.0 +prob.Re_L = 625.0 +prob.Pr = 0.7 + +#fabarray.mfiter_tile_size = 1024 1024 1024 diff --git a/ExecCpp/Tutorials/EB_BluffBody/inputs_ex b/ExecCpp/Tutorials/EB_BluffBody/inputs_ex new file mode 100644 index 000000000..56d1af698 --- /dev/null +++ b/ExecCpp/Tutorials/EB_BluffBody/inputs_ex @@ -0,0 +1,85 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 10 +stop_time = 6.0 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 1 +geometry.coord_sys = 0 # 0 => cart +geometry.prob_lo = 0 0 0 +geometry.prob_hi = 12.0 6.0 1.5 +amr.n_cell = 128 64 16 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< + +pelec.lo_bc = "Hard" "FOExtrap" "Interior" +pelec.hi_bc = "FOExtrap" "FOExtrap" "Interior" + +# Problem setup +pelec.eb_boundary_T = 300. +pelec.eb_isothermal = 1 + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.do_mol = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 0 +pelec.diffuse_temp = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_spec = 0 +pelec.diffuse_enth = 0 + +# TIME STEP CONTROL +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +pelec.cfl = 0.3 # cfl number for hyperbolic system +pelec.init_shrink = 0.8 # scale back initial timestep +pelec.change_max = 1.05 # maximum increase in dt over successive steps + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in PeleC cpp files +amr.v = 1 # verbosity in Amr.cpp +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 8 + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = -1 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 1 +amr.plot_file = plt +amr.plot_int = 100 +amr.derive_plot_vars=ALL + +#extruded triangles lets the user create a maximum of 5 triangles +#in 2D that will be extruded in the z direction +#make sure the coordinates are in anti-clockwise direction +#eb2.geom_type = "all_regular" +eb2.geom_type = "extruded_triangles" +extruded_triangles.num_tri = 2 +extruded_triangles.tri_0_point_0 = 4.25 3.01 0.0 +extruded_triangles.tri_0_point_1 = 5.25 2.01 0.0 +extruded_triangles.tri_0_point_2 = 5.25 4.01 0.0 + +extruded_triangles.tri_1_point_0 = 5.25 2.01 0.0 +extruded_triangles.tri_1_point_1 = 6.25 3.01 0.0 +extruded_triangles.tri_1_point_2 = 5.25 4.01 0.0 +ebd.boundary_grad_stencil_type = 0 + +prob.p = 1013250.0 +prob.rho = 0.00116 +prob.vx_in = 9000.0 +prob.vy_in = 0.0 +prob.Re_L = 625.0 +prob.Pr = 0.7 + +#fabarray.mfiter_tile_size = 1024 1024 1024 diff --git a/ExecCpp/Tutorials/EB_BluffBody/prob.H b/ExecCpp/Tutorials/EB_BluffBody/prob.H new file mode 100644 index 000000000..ab2a67aaf --- /dev/null +++ b/ExecCpp/Tutorials/EB_BluffBody/prob.H @@ -0,0 +1,78 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include + +#include "mechanism.h" + +#include "IndexDefines.H" +#include "Constants.H" +#include "EOS.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* dx = geomdata.CellSize(); + + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + state(i, j, k, URHO) = ProbParm::rho; + state(i, j, k, UMX) = ProbParm::rho * ProbParm::vx_in; + state(i, j, k, UMY) = ProbParm::rho * ProbParm::vy_in; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEINT) = ProbParm::rho * ProbParm::eint; + state(i, j, k, UEDEN) = + ProbParm::rho * + (ProbParm::eint + 0.5 * (ProbParm::vx_in * ProbParm::vx_in + + ProbParm::vy_in * ProbParm::vy_in)); + state(i, j, k, UTEMP) = ProbParm::T; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = ProbParm::rho * ProbParm::massfrac[n]; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + s_ext[URHO] = ProbParm::rho; + s_ext[UMX] = ProbParm::rho * ProbParm::vx_in; + s_ext[UMY] = ProbParm::rho * ProbParm::vy_in; + s_ext[UMZ] = 0.0; + s_ext[UEINT] = ProbParm::rho * ProbParm::eint; + s_ext[UEDEN] = ProbParm::rho * + (ProbParm::eint + 0.5 * (ProbParm::vx_in * ProbParm::vx_in + + ProbParm::vy_in * ProbParm::vy_in)); + s_ext[UTEMP] = ProbParm::T; + for (int n = 0; n < NUM_SPECIES; n++) + s_ext[UFS + n] = ProbParm::rho * ProbParm::massfrac[n]; +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/Tutorials/EB_BluffBody/prob.cpp b/ExecCpp/Tutorials/EB_BluffBody/prob.cpp new file mode 100644 index 000000000..a59e0aeb6 --- /dev/null +++ b/ExecCpp/Tutorials/EB_BluffBody/prob.cpp @@ -0,0 +1,62 @@ +#include +#include + +#include "mechanism.h" + +#include "EOS.H" +#include "prob_parm.H" +#include "Transport.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real p = 1013250.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real T = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho = 0.00116; +AMREX_GPU_DEVICE_MANAGED amrex::Real eint = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real vx_in = 9000.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real vy_in = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real Re_L = 2500.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real Pr = 0.7; +AMREX_GPU_DEVICE_MANAGED amrex::GpuArray massfrac = { + 1.0}; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("p", ProbParm::p); + pp.query("rho", ProbParm::rho); + pp.query("vx_in", ProbParm::vx_in); + pp.query("vy_in", ProbParm::vy_in); + pp.query("Re_L", ProbParm::Re_L); + pp.query("Pr", ProbParm::Pr); + + amrex::Real L = (probhi[0] - problo[0]) * 0.2; + + amrex::Real cp = 0.0; + ProbParm::massfrac[0] = 1.0; + EOS::RYP2E( + ProbParm::rho, ProbParm::massfrac.begin(), ProbParm::p, ProbParm::eint); + EOS::EY2T(ProbParm::eint, ProbParm::massfrac.begin(), ProbParm::T); + EOS::TY2Cp(ProbParm::T, ProbParm::massfrac.begin(), cp); + + transport_params::const_bulk_viscosity = 0.0; + transport_params::const_diffusivity = 0.0; + transport_params::const_viscosity = + ProbParm::rho * ProbParm::vx_in * L / ProbParm::Re_L; + transport_params::const_conductivity = + transport_params::const_viscosity * cp / ProbParm::Pr; +} +} diff --git a/ExecCpp/Tutorials/EB_BluffBody/prob_parm.H b/ExecCpp/Tutorials/EB_BluffBody/prob_parm.H new file mode 100644 index 000000000..ef201eec6 --- /dev/null +++ b/ExecCpp/Tutorials/EB_BluffBody/prob_parm.H @@ -0,0 +1,20 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real eint; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real vx_in; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real vy_in; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Re_L; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Pr; +extern AMREX_GPU_DEVICE_MANAGED amrex::GpuArray + massfrac; +} // namespace ProbParm + +#endif diff --git a/ExecCpp/Tutorials/EB_Plane/GNUmakefile b/ExecCpp/Tutorials/EB_Plane/GNUmakefile new file mode 100644 index 000000000..6162c2f59 --- /dev/null +++ b/ExecCpp/Tutorials/EB_Plane/GNUmakefile @@ -0,0 +1,36 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_DPCPP = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +USE_EB = TRUE +Eos_dir := GammaLaw +Reactions_dir := Null_air +Transport_dir := Constant + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/ExecCpp/Make.PeleC diff --git a/ExecCpp/Tutorials/EB_Plane/Make.package b/ExecCpp/Tutorials/EB_Plane/Make.package new file mode 100644 index 000000000..bdc32b025 --- /dev/null +++ b/ExecCpp/Tutorials/EB_Plane/Make.package @@ -0,0 +1,3 @@ +CEXE_headers += prob.H +CEXE_headers += prob_parm.H +CEXE_sources += prob.cpp diff --git a/ExecCpp/Tutorials/EB_Plane/inputs_ex b/ExecCpp/Tutorials/EB_Plane/inputs_ex new file mode 100644 index 000000000..ae06e8ebf --- /dev/null +++ b/ExecCpp/Tutorials/EB_Plane/inputs_ex @@ -0,0 +1,85 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 10 +stop_time = 6.0 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 1 +geometry.coord_sys = 0 # 0 => cart +geometry.prob_lo = 0 0 0 +geometry.prob_hi = 7.5 0.9375 0.9375 +amr.n_cell = 64 8 8 + +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< +# Interior, UserBC, Symmetry, SlipWall, NoSlipWall +# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< + +pelec.lo_bc = "Hard" "FOExtrap" "Interior" +pelec.hi_bc = "FOExtrap" "FOExtrap" "Interior" + +# Problem setup +pelec.eb_boundary_T = 300. +pelec.eb_isothermal = 1 + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.do_mol = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 0 +pelec.diffuse_temp = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_spec = 0 +pelec.diffuse_enth = 0 + +# TIME STEP CONTROL +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +pelec.cfl = 0.3 # cfl number for hyperbolic system +pelec.init_shrink = 0.8 # scale back initial timestep +pelec.change_max = 1.05 # maximum increase in dt over successive steps + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = 1 # timesteps between computing mass +pelec.v = 1 # verbosity in PeleC cpp files +amr.v = 1 # verbosity in Amr.cpp +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 2 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 8 + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = -1 # number of timesteps between checkpoints + +# PLOTFILES +amr.plot_files_output = 0 +amr.plot_file = plt +amr.plot_int = 1 +amr.derive_plot_vars=ALL + +#extruded triangles lets the user create a maximum of 5 triangles +#in 2D that will be extruded in the z direction +#make sure the coordinates are in anti-clockwise direction +#eb2.geom_type = "all_regular" +eb2.geom_type = "moving_plane" +extruded_triangles.num_tri = 2 +extruded_triangles.tri_0_point_0 = 4.25 3.01 0.0 +extruded_triangles.tri_0_point_1 = 5.25 2.01 0.0 +extruded_triangles.tri_0_point_2 = 5.25 4.01 0.0 + +extruded_triangles.tri_1_point_0 = 5.25 2.01 0.0 +extruded_triangles.tri_1_point_1 = 6.25 3.01 0.0 +extruded_triangles.tri_1_point_2 = 5.25 4.01 0.0 +ebd.boundary_grad_stencil_type = 0 + +prob.p = 1013250.0 +prob.rho = 0.00116 +prob.vx_in = 9000.0 +prob.vy_in = 0.0 +prob.Re_L = 625.0 +prob.Pr = 0.7 + +#fabarray.mfiter_tile_size = 1024 1024 1024 diff --git a/ExecCpp/Tutorials/EB_Plane/prob.H b/ExecCpp/Tutorials/EB_Plane/prob.H new file mode 100644 index 000000000..ab2a67aaf --- /dev/null +++ b/ExecCpp/Tutorials/EB_Plane/prob.H @@ -0,0 +1,78 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include +#include + +#include "mechanism.h" + +#include "IndexDefines.H" +#include "Constants.H" +#include "EOS.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* dx = geomdata.CellSize(); + + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + state(i, j, k, URHO) = ProbParm::rho; + state(i, j, k, UMX) = ProbParm::rho * ProbParm::vx_in; + state(i, j, k, UMY) = ProbParm::rho * ProbParm::vy_in; + state(i, j, k, UMZ) = 0.0; + state(i, j, k, UEINT) = ProbParm::rho * ProbParm::eint; + state(i, j, k, UEDEN) = + ProbParm::rho * + (ProbParm::eint + 0.5 * (ProbParm::vx_in * ProbParm::vx_in + + ProbParm::vy_in * ProbParm::vy_in)); + state(i, j, k, UTEMP) = ProbParm::T; + for (int n = 0; n < NUM_SPECIES; n++) + state(i, j, k, UFS + n) = ProbParm::rho * ProbParm::massfrac[n]; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ + s_ext[URHO] = ProbParm::rho; + s_ext[UMX] = ProbParm::rho * ProbParm::vx_in; + s_ext[UMY] = ProbParm::rho * ProbParm::vy_in; + s_ext[UMZ] = 0.0; + s_ext[UEINT] = ProbParm::rho * ProbParm::eint; + s_ext[UEDEN] = ProbParm::rho * + (ProbParm::eint + 0.5 * (ProbParm::vx_in * ProbParm::vx_in + + ProbParm::vy_in * ProbParm::vy_in)); + s_ext[UTEMP] = ProbParm::T; + for (int n = 0; n < NUM_SPECIES; n++) + s_ext[UFS + n] = ProbParm::rho * ProbParm::massfrac[n]; +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/ExecCpp/Tutorials/EB_Plane/prob.cpp b/ExecCpp/Tutorials/EB_Plane/prob.cpp new file mode 100644 index 000000000..108cfb20e --- /dev/null +++ b/ExecCpp/Tutorials/EB_Plane/prob.cpp @@ -0,0 +1,62 @@ +#include +#include + +#include "mechanism.h" + +#include "EOS.H" +#include "prob_parm.H" +#include "Transport.H" + +namespace ProbParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real p = 1013250.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real T = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real rho = 0.00116; +AMREX_GPU_DEVICE_MANAGED amrex::Real eint = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real vx_in = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real vy_in = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real Re_L = 2500.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real Pr = 0.7; +AMREX_GPU_DEVICE_MANAGED amrex::GpuArray massfrac = { + 1.0}; +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("p", ProbParm::p); + pp.query("rho", ProbParm::rho); + pp.query("vx_in", ProbParm::vx_in); + pp.query("vy_in", ProbParm::vy_in); + pp.query("Re_L", ProbParm::Re_L); + pp.query("Pr", ProbParm::Pr); + + amrex::Real L = (probhi[0] - problo[0]) * 0.2; + + amrex::Real cp = 0.0; + ProbParm::massfrac[0] = 1.0; + EOS::RYP2E( + ProbParm::rho, ProbParm::massfrac.begin(), ProbParm::p, ProbParm::eint); + EOS::EY2T(ProbParm::eint, ProbParm::massfrac.begin(), ProbParm::T); + EOS::TY2Cp(ProbParm::T, ProbParm::massfrac.begin(), cp); + + transport_params::const_bulk_viscosity = 0.0; + transport_params::const_diffusivity = 0.0; + transport_params::const_viscosity = + ProbParm::rho * ProbParm::vx_in * L / ProbParm::Re_L; + transport_params::const_conductivity = + transport_params::const_viscosity * cp / ProbParm::Pr; +} +} diff --git a/ExecCpp/Tutorials/EB_Plane/prob_parm.H b/ExecCpp/Tutorials/EB_Plane/prob_parm.H new file mode 100644 index 000000000..ef201eec6 --- /dev/null +++ b/ExecCpp/Tutorials/EB_Plane/prob_parm.H @@ -0,0 +1,20 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real p; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real T; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real rho; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real eint; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real vx_in; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real vy_in; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Re_L; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real Pr; +extern AMREX_GPU_DEVICE_MANAGED amrex::GpuArray + massfrac; +} // namespace ProbParm + +#endif diff --git a/ExecCpp/UnitTests/AmrexTestEnv.H b/ExecCpp/UnitTests/AmrexTestEnv.H new file mode 100644 index 000000000..b0d66cb9f --- /dev/null +++ b/ExecCpp/UnitTests/AmrexTestEnv.H @@ -0,0 +1,62 @@ +#ifndef AMREXTESTENV_H +#define AMREXTESTENV_H + +#include "gtest/gtest.h" +#include "AMReX.H" +#include "AMReX_ParmParse.H" + +namespace pelec_tests { + +/** Global setup/teardown test enviroment configuration for PeleC unit tests + * + * This class is registered with GoogleTest infrastructure to perform global + * setup/teardown tasks. The base implementation calls the amrex::Initialize + * and amrex::Finalize calls. + * + * During the AmrexTestEnv::SetUp call, it also finalizes the amrex::ParmParse + * global instance so that each test can utilize a clean "input file". The user + * can disable this feature by passing `utest.keep_parameters=1` at the command + * line. + * + */ +class AmrexTestEnv : public ::testing::Environment +{ +public: + AmrexTestEnv(int& argc, char**& argv) : m_argc(argc), m_argv(argv) {} + + ~AmrexTestEnv() = default; + + void SetUp() override + { + amrex::Initialize(m_argc, m_argv, true, MPI_COMM_WORLD, []() { + amrex::ParmParse pp("amrex"); + if (!(pp.contains("v") || pp.contains("verbose"))) { + pp.add("verbose", -1); + pp.add("v", -1); + } + + pp.add("throw_exception", 1); + pp.add("signal_handling", 0); + }); + + // Call ParmParse::Finalize immediately to allow unit tests to start + // with a clean "input file". However, allow user to override this + // behavior through command line arguments. + amrex::ParmParse pp("utest"); + bool keep_parameters = false; + pp.query("keep_parameters", keep_parameters); + + if (!keep_parameters) + amrex::ParmParse::Finalize(); + } + + void TearDown() override { amrex::Finalize(); } + +protected: + int& m_argc; + char**& m_argv; +}; + +} // namespace pelec_tests + +#endif /* AMREXTESTENV_H */ diff --git a/ExecCpp/UnitTests/CMakeLists.txt b/ExecCpp/UnitTests/CMakeLists.txt new file mode 100644 index 000000000..266f02966 --- /dev/null +++ b/ExecCpp/UnitTests/CMakeLists.txt @@ -0,0 +1,27 @@ +set(pelec_exe_name pelec_unit_tests) + +#Compile-time options for executable +set(PELEC_ENABLE_REACTIONS OFF) +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_EOS_MODEL GammaLaw) +set(PELEC_REACTIONS_MODEL Null) +set(PELEC_CHEMISTRY_MODEL Null) +set(PELEC_TRANSPORT_MODEL Constant) + +add_executable(${pelec_exe_name} "") +target_sources(${pelec_exe_name} + PUBLIC + unit-tests-main.cpp + test-config.cpp + prob.cpp + prob.H + prob_parm.H + ) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) + +include(${CMAKE_SOURCE_DIR}/CMake/BuildPeleCExe.cmake) +build_pelec_exe(${pelec_exe_name}) + +target_include_directories(${pelec_exe_name} SYSTEM PRIVATE ${CMAKE_SOURCE_DIR}/Submodules/GoogleTest/googletest/include) +target_link_libraries(${pelec_exe_name} PRIVATE gtest) diff --git a/ExecCpp/UnitTests/prob.H b/ExecCpp/UnitTests/prob.H new file mode 100644 index 000000000..cee77f5d4 --- /dev/null +++ b/ExecCpp/UnitTests/prob.H @@ -0,0 +1,90 @@ +#ifndef _PROB_H_ +#define _PROB_H_ + +#include "ProblemDerive.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata) +{ + // Could init some data here +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real x[AMREX_SPACEDIM], + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int idir, + const int sgn, + const amrex::Real time, + amrex::GeometryData const& geomdata) +{ +} + +struct MyProbTagStruct +{ + AMREX_GPU_HOST_DEVICE + AMREX_FORCE_INLINE + static void set_problem_tags( + const int i, + const int j, + const int k, + amrex::Array4 const& tag, + amrex::Array4 const& field, + char tagval, + const amrex::GpuArray dx, + const amrex::GpuArray prob_lo, + const amrex::Real time, + const int level) noexcept + { + // could do problem specific tagging here + } +}; + +using ProblemTags = MyProbTagStruct; + +struct MyProbDeriveStruct +{ + static void + add(amrex::DeriveList& derive_lst, amrex::DescriptorList& desc_lst) + { + // Add derives as follows and define the derive function below: + // derive_lst.add( + // "varname", amrex::IndexType::TheCellType(), 1, pc_varname, + // the_same_box); + // derive_lst.addComponent("varname", desc_lst, State_Type, 0, NVAR); + } + + static void pc_varname( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) + { + auto const dat = datfab.array(); + auto arr = derfab.array(); + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // do something with arr + }); + } +}; + +void pc_prob_close(); + +using ProblemDerives = MyProbDeriveStruct; + +#endif diff --git a/ExecCpp/UnitTests/prob.cpp b/ExecCpp/UnitTests/prob.cpp new file mode 100644 index 000000000..d7de2f0b5 --- /dev/null +++ b/ExecCpp/UnitTests/prob.cpp @@ -0,0 +1,35 @@ +#include "prob.H" + +namespace ProbParm { +} // namespace ProbParm + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* init, + const int* name, + const int* namelen, + const amrex_real* problo, + const amrex_real* probhi) +{ +} +} + +#ifdef DO_PROBLEM_POST_TIMESTEP +void +PeleC::problem_post_timestep() +{ +} +#endif + +#ifdef DO_PROBLEM_POST_INIT +void +PeleC::problem_post_init() +{ +} +#endif diff --git a/ExecCpp/UnitTests/prob_parm.H b/ExecCpp/UnitTests/prob_parm.H new file mode 100644 index 000000000..f37e6f601 --- /dev/null +++ b/ExecCpp/UnitTests/prob_parm.H @@ -0,0 +1,10 @@ +#ifndef _PROB_PARM_H_ +#define _PROB_PARM_H_ + +#include +#include + +namespace ProbParm { +} // namespace ProbParm + +#endif diff --git a/ExecCpp/UnitTests/test-config.cpp b/ExecCpp/UnitTests/test-config.cpp new file mode 100644 index 000000000..5babf7b47 --- /dev/null +++ b/ExecCpp/UnitTests/test-config.cpp @@ -0,0 +1,84 @@ +/** \file test_config.cpp + * + * Tests various configurations for GPU builds + */ + +#include "gtest/gtest.h" +#include "AMReX_ccse-mpi.H" +#include "AMReX_ParallelDescriptor.H" +#include "AMReX_Print.H" +#include "AMReX_Gpu.H" + +namespace amrex { +const char* buildInfoGetGitHash(int i); +} + +namespace pelec_tests { + +TEST(Configuration, Build) +{ + const char* pc_git = amrex::buildInfoGetGitHash(1); + const char* amrex_git = amrex::buildInfoGetGitHash(2); + amrex::Print() << "PeleC SHA = " << pc_git << std::endl + << "AMReX SHA = " << amrex_git << std::endl; +} + +TEST(Configuration, MPI) +{ +#ifdef AMREX_USE_MPI + int nprocs = amrex::ParallelDescriptor::NProcs(); + + amrex::Print() << "MPI configuration: " << nprocs << " ranks" << std::endl; + char mpi_lib_ver[MPI_MAX_LIBRARY_VERSION_STRING]; + int len; + MPI_Get_library_version(mpi_lib_ver, &len); + amrex::Print() << mpi_lib_ver << std::endl; +#else + amrex::Print() << "PeleC not built with MPI support." << std::endl; + GTEST_SKIP(); +#endif +} + +TEST(Configuration, CUDA) +{ +#ifdef AMREX_USE_CUDA +#if defined(CUDA_VERSION) + amrex::Print() << "CUDA configuration: " + << "CUDA_VERSION: " << CUDA_VERSION << " " + << CUDA_VERSION / 1000 << "." << (CUDA_VERSION % 1000) / 10 + << std::endl; +#endif + cudaError_t error; + int ndevices; + cudaDeviceProp dev; + + error = cudaGetDeviceCount(&ndevices); + if (error != cudaSuccess) { + ADD_FAILURE() << cudaGetErrorString(error); + return; + } else { + std::cout << "Num. devices = " << ndevices << std::endl; + } + + const int myrank = amrex::ParallelDescriptor::MyProc(); + const int rankDevice = amrex::Gpu::Device::deviceId(); + error = cudaGetDeviceProperties(&dev, rankDevice); + if (error != cudaSuccess) { + ADD_FAILURE() << cudaGetErrorString(error); + return; + } + char busid[512]; + cudaDeviceGetPCIBusId(busid, 512, rankDevice); + std::cout << "[" << myrank << "] " << rankDevice << ": " << dev.name + << " CC: " << dev.major << "." << dev.minor << " ID: " << busid + << " GM: " << (static_cast(dev.totalGlobalMem) / (1 << 30)) + << "GB" + << " ShMem/Blk: " << (dev.sharedMemPerBlock / (1 << 10)) << "KB" + << std::endl; +#else + amrex::Print() << "PeleC not built with CUDA support" << std::endl; + GTEST_SKIP(); +#endif +} + +} // namespace pelec_tests diff --git a/ExecCpp/UnitTests/unit-tests-main.cpp b/ExecCpp/UnitTests/unit-tests-main.cpp new file mode 100644 index 000000000..706d5f482 --- /dev/null +++ b/ExecCpp/UnitTests/unit-tests-main.cpp @@ -0,0 +1,23 @@ +/** \file unit-tests-main.cpp + * Entry point for unit tests + */ + +#include "gtest/gtest.h" +#include "AmrexTestEnv.H" + +// Necessary as it's used in other source files +std::string inputs_name = ""; + +//! Global instance of the environment (for access in tests) +pelec_tests::AmrexTestEnv* utest_env = nullptr; + +int +main(int argc, char** argv) +{ + ::testing::InitGoogleTest(&argc, argv); + + utest_env = new pelec_tests::AmrexTestEnv(argc, argv); + ::testing::AddGlobalTestEnvironment(utest_env); + + return RUN_ALL_TESTS(); +} diff --git a/README.rst b/README.rst index 37c8a7d9c..86c29444e 100644 --- a/README.rst +++ b/README.rst @@ -5,19 +5,25 @@ PeleC `PeleC` is an adaptive-mesh compressible hydrodynamics code for reacting flows. + +A Note on the Current Status of PeleC Development +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +Please be aware that kernels previously written in Fortran in PeleC have been recently ported to C++ to allow for execution on GPUs. These new kernels are located in directories marked ``*Cpp``. The Fortran kernels are currently preserved in this repo using the original directory organization, as all functionality has not yet been ported to C++ and GPUs. However, development in Fortran will not continue and any future development should be done entirely in C++ and with the ability to execute the code within AMReX's GPU framework. The Fortran kernels will be phased out at a future date. This is done in order to run portably using CPUS, CUDA, HIP, and DPC++ programming model backends in the future. + Getting Started ~~~~~~~~~~~~~~~ -* To compile and run the `Pele` suite of codes, one needs a C++ compiler that supports the C++11 standard and a Fortran compiler that supports the 2003 standard. A hierarchical strategy for parallelism is supported, based MPI + OpenMP. The codes work with all major MPI and OpenMP implementations. The codes should build and run with no modifications to the `make` system if using a Linux system with the GNU compilers, version 4.8.4 and above. +* To compile and run the `Pele` suite of codes, one needs a C++ compiler that supports the C++14 standard. A hierarchical strategy for parallelism is supported, based MPI + OpenMP, or MPI + CUDA. The codes work with all major MPI and OpenMP implementations. The codes should build and run with no modifications to the `make` system if using a Linux system with the GNU compilers, version 4.9.4 and above. -To build `PeleC` and run a sample 2D flame problem: +To build `PeleC` and run a sample 3D flame problem: 1. One can have PeleC use the default submodules for AMReX and PelePhysics in its own repo by simply performing: :: git clone --recursive git@github.com:AMReX-Combustion/PeleC.git - cd PeleC/Exec/RegTests/PMF + cd PeleC/ExecCpp/RegTests/PMF make - ./Pele2d.xxx,yyy.ex inputs-2d-regt + ./Pele3d.xxx,yyy.ex inputs_ex Alternatively, one can set environment variables to use AMReX and PelePhysics repos from external locations: :: @@ -38,19 +44,18 @@ Alternatively, one can set environment variables to use AMReX and PelePhysics re 4. Move to an example build folder, build an executable, run a test case: :: - cd ${PELEC_HOME}/Exec/RegTests/PMF + cd ${PELEC_HOME}/ExecCpp/RegTests/PMF make - ./Pele2d.xxx,yyy.ex inputs-2d-regt + ./Pele3d.xxx,yyy.ex inputs_ex * Notes A. In the exec line above, xxx.yyy is a tag identifying your compiler and various build options, and will vary across pltaform. (Note that GNU compilers must be at least 4.8.4, and MPI should be at least version 3). - B. The example is 2D premixed flame, flowing vertically upward through the domain with no gravity. The lateral boundaries are periodic. A detailed hydrogen model is used. The solution is initialized with a wrinkled (perturbed) 1D steady flame solution computed using the PREMIX code. Two levels of solution-adaptive refinement are automatically triggered by the presence of the flame intermediate, HO2. + B. The example is 3D premixed flame, flowing vertically upward through the domain with no gravity. The lateral boundaries are periodic. A detailed hydrogen model is used. The solution is initialized with a wrinkled (perturbed) 2D steady flame solution computed using the PREMIX code. Two levels of solution-adaptive refinement are automatically triggered by the presence of the flame intermediate, HO2. C. In addition to informative output to the terminal, periodic plotfiles are written in the run folder. These may be viewed with CCSE's Amrvis () or Vis-It (): 1. In Vis-It, direct the File->Open dialogue to select the file named "Header" that is inside each plotfile folder.. - 2. With Amrvis, "amrvis2d plt00030", for example. - D. The sample case is one of the `PeleC` regresion tests, and is therefore quite small/coarse and quick to run. For a more significant test, replace the input file above with inputs-2d-fiab. + 2. With Amrvis, "amrvis3d plt00030", for example. Dependencies @@ -68,31 +73,25 @@ To add a new feature to PeleC, the procedure is: git checkout -b AmazingNewFeature -2. Develop against the submodules for AMReX and PelePhysics tracked in PeleC by updating them to the latest commits: :: - - cd PeleC/Submodules/AMReX && git checkout development && git pull - cd PeleC/Submodules/PelePhysics && git checkout development && git pull - -3. Develop the feature, merging changes often from the development branch into your AmazingNewFeature branch and commit the updated submodules as well: :: +2. Develop the feature, merging changes often from the development branch into your AmazingNewFeature branch: :: - git add Submodules/AMReX && git add Submodules/PelePhysics git commit -m "Developed AmazingNewFeature" git checkout development git pull [fix any identified conflicts between local and remote branches of "development"] git checkout AmazingNewFeature git merge development [fix any identified conflicts between "development" and "AmazingNewFeature"] -4. Push feature branch to PeleC repository: :: +3. Push feature branch to PeleC repository: :: git push -u origin AmazingNewFeature [Note: -u option required only for the first push of new branch] -5. Submit a merge request through git@github.com:AMReX-Combustion/PeleC.git, and make sure you are requesting a merge against the development branch +4. Submit a merge request through git@github.com:AMReX-Combustion/PeleC.git, and make sure you are requesting a merge against the development branch -6. Check the Travis CI status and make sure the tests passed for merge request +5. Check the CI status on Github and make sure the tests passed for merge request .. note:: - Travis CI uses the CMake build system and CTest to test the core source files of PeleC. If you are adding source files, you will need to add them to the list of source files in the ``CMake`` directory for the tests to pass. Make sure to add them to the GNU make makefiles as well. + Github CI uses the CMake build system and CTest to test the core source files of PeleC. If you are adding source files, you will need to add them to the list of source files in the ``CMake`` directory for the tests to pass. Make sure to add them to the GNU make makefiles as well. Test Status diff --git a/Source/PeleC_MOL.cpp b/Source/PeleC_MOL.cpp index e236a1f6c..6763ee458 100644 --- a/Source/PeleC_MOL.cpp +++ b/Source/PeleC_MOL.cpp @@ -233,9 +233,9 @@ PeleC::getMOLSrcTerm(const amrex::MultiFab& S, // Compute transport coefficients, coincident with Q { - BL_PROFILE("PeleC::get_transport_coeffs call"); + BL_PROFILE("PeleC::get_transport_coeffs_F call"); coeff_cc.resize(gbox, nCompTr); - get_transport_coeffs(ARLIM_3D(gbox.loVect()), + get_transport_coeffs_F(ARLIM_3D(gbox.loVect()), ARLIM_3D(gbox.hiVect()), BL_TO_FORTRAN_N_3D(Qfab, cQFS), BL_TO_FORTRAN_N_3D(Qfab, cQTEMP), diff --git a/Source/Src_1d/advection_util_1d.f90 b/Source/Src_1d/advection_util_1d.f90 index 106178790..b434f747e 100644 --- a/Source/Src_1d/advection_util_1d.f90 +++ b/Source/Src_1d/advection_util_1d.f90 @@ -10,7 +10,7 @@ module advection_util_1d_module subroutine normalize_species_fluxes(flux,flux_l1,flux_h1,lo,hi) - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UFS use amrex_constants_module @@ -47,7 +47,7 @@ end subroutine normalize_species_fluxes subroutine normalize_new_species(u,u_l1,u_h1,lo,hi) - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UFS use amrex_constants_module diff --git a/Source/Src_1d/diffterm_1d.f90 b/Source/Src_1d/diffterm_1d.f90 index 0d6ef9f21..b3d8a3510 100644 --- a/Source/Src_1d/diffterm_1d.f90 +++ b/Source/Src_1d/diffterm_1d.f90 @@ -24,7 +24,7 @@ subroutine pc_diffterm(lo, hi,& D, Dlo, Dhi,& deltax) bind(C, name = "pc_diffterm") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UMZ, UEDEN, UFS, QVAR, QU, QV, QPRES, QTEMP, QFS, QRHO use amrex_constants_module use eos_type_module diff --git a/Source/Src_1d/diffterm_nonideal_1d.f90 b/Source/Src_1d/diffterm_nonideal_1d.f90 index baead4cf8..2f63c6322 100644 --- a/Source/Src_1d/diffterm_nonideal_1d.f90 +++ b/Source/Src_1d/diffterm_nonideal_1d.f90 @@ -24,7 +24,7 @@ subroutine pc_diffterm(lo, hi,& D, Dlo, Dhi,& deltax) bind(C, name = "pc_diffterm") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UEDEN, UFS, QVAR, QU, QPRES, QTEMP, QFS, QRHO use amrex_constants_module use eos_type_module diff --git a/Source/Src_1d/impose_NSCBC_1d.f90 b/Source/Src_1d/impose_NSCBC_1d.f90 index 5eda4298c..bdf05a5c6 100644 --- a/Source/Src_1d/impose_NSCBC_1d.f90 +++ b/Source/Src_1d/impose_NSCBC_1d.f90 @@ -18,7 +18,7 @@ subroutine impose_NSCBC(lo, hi, domlo, domhi, & flag_nscbc_isAnyPerio, flag_nscbc_perio, & time,delta,dt) bind(C, name="impose_NSCBC") - use network, only : nspecies + use fuego_chemistry, only : nspecies use eos_module use fundamental_constants_module, only: k_B, n_A use amrex_fort_module diff --git a/Source/Src_1d/lesterm_1d.f90 b/Source/Src_1d/lesterm_1d.f90 index 8d8b266d3..37cff9ca9 100644 --- a/Source/Src_1d/lesterm_1d.f90 +++ b/Source/Src_1d/lesterm_1d.f90 @@ -26,7 +26,7 @@ subroutine pc_smagorinsky_sfs_term(lo, hi,& L, Llo, Lhi,& deltax) bind(C, name = "pc_smagorinsky_sfs_term") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UEDEN, QVAR, QRHO, QU, QW, QTEMP, QFS, Cs, CI, PrT use amrex_constants_module use eos_type_module @@ -116,7 +116,7 @@ subroutine pc_dynamic_smagorinsky_sfs_term(lo, hi,& L, Llo, Lhi,& deltax) bind(C, name = "pc_dynamic_smagorinsky_sfs_term") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UEDEN, QVAR, QRHO, QU, QTEMP, QFS use amrex_constants_module use eos_type_module diff --git a/Source/Src_1d/riemann_1d.F90 b/Source/Src_1d/riemann_1d.F90 index df280c694..af68bf36b 100644 --- a/Source/Src_1d/riemann_1d.F90 +++ b/Source/Src_1d/riemann_1d.F90 @@ -108,7 +108,7 @@ subroutine riemanncg(ql,qr,qpd_l1,qpd_h1,smallc,cav, & ! this implements the approximate Riemann solver of Colella & Glaz (1985) use amrex_fort_module - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_type_module use eos_module use riemann_util_module diff --git a/Source/Src_2d/Hyp_pele_MOL_2d.F90 b/Source/Src_2d/Hyp_pele_MOL_2d.F90 index 3032771ed..83a0fcc76 100644 --- a/Source/Src_2d/Hyp_pele_MOL_2d.F90 +++ b/Source/Src_2d/Hyp_pele_MOL_2d.F90 @@ -51,7 +51,7 @@ subroutine pc_hyp_mol_flux(lo, hi, & riemann_solver use slope_module, only : slopex, slopey - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_type_module use eos_module, only : eos_t, eos_rp use riemann_module, only: cmpflx, shock diff --git a/Source/Src_2d/advection_util_2d.f90 b/Source/Src_2d/advection_util_2d.f90 index 16466f07b..ff8f144a6 100644 --- a/Source/Src_2d/advection_util_2d.f90 +++ b/Source/Src_2d/advection_util_2d.f90 @@ -13,7 +13,7 @@ subroutine normalize_species_fluxes( & flux2,flux2_l1,flux2_l2,flux2_h1,flux2_h2, & lo,hi) - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UFS use amrex_constants_module @@ -70,7 +70,7 @@ end subroutine normalize_species_fluxes subroutine normalize_new_species(u,u_l1,u_l2,u_h1,u_h2,lo,hi) - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UFS use amrex_constants_module diff --git a/Source/Src_2d/diffterm_2d.f90 b/Source/Src_2d/diffterm_2d.f90 index 968f2afde..1a3c828d6 100644 --- a/Source/Src_2d/diffterm_2d.f90 +++ b/Source/Src_2d/diffterm_2d.f90 @@ -32,7 +32,7 @@ subroutine pc_diffterm(lo, hi,& D, Dlo, Dhi,& deltax) bind(C, name = "pc_diffterm") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UMZ, UEDEN, UFS, QVAR, QU, QV, QPRES, QTEMP, QFS, QRHO use amrex_constants_module use eos_type_module diff --git a/Source/Src_2d/diffterm_nonideal_2d.f90 b/Source/Src_2d/diffterm_nonideal_2d.f90 index 7377fdf43..fcb544027 100644 --- a/Source/Src_2d/diffterm_nonideal_2d.f90 +++ b/Source/Src_2d/diffterm_nonideal_2d.f90 @@ -32,7 +32,7 @@ subroutine pc_diffterm(lo, hi,& D, Dlo, Dhi,& deltax) bind(C, name = "pc_diffterm") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UEDEN, UFS, QVAR, QU, QV, QPRES, QTEMP, QFS, QRHO use amrex_constants_module use eos_type_module diff --git a/Source/Src_2d/impose_NSCBC_2d.f90 b/Source/Src_2d/impose_NSCBC_2d.f90 index 9980c403e..40ee3f85b 100644 --- a/Source/Src_2d/impose_NSCBC_2d.f90 +++ b/Source/Src_2d/impose_NSCBC_2d.f90 @@ -632,7 +632,7 @@ subroutine update_ghost_cells(i, j, bc_type, idir, isign, delta, & qaux, qa_l1, qa_l2, qa_h1, qa_h2) use eos_module - use network, only : nspecies + use fuego_chemistry, only : nspecies use amrex_constants_module, only : ONE use meth_params_module, only : NVAR, URHO, UMX, UMY, UMZ, UEDEN, UEINT, UTEMP,& UFS, NQAUX, QC, QGAMC, QRSPEC, & diff --git a/Source/Src_2d/lesterm_2d.f90 b/Source/Src_2d/lesterm_2d.f90 index 775bddef6..c04c15f3d 100644 --- a/Source/Src_2d/lesterm_2d.f90 +++ b/Source/Src_2d/lesterm_2d.f90 @@ -31,7 +31,7 @@ subroutine pc_smagorinsky_sfs_term(lo, hi,& L, Llo, Lhi,& deltax) bind(C, name = "pc_smagorinsky_sfs_term") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UEDEN, QVAR, QRHO, QU, QV, QTEMP, QFS, Cs, CI, PrT use amrex_constants_module use eos_type_module @@ -178,7 +178,7 @@ subroutine pc_dynamic_smagorinsky_sfs_term(lo, hi,& L, Llo, Lhi,& deltax) bind(C, name = "pc_dynamic_smagorinsky_sfs_term") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UEDEN, QVAR, QRHO, QU, QV, QTEMP, QFS use amrex_constants_module use eos_type_module diff --git a/Source/Src_2d/riemann_2d.F90 b/Source/Src_2d/riemann_2d.F90 index 5c3942761..0fc974853 100644 --- a/Source/Src_2d/riemann_2d.F90 +++ b/Source/Src_2d/riemann_2d.F90 @@ -378,7 +378,7 @@ subroutine riemanncg(ql,qr,qpd_l1,qpd_l2,qpd_h1,qpd_h2, & ! this implements the approximate Riemann solver of Colella & Glaz (1985) use amrex_fort_module - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_type_module use eos_module use prob_params_module, only : coord_type @@ -1185,7 +1185,7 @@ subroutine riemannmd(ql, qr, qpd_l1, qpd_l2, qpd_h1, qpd_h2, & idir, ilo1, ihi1, ilo2, ihi2, domlo, domhi) use prob_params_module, only : coord_type - use network, only : nspecies + use fuego_chemistry, only : nspecies use eos_module diff --git a/Source/Src_2d/slope_mol_2d_EB.f90 b/Source/Src_2d/slope_mol_2d_EB.f90 index 282b134fa..fb3dd87e6 100644 --- a/Source/Src_2d/slope_mol_2d_EB.f90 +++ b/Source/Src_2d/slope_mol_2d_EB.f90 @@ -25,7 +25,7 @@ subroutine slopex(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies implicit none @@ -134,7 +134,7 @@ subroutine slopey(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies implicit none diff --git a/Source/Src_2d/trace_ppm_2d.f90 b/Source/Src_2d/trace_ppm_2d.f90 index 1c185a2dd..4576b450f 100644 --- a/Source/Src_2d/trace_ppm_2d.f90 +++ b/Source/Src_2d/trace_ppm_2d.f90 @@ -18,7 +18,7 @@ subroutine trace_ppm(q,c,flatn,qd_l1,qd_l2,qd_h1,qd_h2, & gamc,gc_l1,gc_l2,gc_h1,gc_h2, & ilo1,ilo2,ihi1,ihi2,dx,dy,dt) - use network, only : nspecies + use fuego_chemistry, only : nspecies use eos_type_module use eos_module use amrex_constants_module diff --git a/Source/Src_2d/trans_2d.F90 b/Source/Src_2d/trans_2d.F90 index e012828fc..377503442 100644 --- a/Source/Src_2d/trans_2d.F90 +++ b/Source/Src_2d/trans_2d.F90 @@ -1,7 +1,7 @@ module transverse_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NQ, QVAR, NVAR, QRHO, QU, QV, QW, QPRES, QREINT, QGAME, & URHO, UMX, UMY, UEDEN, UEINT, QFS, QFX, & GDU, GDV, GDPRES, GDGAME, & diff --git a/Source/Src_3d/Hyp_pele_MOL_3d.F90 b/Source/Src_3d/Hyp_pele_MOL_3d.F90 index a1bfb19f3..917f68b0e 100644 --- a/Source/Src_3d/Hyp_pele_MOL_3d.F90 +++ b/Source/Src_3d/Hyp_pele_MOL_3d.F90 @@ -57,7 +57,7 @@ subroutine pc_hyp_mol_flux(lo, hi, & URHO, UMX, UMY, UMZ, UEDEN, UEINT, UFS, UTEMP, UFX, UFA, & eb_small_vfrac use slope_module, only : slopex, slopey, slopez - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_type_module use eos_module, only : eos_t, eos_rp use riemann_module, only: cmpflx, shock diff --git a/Source/Src_3d/PeleC_advection_3d.F90 b/Source/Src_3d/PeleC_advection_3d.F90 index 41dc9d9e7..405da36be 100644 --- a/Source/Src_3d/PeleC_advection_3d.F90 +++ b/Source/Src_3d/PeleC_advection_3d.F90 @@ -58,7 +58,7 @@ subroutine umeth3d(q, flatn, qd_lo, qd_hi, & transxy, transxz, transyz use ppm_module, only : ppm use slope_module, only : uslope, pslope - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_type_module use eos_module, only : eos_t, eos_rt use riemann_module, only: cmpflx, shock @@ -741,7 +741,7 @@ subroutine consup(uin,uin_lo,uin_hi, & eden_lost,xang_lost,yang_lost,zang_lost, & verbose) - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use meth_params_module, only : difmag, NVAR, URHO, UMX, UMY, UMZ, & UEDEN, UEINT, UTEMP, NGDNV, QVAR, track_grid_losses, limit_fluxes_on_small_dens use amrex_constants_module, only : ZERO, FOURTH, ONE diff --git a/Source/Src_3d/advection_util_3d.f90 b/Source/Src_3d/advection_util_3d.f90 index 4611df969..4d825b9a8 100644 --- a/Source/Src_3d/advection_util_3d.f90 +++ b/Source/Src_3d/advection_util_3d.f90 @@ -17,7 +17,7 @@ subroutine normalize_species_fluxes(flux1,flux1_lo,flux1_hi, & ! they sum to 0. This is essentially the CMA procedure that is ! defined in Plewa & Muller, 1999, A&A, 342, 179 - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UFS use amrex_constants_module diff --git a/Source/Src_3d/diffterm_3d.f90 b/Source/Src_3d/diffterm_3d.f90 index a03469bab..1497a736b 100644 --- a/Source/Src_3d/diffterm_3d.f90 +++ b/Source/Src_3d/diffterm_3d.f90 @@ -39,7 +39,7 @@ subroutine pc_diffterm(lo, hi,& D, Dlo, Dhi,& deltax) bind(C, name = "pc_diffterm") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UMZ, UEDEN, UFS, QVAR, QU, QV, QW, QPRES, QTEMP, QFS, QRHO use amrex_constants_module use eos_type_module diff --git a/Source/Src_3d/diffterm_nonideal_3d.f90 b/Source/Src_3d/diffterm_nonideal_3d.f90 index 98af0fb72..53b01c4c8 100644 --- a/Source/Src_3d/diffterm_nonideal_3d.f90 +++ b/Source/Src_3d/diffterm_nonideal_3d.f90 @@ -39,7 +39,7 @@ subroutine pc_diffterm(lo, hi,& D, Dlo, Dhi,& deltax) bind(C, name = "pc_diffterm") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UMZ, UEDEN, UFS, QVAR, QU, QV, QW, QPRES, QTEMP, QFS, QRHO use amrex_constants_module use eos_type_module diff --git a/Source/Src_3d/impose_NSCBC_3d.f90 b/Source/Src_3d/impose_NSCBC_3d.f90 index 3fe6e8d5c..f56fae8f8 100644 --- a/Source/Src_3d/impose_NSCBC_3d.f90 +++ b/Source/Src_3d/impose_NSCBC_3d.f90 @@ -1010,7 +1010,7 @@ subroutine update_ghost_cells(i, j, k, bc_type, idir, isign, delta, & use eos_module use amrex_constants_module, only : ONE - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UMX, UMY, UMZ, UEDEN, UEINT, UTEMP,& UFS, NQAUX, QC, QGAMC, QRSPEC, & QC, QDPDE, QDPDR, QCSML, QGAMC, & diff --git a/Source/Src_3d/lesterm_3d.f90 b/Source/Src_3d/lesterm_3d.f90 index 4b90c83bd..d4b89f15e 100644 --- a/Source/Src_3d/lesterm_3d.f90 +++ b/Source/Src_3d/lesterm_3d.f90 @@ -69,7 +69,7 @@ subroutine pc_smagorinsky_sfs_term(lo, hi,& L, Llo, Lhi,& deltax) bind(C, name = "pc_smagorinsky_sfs_term") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UMZ, UEDEN, QVAR, QRHO, QU, QW, QTEMP, QFS, Cs, CI, PrT use amrex_constants_module use eos_type_module @@ -295,7 +295,7 @@ subroutine pc_dynamic_smagorinsky_sfs_term(lo, hi,& L, Llo, Lhi,& deltax) bind(C, name = "pc_dynamic_smagorinsky_sfs_term") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, UMX, UMY, UMZ, UEDEN, QVAR, QRHO, QU, QW, QTEMP, QFS use amrex_constants_module use eos_type_module diff --git a/Source/Src_3d/riemann_3d.F90 b/Source/Src_3d/riemann_3d.F90 index 48f045cc7..1781953ba 100644 --- a/Source/Src_3d/riemann_3d.F90 +++ b/Source/Src_3d/riemann_3d.F90 @@ -36,7 +36,7 @@ subroutine cmpflx(qm, qp, qpd_lo, qpd_hi, & idir,ilo,ihi,jlo,jhi,kc,kflux,k3d,domlo,domhi) use amrex_mempool_module, only : bl_allocate, bl_deallocate - use network, only : nspecies + use fuego_chemistry, only : nspecies use eos_module implicit none @@ -381,7 +381,7 @@ subroutine riemanncg(ql,qr,qpd_lo,qpd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use prob_params_module, only : physbc_lo, physbc_hi, Symmetry, SlipWall, NoSlipWall - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_type_module use eos_module diff --git a/Source/Src_3d/slope_mol_3d.f90 b/Source/Src_3d/slope_mol_3d.f90 index 848815453..2d1c82e1a 100644 --- a/Source/Src_3d/slope_mol_3d.f90 +++ b/Source/Src_3d/slope_mol_3d.f90 @@ -21,7 +21,7 @@ subroutine slopex(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies implicit none @@ -144,7 +144,7 @@ subroutine slopey(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies implicit none @@ -270,7 +270,7 @@ subroutine slopez(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies implicit none diff --git a/Source/Src_3d/slope_mol_3d_EB.f90 b/Source/Src_3d/slope_mol_3d_EB.f90 index b965efc79..e4bc3d2bb 100644 --- a/Source/Src_3d/slope_mol_3d_EB.f90 +++ b/Source/Src_3d/slope_mol_3d_EB.f90 @@ -25,7 +25,7 @@ subroutine slopex(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies use prob_params_module, only : physbc_lo, physbc_hi, Inflow implicit none @@ -146,7 +146,7 @@ subroutine slopey(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies use prob_params_module, only : physbc_lo, physbc_hi, Inflow implicit none @@ -268,7 +268,7 @@ subroutine slopez(q,flatn,qd_lo,qd_hi, & use amrex_mempool_module, only : bl_allocate, bl_deallocate use meth_params_module use amrex_constants_module - use network, only : nspecies + use fuego_chemistry, only : nspecies use prob_params_module, only : physbc_lo, physbc_hi, Inflow implicit none diff --git a/Source/Src_3d/trace_3d.f90 b/Source/Src_3d/trace_3d.f90 index 00f532d90..271d03dff 100644 --- a/Source/Src_3d/trace_3d.f90 +++ b/Source/Src_3d/trace_3d.f90 @@ -13,7 +13,7 @@ subroutine tracexy(q,c,qd_lo,qd_hi, & qxm,qxp,qym,qyp,qpd_lo,qpd_hi, & ilo1,ilo2,ihi1,ihi2,dx,dt,kc,k3d) - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use meth_params_module, only : QVAR, QRHO, QU, QV, QW, & QREINT, QPRES, & npassive, qpass_map, small_dens, small_pres, ppm_type @@ -426,7 +426,7 @@ subroutine tracez(q,c,qd_lo,qd_hi, & qzm,qzp,qpd_lo,qpd_hi, & ilo1,ilo2,ihi1,ihi2,dx,dt,km,kc,k3d) - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use meth_params_module, only : QVAR, QRHO, QU, QV, QW, & QREINT, QPRES, & npassive, qpass_map, small_dens, small_pres, ppm_type diff --git a/Source/Src_3d/trace_ppm_3d.f90 b/Source/Src_3d/trace_ppm_3d.f90 index 085772fe6..d86ebfd67 100644 --- a/Source/Src_3d/trace_ppm_3d.f90 +++ b/Source/Src_3d/trace_ppm_3d.f90 @@ -17,7 +17,7 @@ subroutine tracexy_ppm(q,c,flatn,qd_lo,qd_hi, & gamc,gc_lo,gc_hi, & ilo1,ilo2,ihi1,ihi2,dt,kc,k3d) - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use meth_params_module, only : QVAR, QRHO, QU, QV, QW, & QREINT, QPRES, QGAME, & small_dens, small_pres, & @@ -964,7 +964,7 @@ subroutine tracez_ppm(q,c,flatn,qd_lo,qd_hi, & gamc,gc_lo,gc_hi, & ilo1,ilo2,ihi1,ihi2,dt,km,kc,k3d) - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use meth_params_module, only : QVAR, QRHO, QU, QV, QW, & QREINT, QPRES, QGAME, & small_dens, small_pres, & diff --git a/Source/Src_3d/trans_3d.F90 b/Source/Src_3d/trans_3d.F90 index e8bf0dad7..e1670b813 100644 --- a/Source/Src_3d/trans_3d.F90 +++ b/Source/Src_3d/trans_3d.F90 @@ -2,7 +2,7 @@ module transverse_module use amrex_constants_module - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use meth_params_module, only : NQ, QVAR, NVAR, QRHO, QU, QV, QW, & QPRES, QREINT, QGAME, QFS, QFX, & URHO, UMX, UMY, UMZ, UEDEN, UEINT, UFS, & diff --git a/Source/Src_nd/Derive_nd.F90 b/Source/Src_nd/Derive_nd.F90 index eb9fae791..ef7ea00c3 100644 --- a/Source/Src_nd/Derive_nd.F90 +++ b/Source/Src_nd/Derive_nd.F90 @@ -179,7 +179,7 @@ subroutine pc_deruplusc(vel,v_lo,v_hi,nv, & domhi,delta,xlo,time,dt,bc,level,grid_no) & bind(C, name="pc_deruplusc") - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_module use meth_params_module, only : URHO, UEINT, UTEMP, UFS, UFX use amrex_constants_module @@ -233,7 +233,7 @@ subroutine pc_deruminusc(vel,v_lo,v_hi,nv, & domhi,delta,xlo,time,dt,bc,level,grid_no) & bind(C, name="pc_deruminusc") - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_module use meth_params_module, only : URHO, UEINT, UTEMP, UFS, UFX use amrex_constants_module @@ -406,7 +406,7 @@ subroutine pc_derpres(p,p_lo,p_hi,ncomp_p, & domhi,dx,xlo,time,dt,bc,level,grid_no) & bind(C, name="pc_derpres") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use meth_params_module, only: URHO, UEINT, UTEMP, UFS, UFX use amrex_constants_module @@ -532,7 +532,7 @@ subroutine pc_dersoundspeed(c,c_lo,c_hi,ncomp_c, & domhi,dx,xlo,time,dt,bc,level,grid_no) & bind(C, name="pc_dersoundspeed") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use meth_params_module, only: URHO, UEINT, UTEMP, UFS, UFX use amrex_constants_module @@ -584,7 +584,7 @@ subroutine pc_dermachnumber(mach,m_lo,m_hi,ncomp_mach, & domhi,dx,xlo,time,dt,bc,level,grid_no) & bind(C, name="pc_dermachnumber") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use meth_params_module, only: URHO, UMX, UMZ, UEINT, UTEMP, UFS, UFX use amrex_constants_module @@ -636,7 +636,7 @@ subroutine pc_derentropy(s,s_lo,s_hi,ncomp_s, & domhi,dx,xlo,time,dt,bc,level,grid_no) & bind(C, name="pc_derentropy") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use meth_params_module, only: URHO, UEINT, UTEMP, UFS, UFX use amrex_constants_module @@ -690,7 +690,7 @@ subroutine pc_derenuctimescale(t,t_lo,t_hi,ncomp_t, & use amrex_constants_module, only: ZERO, ONE use meth_params_module, only: URHO, UEINT, UTEMP, UFS, UFX - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use prob_params_module, only: dim use eos_module @@ -762,7 +762,7 @@ subroutine pc_derspec(spec,s_lo,s_hi,nv, & bind(C, name="pc_derspec") use meth_params_module, only: URHO, UEINT, UTEMP, UFS, UFX - use network, only: nspecies + use fuego_chemistry, only: nspecies ! ! This routine derives the mass fractions of the species. ! @@ -798,7 +798,7 @@ subroutine pc_dermolefrac(spec,s_lo,s_hi,nv, & ! This routine derives the mole fractions of the species. ! use meth_params_module, only: URHO, UEINT, UTEMP, UFS, UFX - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use amrex_constants_module @@ -853,7 +853,7 @@ subroutine pc_derauxiliary(auxi,a_lo,a_hi,nv, & ! This routine derives the mole fractions of the species. ! use meth_params_module, only: URHO, UFX - use network, only: naux + use fuego_chemistry, only: naux use eos_module use amrex_constants_module diff --git a/Source/Src_nd/Diffusion_nd.f90 b/Source/Src_nd/Diffusion_nd.f90 index a17b771ab..798101bdc 100644 --- a/Source/Src_nd/Diffusion_nd.f90 +++ b/Source/Src_nd/Diffusion_nd.f90 @@ -418,7 +418,7 @@ subroutine pc_diffterm_aux(lo, hi,& D, Dlo, Dhi,& deltax, dir) bind(C, name = "pc_diffterm_aux") - use network, only : naux + use fuego_chemistry, only : naux use meth_params_module, only : NVAR, UFX, QVAR, QFX use amrex_constants_module use prob_params_module, only : physbc_lo, physbc_hi diff --git a/Source/Src_nd/PeleC_nd.F90 b/Source/Src_nd/PeleC_nd.F90 index 1d43560e7..5f33d1d94 100644 --- a/Source/Src_nd/PeleC_nd.F90 +++ b/Source/Src_nd/PeleC_nd.F90 @@ -1,6 +1,6 @@ subroutine pc_network_init() bind(C, name="pc_network_init") - use network, only: network_init + use fuego_chemistry, only: network_init implicit none call network_init() @@ -14,7 +14,7 @@ end subroutine pc_network_init subroutine pc_network_close() bind(C, name="pc_network_close") - use network, only: network_close + use fuego_chemistry, only: network_close implicit none call network_close() @@ -28,10 +28,10 @@ end subroutine pc_network_close subroutine pc_transport_init() bind(C, name="pc_transport_init") - use transport_module, only: transport_init + use transport_module, only: transport_init_F implicit none - call transport_init() + call transport_init_F() end subroutine pc_transport_init @@ -42,10 +42,10 @@ end subroutine pc_transport_init subroutine pc_transport_close() bind(C, name="pc_transport_close") - use transport_module, only: transport_close + use transport_module, only: transport_close_F implicit none - call transport_close() + call transport_close_F() end subroutine pc_transport_close @@ -75,7 +75,7 @@ end subroutine pc_extern_init ! ::: subroutine pc_les_init() bind(C, name = "pc_les_init") - use network, only : nspecies + use fuego_chemistry, only : nspecies use eos_module, only : eos_name implicit none @@ -151,7 +151,7 @@ end subroutine pc_reactor_close subroutine get_num_spec(nspecies_out) bind(C, name="get_num_spec") - use network, only : nspecies + use fuego_chemistry, only : nspecies implicit none @@ -167,7 +167,7 @@ end subroutine get_num_spec subroutine get_num_aux(naux_out) bind(C, name="get_num_aux") - use network, only : naux + use fuego_chemistry, only : naux implicit none @@ -184,7 +184,7 @@ end subroutine get_num_aux subroutine get_spec_names(spec_names_out,ispec,len) & bind(C, name="get_spec_names") - use network, only : spec_names + use fuego_chemistry, only : spec_names implicit none @@ -210,7 +210,7 @@ end subroutine get_spec_names subroutine get_aux_names(aux_names_out,iaux,len) & bind(C, name="get_aux_names") - use network, only : aux_names + use fuego_chemistry, only : aux_names implicit none @@ -427,9 +427,8 @@ subroutine set_method_params(dm,Density,Xmom,Eden,Eint,Temp, & bind(C, name="set_method_params") use meth_params_module - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_module, only : eos_init, eos_get_small_dens, eos_get_small_temp - use transport_module, only : transport_init use amrex_constants_module, only : ZERO, ONE implicit none diff --git a/Source/Src_nd/PeleC_util.F90 b/Source/Src_nd/PeleC_util.F90 index f393db8df..35a4192c7 100644 --- a/Source/Src_nd/PeleC_util.F90 +++ b/Source/Src_nd/PeleC_util.F90 @@ -122,7 +122,7 @@ subroutine reset_internal_e(lo,hi,u,u_lo,u_hi,verbose) & use eos_module use eos_type_module - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use meth_params_module, only : NVAR, URHO, UMX, UMY, UMZ, UEDEN, UEINT, UFS, UFX, & UTEMP, small_temp, allow_negative_energy, allow_small_energy, & dual_energy_eta2, dual_energy_update_E_from_e @@ -332,7 +332,7 @@ end subroutine reset_internal_e subroutine compute_temp(lo,hi,state,s_lo,s_hi) & bind(C, name="compute_temp") - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_type_module use eos_module use meth_params_module, only : NVAR, URHO, UEDEN, UEINT, UTEMP, & @@ -406,7 +406,7 @@ end subroutine compute_temp subroutine pc_check_initial_species(lo,hi,state,state_lo,state_hi) & bind(C, name="pc_check_initial_species") - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UFS use amrex_constants_module diff --git a/Source/Src_nd/React_nd.F90 b/Source/Src_nd/React_nd.F90 index 0b3c5e8a4..6e95d735b 100644 --- a/Source/Src_nd/React_nd.F90 +++ b/Source/Src_nd/React_nd.F90 @@ -22,7 +22,7 @@ subroutine pc_react_state(lo,hi, & use amrex_ebcellflag_module, only : is_covered_cell #endif - use network, only : nspecies + use fuego_chemistry, only : nspecies use meth_params_module, only : NVAR, URHO, UMX, UMZ, UEDEN, UEINT, UTEMP, & UFS #ifdef USE_SUNDIALS_PP @@ -164,9 +164,7 @@ subroutine pc_react_state_expl(lo,hi, & time,dt_react,do_update,& nsubsteps_min,nsubsteps_max,nsubsteps_guess,errtol) bind(C, name="pc_react_state_expl") - use network, only : nspecies - use chemistry_module , only : molecular_weight - use fuego_chemistry, only : CKWC,CKCVBS,CKUMS,CKYTCR + use fuego_chemistry, only : nspecies, molecular_weight, CKWC,CKCVBS,CKUMS,CKYTCR use meth_params_module, only : NVAR, URHO, UMX, UMZ, UEDEN, UEINT, UTEMP, UFS use amrex_fort_module, only : amrex_real use amrex_constants_module, only : HALF diff --git a/Source/Src_nd/advection_util_nd.F90 b/Source/Src_nd/advection_util_nd.F90 index eac9cc716..14b450d3d 100644 --- a/Source/Src_nd/advection_util_nd.F90 +++ b/Source/Src_nd/advection_util_nd.F90 @@ -202,7 +202,7 @@ end subroutine enforce_minimum_density subroutine reset_to_small_state(old_state, new_state, idx, lo, hi, verbose) use amrex_constants_module, only: ZERO - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use meth_params_module, only: NVAR, URHO, UMX, UMY, UMZ, UTEMP, UEINT, UEDEN, UFS, small_temp, small_dens, npassive, upass_map use eos_type_module use eos_module, only: eos_rt @@ -393,7 +393,7 @@ subroutine ctoprim(lo, hi, & qaux, qa_lo, qa_hi) bind(C, name = "ctoprim") use fundamental_constants_module, only: k_B, n_A - use network, only : nspecies, naux + use fuego_chemistry, only : nspecies, naux use eos_module, only : eos_re use eos_type_module use meth_params_module, only : NVAR, URHO, UMX, UMZ, UEDEN, UTEMP, & @@ -647,7 +647,7 @@ subroutine limit_hydro_fluxes_on_small_dens(u,u_lo,u_hi, & allow_small_energy, allow_negative_energy use prob_params_module, only: dim, coord_type, dg use amrex_mempool_module, only: bl_allocate, bl_deallocate - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_type_module use eos_module, only: eos_rt diff --git a/Source/Src_nd/bc_fill_nd.F90 b/Source/Src_nd/bc_fill_nd.F90 index 7454ffc33..deeb7fd68 100644 --- a/Source/Src_nd/bc_fill_nd.F90 +++ b/Source/Src_nd/bc_fill_nd.F90 @@ -172,7 +172,7 @@ subroutine bcnormal(x,u_int,u_ext,dir,sgn,time,bc_type,bc_params,bc_target) use eos_type_module use eos_module use meth_params_module, only : URHO, UMX, UMY, UMZ, UTEMP, UEDEN, UEINT, UFS - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use prob_params_module, only : Interior, Inflow, Outflow, SlipWall, NoSlipWall, & problo, probhi use amrex_constants_module, only: M_PI diff --git a/Source/Src_nd/mms_src_nd.F90 b/Source/Src_nd/mms_src_nd.F90 index 5f73a9ae6..ed16873af 100644 --- a/Source/Src_nd/mms_src_nd.F90 +++ b/Source/Src_nd/mms_src_nd.F90 @@ -18,7 +18,7 @@ subroutine pc_mms_src(lo,hi,& use meth_params_module, only : NVAR #ifdef USE_MASA - use network, only : nspecies + use fuego_chemistry, only : nspecies use amrex_constants_module, only: HALF use meth_params_module, only : URHO, UMX, UMY, UMZ, UEDEN, UEINT, UFS use prob_params_module, only: dim diff --git a/Source/Src_nd/timestep.F90 b/Source/Src_nd/timestep.F90 index 6a65a109b..9de192bfd 100644 --- a/Source/Src_nd/timestep.F90 +++ b/Source/Src_nd/timestep.F90 @@ -10,7 +10,7 @@ module timestep_module subroutine pc_estdt(lo,hi,u,u_lo,u_hi,dx,dt) bind(C, name="pc_estdt") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use meth_params_module, only: NVAR, URHO, UMX, UMY, UMZ, UEINT, UTEMP, UFS, UFX use prob_params_module, only: dim @@ -80,7 +80,7 @@ end subroutine pc_estdt subroutine pc_estdt_vel_diffusion(lo,hi,state,s_lo,s_hi,dx,dt) & bind(C, name="pc_estdt_vel_diffusion") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use eos_type_module use meth_params_module, only: NVAR, URHO, UTEMP, UFS @@ -124,7 +124,7 @@ subroutine pc_estdt_vel_diffusion(lo,hi,state,s_lo,s_hi,dx,dt) & coeff%eos_state(1:np)%T = state(lo(1):hi(1),j,k,UTEMP) coeff%eos_state(1:np)%rho = state(lo(1):hi(1),j,k,URHO) - call transport(which_trans, coeff) + call transport_F(which_trans, coeff) D(:) = coeff%mu(:) * rho_inv(:) @@ -153,7 +153,7 @@ end subroutine pc_estdt_vel_diffusion subroutine pc_estdt_temp_diffusion(lo,hi,state,s_lo,s_hi,dx,dt) & bind(C, name="pc_estdt_temp_diffusion") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use eos_type_module use meth_params_module, only: NVAR, URHO, UTEMP, UFS @@ -203,7 +203,7 @@ subroutine pc_estdt_temp_diffusion(lo,hi,state,s_lo,s_hi,dx,dt) & coeff%eos_state(i)%rho = state(lo(1)+i-1,j,k,URHO) ! Note: Assumes this is a good T! end do - call transport(which_trans, coeff) + call transport_F(which_trans, coeff) do i=1,np call eos_cv(coeff % eos_state(i)) @@ -236,7 +236,7 @@ end subroutine pc_estdt_temp_diffusion subroutine pc_estdt_enth_diffusion(lo,hi,state,s_lo,s_hi,dx,dt) & bind(C, name="pc_estdt_enth_diffusion") - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module use eos_type_module use meth_params_module, only: NVAR, URHO, UEINT, UTEMP, UFS, UFX, & @@ -288,7 +288,7 @@ subroutine pc_estdt_enth_diffusion(lo,hi,state,s_lo,s_hi,dx,dt) & ! we also need the conductivity if (coeff%eos_state(1)%rho > diffuse_cutoff_density) then - call transport(which_trans, coeff) + call transport_F(which_trans, coeff) cond = coeff % lam(1) else cond = ZERO @@ -336,7 +336,7 @@ subroutine pc_check_timestep(s_old, so_lo, so_hi, & use meth_params_module, only: NVAR, URHO, UTEMP, UEINT, UFS, UFX, UMX, UMZ, & cfl, do_hydro use prob_params_module, only: dim - use network, only: nspecies, naux + use fuego_chemistry, only: nspecies, naux use eos_module implicit none diff --git a/SourceCpp/Advance.cpp b/SourceCpp/Advance.cpp new file mode 100644 index 000000000..2062ead1f --- /dev/null +++ b/SourceCpp/Advance.cpp @@ -0,0 +1,681 @@ +#include + +#include "mechanism.h" + +#include "PeleC.H" +#include "IndexDefines.H" + +amrex::Real +PeleC::advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle) +{ + /** the main driver for a single level implementing the time advance. + + @param time the current simulation time + @param dt the timestep to advance (e.g., go from time to time + dt) + @param amr_iteration where we are in the current AMR subcycle. Each + level will take a number of steps to reach the + final time of the coarser level below it. This + counter starts at 1 + @param amr_ncycle the number of subcycles at this level + */ + + BL_PROFILE("PeleC::advance()"); + + int finest_level = parent->finestLevel(); + + if (level < finest_level && do_reflux) { + getFluxReg(level + 1).reset(); + + if (!amrex::DefaultGeometry().IsCartesian()) { + amrex::Abort("Flux registers not r-z compatible yet"); + getPresReg(level + 1).reset(); + } + } + + amrex::Real dt_new = dt; + if (do_mol) { + dt_new = do_mol_advance(time, dt, amr_iteration, amr_ncycle); + } else { + dt_new = do_sdc_advance(time, dt, amr_iteration, amr_ncycle); + } + + return dt_new; +} + +amrex::Real +PeleC::do_mol_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle) +{ + BL_PROFILE("PeleC::do_mol_advance()"); + + // Check that we are not asking to advance stuff we don't know to + // if (src_list.size() > 0) amrex::Abort("Have not integrated other sources + // into MOL advance yet"); + + for (int i = 0; i < num_state_type; ++i) { + bool skip = false; +#ifdef PELEC_USE_REACTIONS + skip = i == Reactions_Type && do_react; +#endif + if (!skip) { + state[i].allocOldData(); + state[i].swapTimeLevels(dt); + } + } + + if (do_mol_load_balance || do_react_load_balance) { + get_new_data(Work_Estimate_Type).setVal(0.0); + } + + amrex::MultiFab& U_old = get_old_data(State_Type); + amrex::MultiFab& U_new = get_new_data(State_Type); + amrex::MultiFab S(grids, dmap, NVAR, 0, amrex::MFInfo(), Factory()); + + amrex::MultiFab S_old, S_new; + if (mol_iters > 1) { + S_old.define(grids, dmap, NVAR, 0, amrex::MFInfo(), Factory()); + S_new.define(grids, dmap, NVAR, 0, amrex::MFInfo(), Factory()); + } + +#ifdef PELEC_USE_REACTIONS + amrex::MultiFab& I_R = get_new_data(Reactions_Type); +#endif + +#ifdef PELEC_USE_EB + set_body_state(U_old); + set_body_state(U_new); +#endif + + // Compute S^{n} = MOLRhs(U^{n}) + if (verbose) { + amrex::Print() << "... Computing MOL source term at t^{n} " << std::endl; + } + FillPatch(*this, Sborder, nGrowTr, time, State_Type, 0, NVAR); + amrex::Real flux_factor = 0; + getMOLSrcTerm(Sborder, S, time, dt, flux_factor); + + // Build other (neither spray nor diffusion) sources at t_old + for (int n = 0; n < src_list.size(); ++n) { + if ( + src_list[n] != diff_src +#ifdef AMREX_PARTICLES + && src_list[n] != spray_src +#endif + ) { + construct_old_source( + src_list[n], time, dt, amr_iteration, amr_ncycle, 0, 0); + amrex::MultiFab::Saxpy(S, 1.0, *old_sources[src_list[n]], 0, 0, NVAR, 0); + } + } + + if (mol_iters > 1) + amrex::MultiFab::Copy(S_old, S, 0, 0, NVAR, 0); + + // U^* = U^n + dt*S^n + amrex::MultiFab::LinComb(U_new, 1.0, Sborder, 0, dt, S, 0, 0, NVAR, 0); + +#ifdef PELEC_USE_REACTIONS + // U^{n+1,*} = U^n + dt*S^n + dt*I_R) + if (do_react == 1) { + amrex::MultiFab::Saxpy(U_new, dt, I_R, 0, FirstSpec, NUM_SPECIES, 0); + amrex::MultiFab::Saxpy(U_new, dt, I_R, NUM_SPECIES, Eden, 1, 0); + } +#endif + + computeTemp(U_new, 0); + + // Compute S^{n+1} = MOLRhs(U^{n+1,*}) + if (verbose) { + amrex::Print() << "... Computing MOL source term at t^{n+1} " << std::endl; + } + FillPatch(*this, Sborder, nGrowTr, time + dt, State_Type, 0, NVAR); + flux_factor = mol_iters > 1 ? 0 : 1; + getMOLSrcTerm(Sborder, S, time, dt, flux_factor); + + // Build other (neither spray nor diffusion) sources at t_new + for (int n = 0; n < src_list.size(); ++n) { + if ( + src_list[n] != diff_src +#ifdef AMREX_PARTICLES + && src_list[n] != spray_src +#endif + ) { + construct_new_source( + src_list[n], time + dt, dt, amr_iteration, amr_ncycle, 0, 0); + amrex::MultiFab::Saxpy(S, 1.0, *new_sources[src_list[n]], 0, 0, NVAR, 0); + } + } + + // U^{n+1.**} = 0.5*(U^n + U^{n+1,*}) + 0.5*dt*S^{n+1} = U^n + 0.5*dt*S^n + + // 0.5*dt*S^{n+1} + 0.5*dt*I_R + amrex::MultiFab::LinComb(U_new, 0.5, Sborder, 0, 0.5, U_old, 0, 0, NVAR, 0); + amrex::MultiFab::Saxpy( + U_new, 0.5 * dt, S, 0, 0, NVAR, + 0); // NOTE: If I_R=0, we are done and U_new is the final new-time state + +#ifdef PELEC_USE_REACTIONS + if (do_react == 1) { + amrex::MultiFab::Saxpy(U_new, 0.5 * dt, I_R, 0, FirstSpec, NUM_SPECIES, 0); + amrex::MultiFab::Saxpy(U_new, 0.5 * dt, I_R, NUM_SPECIES, Eden, 1, 0); + + // F_{AD} = (1/dt)(U^{n+1,**} - U^n) - I_R + amrex::MultiFab::LinComb( + S, 1.0 / dt, U_new, 0, -1.0 / dt, U_old, 0, 0, NVAR, 0); + amrex::MultiFab::Subtract(S, I_R, 0, FirstSpec, NUM_SPECIES, 0); + amrex::MultiFab::Subtract(S, I_R, NUM_SPECIES, Eden, 1, 0); + + // Compute I_R and U^{n+1} = U^n + dt*(F_{AD} + I_R) + react_state(time, dt); + } +#endif + + computeTemp(U_new, 0); + +#ifdef PELEC_USE_REACTIONS + if (do_react == 1) { + for (int mol_iter = 2; mol_iter <= mol_iters; ++mol_iter) { + if (verbose) { + amrex::Print() << "... Re-computing MOL source term at t^{n+1} (iter = " + << mol_iter << " of " << mol_iters << ")" << std::endl; + } + FillPatch(*this, Sborder, nGrowTr, time + dt, State_Type, 0, NVAR); + flux_factor = mol_iter == mol_iters ? 1 : 0; + getMOLSrcTerm(Sborder, S_new, time, dt, flux_factor); + + // F_{AD} = (1/2)(S_old + S_new) + amrex::MultiFab::LinComb(S, 0.5, S_old, 0, 0.5, S_new, 0, 0, NVAR, 0); + + // Compute I_R and U^{n+1} = U^n + dt*(F_{AD} + I_R) + react_state(time, dt); + + computeTemp(U_new, 0); + } + } +#endif + +#ifdef PELEC_USE_EB + set_body_state(U_new); +#endif + + return dt; +} + +#ifdef AMREX_PARTICLES +void +PeleC::setSprayGridInfo( + const int amr_iteration, + const int amr_ncycle, + int& ghost_width, + int& where_width, + int& spray_n_grow, + int& tmp_src_width) +{ + // TODO: Re-evaluate these numbers and include the particle cfl into the + // calcuation A particle in cell (i) can affect cell values in (i-1) to (i+1) + int stencil_deposition_width = 1; + + // A particle in cell (i) may need information from cell values in (i-1) to + // (i+1) + // to update its position (typically via interpolation of the acceleration + // from the grid) + int stencil_interpolation_width = 1; + + // A particle that starts in cell (i + amr_ncycle) can reach + // cell (i) in amr_ncycle number of steps .. after "amr_iteration" steps + // the particle has to be within (i + amr_ncycle+1-amr_iteration) to reach + // cell (i) in the remaining (amr_ncycle-amr_iteration) steps + + // *** ghost_width *** is used + // *) to set how many cells are used to hold ghost particles i.e copies of + // particles + // that live on (level-1) can affect the grid over all of the amr_ncycle + // steps. We define ghost cells at the coarser level to cover all + // iterations so we can't reduce this number as amr_iteration increases. + + ghost_width = 0; + if (parent->subCycle() && parent->maxLevel() > 0) + ghost_width += amr_ncycle + stencil_deposition_width; + + // *** where_width *** is used + // *) to set how many cells the Where call in moveKickDrift tests = max of + // {ghost_width + (1-amr_iteration) - 1}: + // the minus 1 arises because this occurs *after* the move} and + // {amr_iteration}: + // the number of cells out that a cell initially in the fine grid may + // have moved and we don't want to just lose it (we will redistribute it + // when we're done} + + where_width = + amrex::max(ghost_width + (1 - amr_iteration) - 1, amr_iteration); + + // *** spray_n_grow *** is used + // *) to determine how many ghost cells we need to fill in the MultiFab from + // which the particle interpolates its acceleration + + spray_n_grow = ghost_width + stencil_interpolation_width; + + // *** tmp_src_width *** is used + // *) to set how many ghost cells are needed in the tmp_src_ptr MultiFab + // that we + // define inside moveKickDrift and moveKick. This needs to be big + // enough to hold the contribution from all the particles within + // ghost_width so that we don't have to test on whether the particles are + // trying to write out of bounds + + tmp_src_width = ghost_width + stencil_deposition_width; +} +#endif + +amrex::Real +PeleC::do_sdc_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle) +{ + BL_PROFILE("PeleC::do_sdc_advance()"); + + amrex::Real dt_new = dt; + + /** This routine will advance the old state data (called S_old here) + to the new time, for a single level. The new data is called + S_new here. The update includes reactions (if we are not doing + SDC), hydro, and the source terms. + */ + + initialize_sdc_advance(time, dt, amr_iteration, amr_ncycle); + + if (do_react_load_balance) { + get_new_data(Work_Estimate_Type).setVal(0.0); + } + + for (int sdc_iter = 0; sdc_iter < sdc_iters; ++sdc_iter) { + if (sdc_iters > 1) { + amrex::Print() << "SDC iteration " << sdc_iter + 1 << " of " << sdc_iters + << ".\n"; + } + + dt_new = do_sdc_iteration( + time, dt, amr_iteration, amr_ncycle, sdc_iter, sdc_iters); + } + + finalize_sdc_advance(time, dt, amr_iteration, amr_ncycle); + + return dt_new; +} + +amrex::Real +PeleC::do_sdc_iteration( + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle) +{ + /** This routine will advance the old state data (called S_old here) + to the new time, for a single level. The new data is called + S_new here. The update includes hydro, and the source terms. + */ + + BL_PROFILE("PeleC::do_sdc_iteration()"); + + amrex::MultiFab& S_old = get_old_data(State_Type); + amrex::MultiFab& S_new = get_new_data(State_Type); + + initialize_sdc_iteration( + time, dt, amr_iteration, amr_ncycle, sub_iteration, sub_ncycle); + + // Create Sborder if hydro or diffuse, with the appropriate number of grow + // cells + int nGrow_Sborder = 0; + bool fill_Sborder = false; + + if (do_hydro) { + fill_Sborder = true; + nGrow_Sborder = NUM_GROW + nGrowF; + } else if (do_diffuse) { + fill_Sborder = true; + nGrow_Sborder = NUM_GROW; + } +#ifdef AMREX_PARTICLES + bool use_ghost_parts = false; // Use ghost particles + bool use_virt_parts = false; // Use virtual particles + if (parent->finestLevel() > 0 && level < parent->finestLevel()) { + use_ghost_parts = true; + use_virt_parts = true; + } + int ghost_width = 0; + int where_width = 0; + int spray_n_grow = 0; + int tmp_src_width = 0; + + if (do_spray_particles) { + setSprayGridInfo( + amr_iteration, amr_ncycle, ghost_width, where_width, spray_n_grow, + tmp_src_width); + fill_Sborder = true; + nGrow_Sborder = std::max(nGrow_Sborder, spray_n_grow); + } + if (fill_Sborder && Sborder.nGrow() < nGrow_Sborder) { + Print() << "PeleC::do_sdc_iteration thinks Sborder needs " << nGrow_Sborder + << " grow cells, but Sborder defined with only " << Sborder.nGrow() + << std::endl; + Abort(); + } + +#endif + + if (fill_Sborder) { + FillPatch(*this, Sborder, nGrow_Sborder, time, State_Type, 0, NVAR); + } + + if (sub_iteration == 0) { +#ifdef AMREX_PARTICLES + // + // Compute drag terms from particles at old positions, move particles to new + // positions + // based on old-time velocity field + // + // TODO: Maybe move this mess into construct_old_source? + if (do_spray_particles) { + amrex::Gpu::LaunchSafeGuard lsg(true); + // + // Setup ghost particles for use in finer levels. Note that ghost + // particles that will be used by this level have already been created, + // the particles being set here are only used by finer levels. + // + int finest_level = parent->finestLevel(); + + // + // Setup the virtual particles that particles on finer levels + // + + if (level < finest_level && use_virt_parts) + setupVirtualParticles(); + + // + // Check if I need to insert new particles + // + amrex::Real cur_time = state[State_Type].curTime(); + int nstep = parent->levelSteps(0); + + bool injectParts = false; + bool insertParts = false; + if (level == finest_level) + injectParts = theSprayPC()->injectParticles(cur_time, nstep, level); + if (level == finest_level) + insertParts = theSprayPC()->insertParticles(cur_time, nstep, level); + + // + // Only redistribute if we injected or inserted particles + // + if (injectParts || insertParts) { + // TODO: Determine the number of ghost cells needed here + int nGrow = 1; + particleRedistribute(level, nGrow, 0); + } + + // + // Make a copy of the particles on this level into ghost particles + // for the finer level + // + if (use_ghost_parts) + setupGhostParticles(ghost_width); + + // Advance the particle velocities to the half-time and the positions to + // the new time + if (particle_verbose) + amrex::Print() + << "moveKickDrift ... updating particle positions and velocity\n"; + + // We will make a temporary copy of the source term array inside + // moveKickDrift + // and we are only going to use the spray force out to one ghost cell + // so we need only define spray_force_old with one ghost cell + + AMREX_ASSERT(old_sources[spray_src]->nGrow() >= 1); + old_sources[spray_src]->setVal(0.); + + // Do the valid particles themselves + theSprayPC()->moveKickDrift( + Sborder, *old_sources[spray_src], level, dt, cur_time, + false, // not virtual particles + false, // not ghost particles + tmp_src_width, + true, // Move the particles + where_width); + + // Only need the coarsest virtual particles here. + if (level < finest_level && use_virt_parts) + theVirtPC()->moveKickDrift( + Sborder, *old_sources[spray_src], level, dt, cur_time, true, false, + tmp_src_width, true, where_width); + + // Miiiight need all Ghosts + if (use_ghost_parts && theGhostPC() != 0) + theGhostPC()->moveKickDrift( + Sborder, *old_sources[spray_src], level, dt, cur_time, false, true, + tmp_src_width, true, where_width); + } +#endif + + // Build other (neither spray nor diffusion) sources at t_old + for (int n = 0; n < src_list.size(); ++n) { + if ( + src_list[n] != diff_src +#ifdef AMREX_PARTICLES + && src_list[n] != spray_src +#endif + ) { + construct_old_source( + src_list[n], time, dt, amr_iteration, amr_ncycle, sub_iteration, + sub_ncycle); + } + } + + // Get diffusion source separate from other sources, since it requires grow + // cells, and we + // may want to reuse what we fill-patched for hydro + if (do_diffuse) { + if (verbose) { + amrex::Print() << "... Computing diffusion terms at t^(n)" << std::endl; + } + AMREX_ASSERT( + !do_mol); // Currently this combo only managed through MOL integrator + amrex::Real flux_factor_old = 0.5; + + getMOLSrcTerm(Sborder, *old_sources[diff_src], time, dt, flux_factor_old); + } + + // Initialize sources at t_new by copying from t_old + for (int n = 0; n < src_list.size(); ++n) { + amrex::MultiFab::Copy( + *new_sources[src_list[n]], *old_sources[src_list[n]], 0, 0, NVAR, 0); + } + } + + // Construct hydro source, will use old and current iterate of new sources. + if (do_hydro) { + construct_hydro_source( + Sborder, time, dt, amr_iteration, amr_ncycle, sub_iteration, sub_ncycle); + } + + // Construct S_new with current iterate of all sources + construct_Snew(S_new, S_old, dt); + + int ng_src = 0; + computeTemp(S_new, ng_src); + + // Now update t_new sources (diffusion separate because it requires a fill + // patch) + if (do_diffuse) { + if (verbose) { + amrex::Print() << "... Computing diffusion terms at t^(n+1," + << sub_iteration + 1 << ")" << std::endl; + } + FillPatch(*this, Sborder, nGrowTr, time + dt, State_Type, 0, NVAR); + amrex::Real flux_factor_new = sub_iteration == sub_ncycle - 1 ? 0.5 : 0; + getMOLSrcTerm(Sborder, *new_sources[diff_src], time, dt, flux_factor_new); + } + + // Build other (neither spray nor diffusion) sources at t_new + for (int n = 0; n < src_list.size(); ++n) { + if ( + src_list[n] != diff_src +#ifdef AMREX_PARTICLES + && src_list[n] != spray_src +#endif + ) { + construct_new_source( + src_list[n], time + dt, dt, amr_iteration, amr_ncycle, sub_iteration, + sub_ncycle); + } + } + +#ifdef AMREX_PARTICLES + if (do_spray_particles) { + // Advance the particle velocities by dt/2 to the new time. + if (particle_verbose) + amrex::Print() << "moveKick ... updating velocity only\n"; + + if (!do_diffuse) { // Else, this was already done above. No need to redo + FillPatch(*this, Sborder, nGrow_Sborder, time + dt, State_Type, 0, NVAR); + } + + new_sources[spray_src]->setVal(0.); + + theSprayPC()->moveKick( + Sborder, *new_sources[spray_src], level, dt, time + dt, false, false, + tmp_src_width); + + // Virtual particles will be recreated, so we need not kick them. + // TODO: Is this true with SDC iterations?? + + // Ghost particles need to be kicked except during the final iteration. + if (amr_iteration != amr_ncycle && use_ghost_parts && theGhostPC() != 0) + theGhostPC()->moveKick( + Sborder, *new_sources[spray_src], level, dt, time + dt, false, true, + tmp_src_width); + } +#endif + +#ifdef PELEC_USE_REACTIONS + // Update I_R and rebuild S_new accordingly + if (do_react == 1) { + react_state(time, dt); + } else { + construct_Snew(S_new, S_old, dt); + get_new_data(Reactions_Type).setVal(0); + } +#else + construct_Snew(S_new, S_old, dt); +#endif + + computeTemp(S_new, ng_src); + + finalize_sdc_iteration( + time, dt, amr_iteration, amr_ncycle, sub_iteration, sub_ncycle); + + return dt; +} + +void +PeleC::construct_Snew( + amrex::MultiFab& S_new, const amrex::MultiFab& S_old, amrex::Real dt) +{ + int ng = 0; + + amrex::MultiFab::Copy(S_new, S_old, 0, 0, NVAR, ng); + for (int n = 0; n < src_list.size(); ++n) { + amrex::MultiFab::Saxpy( + S_new, 0.5 * dt, *new_sources[src_list[n]], 0, 0, NVAR, ng); + amrex::MultiFab::Saxpy( + S_new, 0.5 * dt, *old_sources[src_list[n]], 0, 0, NVAR, ng); + } + if (do_hydro) { + amrex::MultiFab::Saxpy(S_new, dt, hydro_source, 0, 0, NVAR, ng); + } + +#ifdef PELEC_USE_REACTIONS + if (do_react == 1) { + amrex::MultiFab& I_R = get_new_data(Reactions_Type); + amrex::MultiFab::Saxpy(S_new, dt, I_R, 0, FirstSpec, NUM_SPECIES, 0); + amrex::MultiFab::Saxpy(S_new, dt, I_R, NUM_SPECIES, Eden, 1, 0); + } +#endif +} + +void +PeleC::initialize_sdc_iteration( + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sdc_iteration, + int sdc_ncycle) +{ + BL_PROFILE("PeleC::initialize_sdc_iteration()"); + + // Reset the change from density resets + frac_change = 1; + + // Reset the grid loss tracking. + if (track_grid_losses) { + for (int i = 0; i < n_lost; i++) { + material_lost_through_boundary_temp[i] = 0.0; + } + } +} + +void +PeleC::finalize_sdc_iteration( + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sdc_iteration, + int sdc_ncycle) +{ + BL_PROFILE("PeleC::finalize_sdc_iteration()"); +} + +void +PeleC::initialize_sdc_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle) +{ + BL_PROFILE("PeleC::initialize_sdc_advance()"); + + for (int i = 0; i < num_state_type; ++i) { + state[i].allocOldData(); + state[i].swapTimeLevels(dt); + } + +#ifdef PELEC_USE_REACTIONS + if (do_react == 1) { + // Initialize I_R with value from previous time step + amrex::MultiFab::Copy( + get_new_data(Reactions_Type), get_old_data(Reactions_Type), 0, 0, + get_new_data(Reactions_Type).nComp(), + get_new_data(Reactions_Type).nGrow()); + } +#endif +} + +void +PeleC::finalize_sdc_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle) +{ + BL_PROFILE("PeleC::finalize_sdc_advance()"); + + // Add the material lost in this timestep to the cumulative losses. + if (track_grid_losses) { + amrex::ParallelDescriptor::ReduceRealSum( + material_lost_through_boundary_temp, n_lost); + + for (int i = 0; i < n_lost; i++) { + material_lost_through_boundary_cumulative[i] += + material_lost_through_boundary_temp[i]; + } + } + + amrex::Real cur_time = state[State_Type].curTime(); +} diff --git a/SourceCpp/BCfill.cpp b/SourceCpp/BCfill.cpp new file mode 100644 index 000000000..6f29c4ba2 --- /dev/null +++ b/SourceCpp/BCfill.cpp @@ -0,0 +1,180 @@ +#include +#include +#include + +#include "PeleC.H" +#include "prob.H" + +struct PCHypFillExtDir +{ + AMREX_GPU_DEVICE + void operator()( + const amrex::IntVect& iv, + amrex::Array4 const& dest, + const int dcomp, + const int numcomp, + amrex::GeometryData const& geom, + const amrex::Real time, + const amrex::BCRec* bcr, + const int bcomp, + const int orig_comp) const + { + const int* domlo = geom.Domain().loVect(); + const int* domhi = geom.Domain().hiVect(); + const amrex::Real* prob_lo = geom.ProbLo(); + const amrex::Real* prob_hi = geom.ProbHi(); + const amrex::Real* dx = geom.CellSize(); + const amrex::Real x[AMREX_SPACEDIM] = {AMREX_D_DECL( + prob_lo[0] + (iv[0] + 0.5) * dx[0], prob_lo[1] + (iv[1] + 0.5) * dx[1], + prob_lo[2] + (iv[2] + 0.5) * dx[2])}; + + const int* bc = bcr->data(); + + amrex::Real s_int[NVAR] = {0.0}; + amrex::Real s_ext[NVAR] = {0.0}; + + // xlo and xhi + int idir = 0; + if ((bc[idir] == amrex::BCType::ext_dir) and (iv[idir] < domlo[idir])) { + amrex::IntVect loc(AMREX_D_DECL(domlo[idir], iv[1], iv[2])); + for (int n = 0; n < NVAR; n++) { + s_int[n] = dest(loc, n); + } + bcnormal(x, s_int, s_ext, idir, +1, time, geom); + for (int n = 0; n < NVAR; n++) { + dest(iv, n) = s_ext[n]; + } + } else if ( + (bc[idir + AMREX_SPACEDIM] == amrex::BCType::ext_dir) and + (iv[idir] > domhi[idir])) { + amrex::IntVect loc(AMREX_D_DECL(domhi[idir], iv[1], iv[2])); + for (int n = 0; n < NVAR; n++) { + s_int[n] = dest(loc, n); + } + bcnormal(x, s_int, s_ext, idir, -1, time, geom); + for (int n = 0; n < NVAR; n++) { + dest(iv, n) = s_ext[n]; + } + } +#if AMREX_SPACEDIM > 1 + // ylo and yhi + idir = 1; + if ((bc[idir] == amrex::BCType::ext_dir) and (iv[idir] < domlo[idir])) { + amrex::IntVect loc(AMREX_D_DECL(iv[0], domlo[idir], iv[2])); + for (int n = 0; n < NVAR; n++) { + s_int[n] = dest(loc, n); + } + bcnormal(x, s_int, s_ext, idir, +1, time, geom); + for (int n = 0; n < NVAR; n++) { + dest(iv, n) = s_ext[n]; + } + } else if ( + (bc[idir + AMREX_SPACEDIM] == amrex::BCType::ext_dir) and + (iv[idir] > domhi[idir])) { + amrex::IntVect loc(AMREX_D_DECL(iv[0], domhi[idir], iv[2])); + for (int n = 0; n < NVAR; n++) { + s_int[n] = dest(loc, n); + } + bcnormal(x, s_int, s_ext, idir, -1, time, geom); + for (int n = 0; n < NVAR; n++) { + dest(iv, n) = s_ext[n]; + } + } +#if AMREX_SPACEDIM == 3 + // zlo and zhi + idir = 2; + if ((bc[idir] == amrex::BCType::ext_dir) and (iv[idir] < domlo[idir])) { + for (int n = 0; n < NVAR; n++) { + s_int[n] = dest(iv[0], iv[1], domlo[idir], n); + } + bcnormal(x, s_int, s_ext, idir, +1, time, geom); + for (int n = 0; n < NVAR; n++) { + dest(iv, n) = s_ext[n]; + } + } else if ( + (bc[idir + AMREX_SPACEDIM] == amrex::BCType::ext_dir) and + (iv[idir] > domhi[idir])) { + for (int n = 0; n < NVAR; n++) { + s_int[n] = dest(iv[0], iv[1], domhi[idir], n); + } + bcnormal(x, s_int, s_ext, idir, -1, time, geom); + for (int n = 0; n < NVAR; n++) { + dest(iv, n) = s_ext[n]; + } + } +#endif +#endif + } +}; + +struct PCReactFillExtDir +{ + AMREX_GPU_DEVICE + void operator()( + const amrex::IntVect& iv, + amrex::Array4 const& dest, + const int dcomp, + const int numcomp, + amrex::GeometryData const& geom, + const amrex::Real time, + const amrex::BCRec* bcr, + const int bcomp, + const int orig_comp) const + { + } +}; + +namespace { +static PCHypFillExtDir pc_hyp_fill_ext_dir; +static PCReactFillExtDir pc_react_fill_ext_dir; +static amrex::GpuBndryFuncFab + hyp_bndry_func(pc_hyp_fill_ext_dir); +static amrex::GpuBndryFuncFab + react_bndry_func(pc_react_fill_ext_dir); +} // namespace + +void +pc_bcfill_hyp( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp) +{ + hyp_bndry_func(bx, data, dcomp, numcomp, geom, time, bcr, bcomp, scomp); +} + +void +pc_reactfill_hyp( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp) +{ +#ifdef PELEC_USE_REACTIONS + react_bndry_func(bx, data, dcomp, numcomp, geom, time, bcr, bcomp, scomp); +#endif +} + +void +pc_nullfill( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp) +{ +} diff --git a/SourceCpp/Bld.cpp b/SourceCpp/Bld.cpp new file mode 100644 index 000000000..e91a4b52b --- /dev/null +++ b/SourceCpp/Bld.cpp @@ -0,0 +1,55 @@ +#include + +#include "PeleC.H" + +class PeleCBld : public amrex::LevelBld +{ + virtual void variableSetUp(); + virtual void variableCleanUp(); + virtual amrex::AmrLevel* operator()(); + virtual amrex::AmrLevel* operator()( + amrex::Amr& papa, + int lev, + const amrex::Geometry& level_geom, + const amrex::BoxArray& ba, + const amrex::DistributionMapping& dm, + amrex::Real time); +}; + +PeleCBld PeleC_bld; + +amrex::LevelBld* +getLevelBld() +{ + return &PeleC_bld; +} + +void +PeleCBld::variableSetUp() +{ + PeleC::variableSetUp(); +} + +void +PeleCBld::variableCleanUp() +{ + PeleC::variableCleanUp(); +} + +amrex::AmrLevel* +PeleCBld::operator()() +{ + return new PeleC; +} + +amrex::AmrLevel* +PeleCBld::operator()( + amrex::Amr& papa, + int lev, + const amrex::Geometry& level_geom, + const amrex::BoxArray& ba, + const amrex::DistributionMapping& dm, + amrex::Real time) +{ + return new PeleC(papa, lev, level_geom, ba, dm, time); +} diff --git a/SourceCpp/Constants.H b/SourceCpp/Constants.H new file mode 100644 index 000000000..013c2f132 --- /dev/null +++ b/SourceCpp/Constants.H @@ -0,0 +1,14 @@ +#ifndef _CONSTANTS_H_ +#define _CONSTANTS_H_ + +#define SMALL 1.0e-50 +#define SMALL_NUM 1.0e-8 +#define SMALL_DENS 1.0e-16 +#define SMALL_PRES 1.0e-50 +#define SMALLU 1.0e-16 +#define N_A 6.02214076e23 +#define K_B 1.380649e-16 +#define Outflow 2 +#define PI 3.14159265358979323846264338327950288 + +#endif diff --git a/SourceCpp/Derive.H b/SourceCpp/Derive.H new file mode 100644 index 000000000..8fc30c2d6 --- /dev/null +++ b/SourceCpp/Derive.H @@ -0,0 +1,285 @@ +#ifndef _Derive_H_ +#define _Derive_H_ + +#include +#include +#ifdef PELEC_USE_MASA +#include +using namespace MASA; +#endif + +void pc_dervelx( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dervely( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dervelz( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dermagvel( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dermagmom( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derkineng( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dereint1( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dereint2( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derlogden( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derspec( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dermagvort( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derdivu( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derenstrophy( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dernull( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dermolefrac( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dersoundspeed( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derentropy( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dermachnumber( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derpres( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dertemp( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derspectrac( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level, + const int idx); +void pc_derradialvel( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); + +#ifdef PELEC_USE_MASA +void pc_derrhommserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derummserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_dervmmserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derwmmserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +void pc_derpmmserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int ncomp, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real time, + const int* bcrec, + const int level); +#endif +#endif diff --git a/SourceCpp/Derive.cpp b/SourceCpp/Derive.cpp new file mode 100644 index 000000000..ab2272265 --- /dev/null +++ b/SourceCpp/Derive.cpp @@ -0,0 +1,775 @@ +#include "mechanism.h" + +#include "EOS.H" +#include "Derive.H" +#include "IndexDefines.H" + +void +pc_dervelx( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto velx = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + velx(i, j, k) = dat(i, j, k, UMX) / dat(i, j, k, URHO); + }); +} + +void +pc_dervely( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto vely = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + vely(i, j, k) = dat(i, j, k, UMY) / dat(i, j, k, URHO); + }); +} + +void +pc_dervelz( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto velz = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + velz(i, j, k) = dat(i, j, k, UMZ) / dat(i, j, k, URHO); + }); +} + +void +pc_dermagvel( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto magvel = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real datinv = 1.0 / dat(i, j, k, URHO); + const amrex::Real dat1 = (dat(i, j, k, UMX) * datinv); + const amrex::Real dat2 = (dat(i, j, k, UMY) * datinv); + const amrex::Real dat3 = (dat(i, j, k, UMZ) * datinv); + magvel(i, j, k) = sqrt((dat1 * dat1) + (dat2 * dat2) + (dat3 * dat3)); + }); +} + +void +pc_dermagmom( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto magmom = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + magmom(i, j, k) = sqrt( + dat(i, j, k, UMX) * dat(i, j, k, UMX) + + dat(i, j, k, UMY) * dat(i, j, k, UMY) + + dat(i, j, k, UMZ) * dat(i, j, k, UMZ)); + }); +} + +void +pc_derkineng( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto kineng = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real datxsq = dat(i, j, k, UMX) * dat(i, j, k, UMX); + const amrex::Real datysq = dat(i, j, k, UMY) * dat(i, j, k, UMY); + const amrex::Real datzsq = dat(i, j, k, UMZ) * dat(i, j, k, UMZ); + kineng(i, j, k) = 0.5 / dat(i, j, k, URHO) * (datxsq + datysq + datzsq); + }); +} + +void +pc_dereint1( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + // Compute internal energy from (rho E). + auto const dat = datfab.array(); + auto e = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real rhoInv = 1.0 / dat(i, j, k, URHO); + const amrex::Real ux = dat(i, j, k, UMX) * rhoInv; + const amrex::Real uy = dat(i, j, k, UMY) * rhoInv; + const amrex::Real uz = dat(i, j, k, UMZ) * rhoInv; + e(i, j, k) = + dat(i, j, k, UEDEN) * rhoInv - 0.5 * (ux * ux + uy * uy + uz * uz); + }); +} + +void +pc_dereint2( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + // Compute internal energy from (rho e). + auto const dat = datfab.array(); + auto e = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + e(i, j, k) = dat(i, j, k, UEINT) / dat(i, j, k, URHO); + }); +} + +void +pc_derlogden( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto logden = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + logden(i, j, k) = log10(dat(i, j, k)); + }); +} + +void +pc_derspec( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto spec = derfab.array(); + + amrex::ParallelFor( + bx, NUM_SPECIES, [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + spec(i, j, k, n) = dat(i, j, k, UFS + n) / dat(i, j, k, URHO); + }); +} + +void +pc_dermagvort( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto vort = derfab.array(); + + const amrex::Box& gbx = amrex::grow(bx, 1); + + amrex::FArrayBox local(gbx, 3); + amrex::Elixir local_eli = local.elixir(); + auto larr = local.array(); + + // Convert momentum to velocity. + amrex::ParallelFor(gbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real rhoInv = 1.0 / dat(i, j, k, URHO); + larr(i, j, k, 0) = dat(i, j, k, UMX) * rhoInv; + larr(i, j, k, 1) = dat(i, j, k, UMY) * rhoInv; + larr(i, j, k, 2) = dat(i, j, k, UMZ) * rhoInv; + }); + + AMREX_D_TERM(const amrex::Real dx = geomdata.CellSize(0); + , const amrex::Real dy = geomdata.CellSize(1); + , const amrex::Real dz = geomdata.CellSize(2);); + + // Calculate vorticity. + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + AMREX_D_TERM(vort(i, j, k) = 0.; + , const amrex::Real vx = + 0.5 * (larr(i + 1, j, k, 1) - larr(i - 1, j, k, 1)) / dx; + const amrex::Real uy = + 0.5 * (larr(i, j + 1, k, 0) - larr(i, j - 1, k, 0)) / dy; + const amrex::Real v3 = vx - uy; + , const amrex::Real wx = + 0.5 * (larr(i + 1, j, k, 2) - larr(i - 1, j, k, 2)) / dx; + + const amrex::Real wy = + 0.5 * (larr(i, j + 1, k, 2) - larr(i, j - 1, k, 2)) / dy; + + const amrex::Real uz = + 0.5 * (larr(i, j, k + 1, 0) - larr(i, j, k - 1, 0)) / dz; + const amrex::Real vz = + 0.5 * (larr(i, j, k + 1, 1) - larr(i, j, k - 1, 1)) / dz; + + const amrex::Real v1 = wy - vz; + const amrex::Real v2 = uz - wx;); + vort(i, j, k) = sqrt(AMREX_D_TERM(0., +v3 * v3, +v1 * v1 + v2 * v2)); + }); +} + +void +pc_derdivu( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto divu = derfab.array(); + + AMREX_D_TERM(const amrex::Real dx = geomdata.CellSize(0); + , const amrex::Real dy = geomdata.CellSize(1); + , const amrex::Real dz = geomdata.CellSize(2);); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + AMREX_D_TERM( + const amrex::Real uhi = dat(i + 1, j, k, UMX) / dat(i + 1, j, k, URHO); + const amrex::Real ulo = dat(i - 1, j, k, UMX) / dat(i - 1, j, k, URHO); + , const amrex::Real vhi = dat(i, j + 1, k, UMY) / dat(i, j + 1, k, URHO); + const amrex::Real vlo = dat(i, j - 1, k, UMY) / dat(i, j - 1, k, URHO); + , const amrex::Real whi = dat(i, j, k + 1, UMZ) / dat(i, j, k + 1, URHO); + const amrex::Real wlo = dat(i, j, k - 1, UMZ) / dat(i, j, k - 1, URHO);); + divu(i, j, k) = + 0.5 * + (AMREX_D_TERM((uhi - ulo) / dx, +(vhi - vlo) / dy, +(whi - wlo) / dz)); + }); +} + +void +pc_derenstrophy( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + // This routine will derive enstrophy = 1/2 rho (x_vorticity^2 + + // y_vorticity^2 + z_vorticity^2) + auto const dat = datfab.array(); + auto enstrophy = derfab.array(); + + const amrex::Box& gbx = amrex::grow(bx, 1); + + amrex::FArrayBox local(gbx, 3); + amrex::Elixir local_eli = local.elixir(); + auto larr = local.array(); + + // Convert momentum to velocity. + amrex::ParallelFor(gbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real rhoInv = 1.0 / dat(i, j, k, URHO); + larr(i, j, k, 0) = dat(i, j, k, UMX) * rhoInv; + larr(i, j, k, 1) = dat(i, j, k, UMY) * rhoInv; + larr(i, j, k, 2) = dat(i, j, k, UMZ) * rhoInv; + }); + + AMREX_D_TERM(const amrex::Real dx = geomdata.CellSize(0); + , const amrex::Real dy = geomdata.CellSize(1); + , const amrex::Real dz = geomdata.CellSize(2);); + + // Calculate enstrophy. + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + AMREX_D_TERM(enstrophy(i, j, k) = 0.; + , const amrex::Real vx = + 0.5 * (larr(i + 1, j, k, 1) - larr(i - 1, j, k, 1)) / dx; + const amrex::Real uy = + 0.5 * (larr(i, j + 1, k, 0) - larr(i, j - 1, k, 0)) / dy; + const amrex::Real v3 = vx - uy; + , const amrex::Real wx = + 0.5 * (larr(i + 1, j, k, 2) - larr(i - 1, j, k, 2)) / dx; + + const amrex::Real wy = + 0.5 * (larr(i, j + 1, k, 2) - larr(i, j - 1, k, 2)) / dy; + + const amrex::Real uz = + 0.5 * (larr(i, j, k + 1, 0) - larr(i, j, k - 1, 0)) / dz; + const amrex::Real vz = + 0.5 * (larr(i, j, k + 1, 1) - larr(i, j, k - 1, 1)) / dz; + + const amrex::Real v1 = wy - vz; + const amrex::Real v2 = uz - wx;); + enstrophy(i, j, k) = 0.5 * dat(i, j, k, URHO) * + (AMREX_D_TERM(0., +v3 * v3, +v1 * v1 + v2 * v2)); + }); +} + +void +pc_dernull( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + // This routine is used by particle_count. Yes it does nothing. +} + +void +pc_dermolefrac( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + // Derive the mole fractions of the species + auto const dat = datfab.array(); + auto spec = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real mass[NUM_SPECIES], mole[NUM_SPECIES]; + const amrex::Real rhoInv = 1.0 / dat(i, j, k, URHO); + + for (int n = 0; n < NUM_SPECIES; n++) + mass[n] = dat(i, j, k, UFS + n) * rhoInv; + EOS::Y2X(mass, mole); + for (int n = 0; n < NUM_SPECIES; n++) + spec(i, j, k, UFS + n) = mole[n]; + }); +} + +void +pc_dersoundspeed( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto cfab = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real rho = dat(i, j, k, URHO); + const amrex::Real rhoInv = 1.0 / rho; + const amrex::Real T = dat(i, j, k, UTEMP); + amrex::Real massfrac[NUM_SPECIES], c; + for (int n = 0; n < NUM_SPECIES; ++n) + massfrac[n] = dat(i, j, k, UFS + n) * rhoInv; + EOS::RTY2Cs(rho, T, massfrac, c); + cfab(i, j, k) = c; + }); +} + +void +pc_derentropy( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto sfab = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real s; + EOS::S(s); + sfab(i, j, k) = s; + }); +} + +void +pc_dermachnumber( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto mach = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real rho = dat(i, j, k, URHO); + const amrex::Real rhoInv = 1.0 / rho; + const amrex::Real T = dat(i, j, k, UTEMP); + amrex::Real massfrac[NUM_SPECIES], c; + for (int n = 0; n < NUM_SPECIES; ++n) + massfrac[n] = dat(i, j, k, UFS + n) * rhoInv; + EOS::RTY2Cs(rho, T, massfrac, c); + const amrex::Real datxsq = dat(i, j, k, UMX) * dat(i, j, k, UMX); + const amrex::Real datysq = dat(i, j, k, UMY) * dat(i, j, k, UMY); + const amrex::Real datzsq = dat(i, j, k, UMZ) * dat(i, j, k, UMZ); + mach(i, j, k) = sqrt(datxsq + datysq + datzsq) / dat(i, j, k, URHO) / c; + }); +} + +void +pc_derpres( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto pfab = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real rho = dat(i, j, k, URHO); + const amrex::Real rhoInv = 1.0 / rho; + amrex::Real T = dat(i, j, k, UTEMP); + amrex::Real e = dat(i, j, k, UEINT) * rhoInv; + amrex::Real p, massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; ++n) + massfrac[n] = dat(i, j, k, UFS + n) * rhoInv; + EOS::RTY2P(rho, T, massfrac, p); + pfab(i, j, k) = p; + }); +} + +void +pc_dertemp( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/) +{ + auto const dat = datfab.array(); + auto tfab = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tfab(i, j, k) = dat(i, j, k, UTEMP); + }); +} + +void +pc_derspectrac( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& /*geomdata*/, + amrex::Real /*time*/, + const int* /*bcrec*/, + const int /*level*/, + const int idx) +{ + auto const dat = datfab.array(); + auto spectrac = derfab.array(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + spectrac(i, j, k) = dat(i, j, k, UFS + idx) / dat(i, j, k, URHO); + }); +} + +void +pc_derradialvel( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto rvel = derfab.array(); + + const amrex::GpuArray prob_lo = + geomdata.ProbLoArray(); + const amrex::GpuArray prob_hi = + geomdata.ProbHiArray(); + const amrex::GpuArray dx = + geomdata.CellSizeArray(); + const amrex::Real centerx = 0.5 * (prob_lo[0] + prob_hi[0]); + const amrex::Real centery = 0.5 * (prob_lo[1] + prob_hi[1]); + const amrex::Real centerz = 0.5 * (prob_lo[2] + prob_hi[2]); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0] - centerx; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1] - centery; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2] - centerz; + const amrex::Real r = sqrt(x * x + y * y + z * z); + rvel(i, j, k) = + (dat(i, j, k, UMX) * x + dat(i, j, k, UMY) * y + dat(i, j, k, UMZ) * z) / + (dat(i, j, k, URHO) * r); + }); +} + +#ifdef PELEC_USE_MASA +void +pc_derrhommserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto rhommserror = derfab.array(); + + const amrex::GpuArray prob_lo = + geomdata.ProbLoArray(); + const amrex::GpuArray prob_hi = + geomdata.ProbHiArray(); + const amrex::GpuArray dx = + geomdata.CellSizeArray(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + const amrex::Real rho = masa_eval_3d_exact_rho(x, y, z); + rhommserror(i, j, k) = dat(i, j, k, URHO) - rho; + }); +} + +void +pc_derummserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto ummserror = derfab.array(); + + const amrex::GpuArray prob_lo = + geomdata.ProbLoArray(); + const amrex::GpuArray prob_hi = + geomdata.ProbHiArray(); + const amrex::GpuArray dx = + geomdata.CellSizeArray(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + const amrex::Real u = masa_eval_3d_exact_u(x, y, z); + ummserror(i, j, k) = dat(i, j, k, UMX) / dat(i, j, k, URHO) - u; + }); +} + +void +pc_dervmmserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto vmmserror = derfab.array(); + + const amrex::GpuArray prob_lo = + geomdata.ProbLoArray(); + const amrex::GpuArray prob_hi = + geomdata.ProbHiArray(); + const amrex::GpuArray dx = + geomdata.CellSizeArray(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + const amrex::Real v = masa_eval_3d_exact_v(x, y, z); + vmmserror(i, j, k) = dat(i, j, k, UMY) / dat(i, j, k, URHO) - v; + }); +} + +void +pc_derwmmserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto wmmserror = derfab.array(); + + const amrex::GpuArray prob_lo = + geomdata.ProbLoArray(); + const amrex::GpuArray prob_hi = + geomdata.ProbHiArray(); + const amrex::GpuArray dx = + geomdata.CellSizeArray(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + const amrex::Real w = masa_eval_3d_exact_w(x, y, z); + wmmserror(i, j, k) = dat(i, j, k, UMZ) / dat(i, j, k, URHO) - w; + }); +} + +void +pc_derpmmserror( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) +{ + auto const dat = datfab.array(); + auto pmmserror = derfab.array(); + + const amrex::GpuArray prob_lo = + geomdata.ProbLoArray(); + const amrex::GpuArray prob_hi = + geomdata.ProbHiArray(); + const amrex::GpuArray dx = + geomdata.CellSizeArray(); + + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + const amrex::Real rho = dat(i, j, k, URHO); + const amrex::Real rhoinv = 1.0 / rho; + amrex::Real eint = dat(i, j, k, UEINT) * rhoinv; + amrex::Real T = dat(i, j, k, UTEMP); + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + for (int n = 0; n < NUM_SPECIES; n++) { + massfrac[n] = dat(i, j, k, UFS + n) * rhoinv; + } + + amrex::Real pdat; + EOS::RYET2P(rho, massfrac, eint, T, pdat); + const amrex::Real p = masa_eval_3d_exact_p(x, y, z); + pmmserror(i, j, k) = pdat - p; + }); +} +#endif diff --git a/SourceCpp/Diffterm.H b/SourceCpp/Diffterm.H new file mode 100644 index 000000000..08caa47fe --- /dev/null +++ b/SourceCpp/Diffterm.H @@ -0,0 +1,198 @@ +#ifndef _DIFFTERM_H_ +#define _DIFFTERM_H_ + +#include +#ifdef PELEC_USE_EB +#include +#endif + +#include "IndexDefines.H" +#include "EBStencilTypes.H" +#include "EOS.H" +#include "Utilities.H" +#include "GradUtil.H" +#include "Diffusion.H" + +/*This header file contains functions and declarations for diffterm in 3D for + PeleC GPU. As per the convention of AMReX, inlined device functions are + defined here. Where as non-inline host functions are declared here. */ + +/*The original Diffterm function passes too many arguments, which contribute to + kernel launch overhead. In order to combat this, we split some of the + computation up into separate Device functions which will then be launched by a + CPU function called pc_diffterm. pc_diffusion_flux calculates the + diffusion flux per diction. */ + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_diffusion_flux( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const amrex::Real coef[], + const amrex::Array4& td, + const amrex::Array4& a, + const amrex::Array4& flx, + const amrex::Real delta, + const int dir) +{ + const int bdim[3] = {dir == 0, dir == 1, dir == 2}; + const int im = i - bdim[0]; + const int jm = j - bdim[1]; + const int km = k - bdim[2]; + const amrex::Real dxinv = 1.0 / delta; + amrex::Real taux = 0.0, tauy = 0.0, tauz = 0.0; + if (dir == 0) { + AMREX_D_TERM( + const amrex::Real dudx = dxinv * (q(i, j, k, QU) - q(im, jm, km, QU)); + , const amrex::Real dvdx = dxinv * (q(i, j, k, QV) - q(im, jm, km, QV)); + const amrex::Real dudy = td(i, j, k, 0); + const amrex::Real dvdy = td(i, j, k, 1); + , const amrex::Real dwdx = dxinv * (q(i, j, k, QW) - q(im, jm, km, QW)); + // const amrex::Real dwdy = td(i, j, k, 2); + const amrex::Real dudz = td(i, j, k, 3); + // const amrex::Real dvdz = td(i, j, k, 4); + const amrex::Real dwdz = td(i, j, k, 5);); + const amrex::Real divu = AMREX_D_TERM(dudx, +dvdy, +dwdz); + + taux = + coef[dComp_mu] * (2.0 * dudx - 2.0 / 3.0 * divu) + coef[dComp_xi] * divu; + AMREX_D_TERM(, tauy = coef[dComp_mu] * (dudy + dvdx); + , tauz = coef[dComp_mu] * (dudz + dwdx);); + } else if (dir == 1) { + const amrex::Real dudx = td(i, j, k, 0); + const amrex::Real dvdx = td(i, j, k, 1); + const amrex::Real dudy = dxinv * (q(i, j, k, QU) - q(im, jm, km, QU)); + const amrex::Real dvdy = dxinv * (q(i, j, k, QV) - q(im, jm, km, QV)); +#if AMREX_SPACEDIM == 3 + const amrex::Real dwdy = dxinv * (q(i, j, k, QW) - q(im, jm, km, QW)); + // const amrex::Real dwdx = td(i, j, k, 2); + // const amrex::Real dudz = td(i, j, k, 3); + const amrex::Real dvdz = td(i, j, k, 4); + const amrex::Real dwdz = td(i, j, k, 5); + tauz = coef[dComp_mu] * (dwdy + dvdz); +#endif + const amrex::Real divu = AMREX_D_TERM(dudx, +dvdy, +dwdz); + + taux = coef[dComp_mu] * (dudy + dvdx); + tauy = + coef[dComp_mu] * (2.0 * dvdy - 2.0 / 3.0 * divu) + coef[dComp_xi] * divu; + } else if (dir == 2) { + const amrex::Real dudx = td(i, j, k, 0); + // const amrex::Real dvdx = td(i, j, k, 1); + const amrex::Real dwdx = td(i, j, k, 2); + // const amrex::Real dudy = td(i, j, k, 3); + const amrex::Real dvdy = td(i, j, k, 4); + const amrex::Real dwdy = td(i, j, k, 5); + const amrex::Real dudz = dxinv * (q(i, j, k, QU) - q(im, jm, km, QU)); + const amrex::Real dvdz = dxinv * (q(i, j, k, QV) - q(im, jm, km, QV)); + const amrex::Real dwdz = dxinv * (q(i, j, k, QW) - q(im, jm, km, QW)); + const amrex::Real divu = dudx + dvdy + dwdz; + + taux = coef[dComp_mu] * (dudz + dwdx); + tauy = coef[dComp_mu] * (dvdz + dwdy); + tauz = + coef[dComp_mu] * (2.0 * dwdz - 2.0 / 3.0 * divu) + coef[dComp_xi] * divu; + } + flx(i, j, k, UMX) = -taux; + flx(i, j, k, UMY) = -tauy; + flx(i, j, k, UMZ) = -tauz; + flx(i, j, k, UEDEN) = + 0.5 * (AMREX_D_TERM( + -taux * (q(i, j, k, QU) + q(im, jm, km, QU)), + -tauy * (q(i, j, k, QV) + q(im, jm, km, QV)), + -tauz * (q(i, j, k, QW) + q(im, jm, km, QW)))) - + coef[dComp_lambda] * (dxinv * (q(i, j, k, QTEMP) - q(im, jm, km, QTEMP))); + const amrex::Real dlnp = dxinv * (q(i, j, k, QPRES) - q(im, jm, km, QPRES)) / + (0.5 * (q(i, j, k, QPRES) + q(im, jm, km, QPRES))); + + // Get massfrac, molefrac, enthalpy + amrex::Real mass1[NUM_SPECIES], mass2[NUM_SPECIES]; + amrex::Real mole1[NUM_SPECIES], mole2[NUM_SPECIES]; + amrex::Real hi1[NUM_SPECIES], hi2[NUM_SPECIES]; + for (int ns = 0; ns < NUM_SPECIES; ++ns) { + mass1[ns] = q(i, j, k, ns + QFS); + } + EOS::Y2X(mass1, mole1); + amrex::Real T = q(i, j, k, QTEMP); + EOS::T2Hi(T, hi1); + for (int ns = 0; ns < NUM_SPECIES; ++ns) { + mass2[ns] = q(im, jm, km, ns + QFS); + } + T = q(im, jm, km, QTEMP); + EOS::Y2X(mass2, mole2); + EOS::T2Hi(T, hi2); + + // Get species/enthalpy diffusion, compute correction vel + amrex::Real Vc = 0.0; + for (int ns = 0; ns < NUM_SPECIES; ++ns) { + const amrex::Real Xface = 0.5 * (mole1[ns] + mole2[ns]); + const amrex::Real Yface = 0.5 * (mass1[ns] + mass2[ns]); + const amrex::Real hface = 0.5 * (hi1[ns] + hi2[ns]); + const amrex::Real dXdx = dxinv * (mole1[ns] - mole2[ns]); + const amrex::Real Vd = + -coef[dComp_rhoD + ns] * (dXdx + (Xface - Yface) * dlnp); + flx(i, j, k, UFS + ns) = Vd; + Vc += Vd; + flx(i, j, k, UEDEN) += Vd * hface; + } + // Add correction velocity to fluxes + for (int ns = 0; ns < NUM_SPECIES; ++ns) { + const amrex::Real Yface = 0.5 * (mass1[ns] + mass2[ns]); + const amrex::Real hface = 0.5 * (hi1[ns] + hi2[ns]); + flx(i, j, k, UFS + ns) -= Yface * Vc; + flx(i, j, k, UEDEN) -= Yface * hface * Vc; + } + // Scale by area + AMREX_D_TERM(flx(i, j, k, UMX) *= a(i, j, k); + , flx(i, j, k, UMY) *= a(i, j, k); + , flx(i, j, k, UMZ) *= a(i, j, k);); + flx(i, j, k, UEDEN) *= a(i, j, k); + for (int ns = 0; ns < NUM_SPECIES; ++ns) + flx(i, j, k, UFS + ns) *= a(i, j, k); +} + +/* This function computes the flux divergence. */ +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +void +pc_flux_div( + const int i, + const int j, + const int k, + const int n, + AMREX_D_DECL( + const amrex::Array4& fx, + const amrex::Array4& fy, + const amrex::Array4& fz), + const amrex::Array4& V, + const amrex::Array4& D) +{ + D(i, j, k, n) = + -(AMREX_D_TERM( + fx(i + 1, j, k, n) - fx(i, j, k, n), +fy(i, j + 1, k, n) - fy(i, j, k, n), + +fz(i, j, k + 1, n) - fz(i, j, k, n))) / + V(i, j, k); +} + +void pc_compute_diffusion_flux( + const amrex::Box& box, + const amrex::Array4& q, + const amrex::Array4& coef, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + const amrex::GpuArray del, + const int do_harmonic +#ifdef PELEC_USE_EB + , + const amrex::FabType typ, + const int Ncut, + const EBBndryGeom* ebg, + const amrex::Array4& flags +#endif +); + +#endif diff --git a/SourceCpp/Diffterm.cpp b/SourceCpp/Diffterm.cpp new file mode 100644 index 000000000..c72732914 --- /dev/null +++ b/SourceCpp/Diffterm.cpp @@ -0,0 +1,80 @@ +#include "Diffterm.H" + +/* + This file contains the driver for generating the diffusion fluxes, which are + then used to generate the diffusion flux divergence. + pc_compute_diffusion_flux utilizes functions from the pc_diffterm_3D + header: pc_move_transcoefs_to_ec -> Moves Cell Centered Transport + Coefficients to Edge Centers pc_compute_tangential_vel_derivs -> Computes + the Tangential Velocity Derivatives pc_diffusion_flux -> Computes the + diffusion flux per direction with the coefficients and velocity derivatives. +*/ + +void +pc_compute_diffusion_flux( + const amrex::Box& box, + const amrex::Array4& q, + const amrex::Array4& coef, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + const amrex::GpuArray del, + const int do_harmonic +#ifdef PELEC_USE_EB + , + const amrex::FabType typ, + const int Ncut, + const EBBndryGeom* ebg, + const amrex::Array4& flags +#endif +) +{ + { + // Compute Extensive diffusion fluxes for X, Y, Z + BL_PROFILE("PeleC::diffusion_flux()"); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + const amrex::Real delta = del[dir]; + amrex::Real d1 = 0.0, d2 = 0.0; + amrex::Box ebox = amrex::surroundingNodes(box, dir); + if (dir == 0) { + AMREX_D_TERM(d2 = 1.;, d1 = del[1];, d2 = del[2];); + } else if (dir == 1) { + AMREX_D_TERM(d2 = 1.;, d1 = del[0];, d2 = del[2];); + } else if (dir == 2) { + d1 = del[0]; + d2 = del[1]; + } + + amrex::FArrayBox tander_ec(ebox, GradUtils::nCompTan); + amrex::Elixir tander_eli = tander_ec.elixir(); + auto const& tander = tander_ec.array(); + amrex::ParallelFor( + ebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_compute_tangential_vel_derivs(i, j, k, q, dir, d1, d2, tander); + }); + +#ifdef PELEC_USE_EB + // Reset tangential derivatives to avoid using covered (invalid) data + if (typ == amrex::FabType::singlevalued) { + if (Ncut > 0) { + BL_PROFILE("PeleC::pc_compute_tangential_vel_derivs_eb()"); + pc_compute_tangential_vel_derivs_eb( + ebox, dir, d1, d2, ebg, Ncut, q, flags, tander); + } + } else if (typ == amrex::FabType::multivalued) { + amrex::Abort( + "multi-valued eb tangential derivatives to be implemented"); + } +#endif + + amrex::ParallelFor( + ebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real c[dComp_lambda + 1]; + for (int n = 0; n < dComp_lambda + 1; n++) + pc_move_transcoefs_to_ec(i, j, k, n, coef, c, dir, do_harmonic); + pc_diffusion_flux( + i, j, k, q, c, tander, a[dir], flx[dir], delta, dir); + }); + } + } +} diff --git a/SourceCpp/Diffusion.H b/SourceCpp/Diffusion.H new file mode 100644 index 000000000..2b2719465 --- /dev/null +++ b/SourceCpp/Diffusion.H @@ -0,0 +1,182 @@ +#ifndef _DIFFUSION_H_ +#define _DIFFUSION_H_ + +#ifdef _OPENMP +#include +#endif + +#include + +#include "PeleC.H" +#include "Utilities.H" +#include "GradUtil.H" +#include "Diffterm.H" +#include "Transport.H" +#include "MOL.H" +#ifdef PELEC_USE_EB +#include "EB.H" +#endif + +/*This header file contains functions and declarations for the diffusion portion + of PeleC GPU. As per the convention of AMReX, inlined functions are defined + here. Where as non-inline functions are declared here. */ + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_diffextrap( + const int i, + const int j, + const int k, + const amrex::Array4& dif, + const int ng, + const int first, + const int last, + AMREX_D_DECL(const int lx, const int ly, const int lz), + AMREX_D_DECL(const int hx, const int hy, const int hz), + const amrex::Dim3 dlo, + const amrex::Dim3 dhi) +{ + for (int n = first; n < last; n++) { + //============================= Sides + //============================================= low x + if (dlo.x < lx) { + if (i == lx) + dif(i - 1, j, k, n) = dif(i, j, k, n); + } + // high x + if (dhi.x - 1 > hx) { + if (i == hx) + dif(i + 1, j, k, n) = dif(i, j, k, n); + } +#if AMREX_SPACEDIM > 1 + // low y + if (dlo.y < ly) { + if (j == ly) + dif(i, j - 1, k, n) = dif(i, j, k, n); + } + // high y + if (dhi.y - 1 > hy) { + if (j == hy) + dif(i, j + 1, k, n) = dif(i, j, k, n); + } +#if AMREX_SPACEDIM == 3 + // low z + if (dlo.z < lz) { + if (k == lz) + dif(i, j, k - 1, n) = dif(i, j, k, n); + } + // high z + if (dhi.z - 1 > hz) { + if (k == hz) + dif(i, j, k + 1, n) = dif(i, j, k, n); + } +#endif + //============================= Edges + //============================================== low x low y + if (dlo.x < lx && dlo.y < ly) { + if (i == lx && j == ly) + dif(i - 1, j - 1, k, n) = dif(i, j, k, n); + } + // low x high y + if (dlo.x < lx && dhi.y - 1 > hy) { + if (i == lx && j == hy) + dif(i - 1, j + 1, k, n) = dif(i, j, k, n); + } + // high x low y + if (dhi.x - 1 > hx && dlo.y < ly) { + if (i == hx && j == ly) + dif(i + 1, j - 1, k, n) = dif(i, j, k, n); + } + // high x high y + if (dhi.x - 1 > hx && dhi.y - 1 > hy) { + if (i == hx && j == hy) + dif(i + 1, j + 1, k, n) = dif(i, j, k, n); + } +#if AMREX_SPACEDIM == 3 + // low x low z + if (dlo.x < lx && dlo.z < lz) { + if (i == lx && k == lz) + dif(i - 1, j, k - 1, n) = dif(i, j, k, n); + } + // low x high z + if (dlo.x < lx && dhi.z - 1 > hz) { + if (i == lx && k == hz) + dif(i - 1, j, k + 1, n) = dif(i, j, k, n); + } + // high x low z + if (dhi.x - 1 > hx && dlo.z < lz) { + if (i == hx && k == lz) + dif(i + 1, j, k - 1, n) = dif(i, j, k, n); + } + // high x high z + if (dhi.x - 1 > hx && dhi.z - 1 > hz) { + if (i == hx && k == hz) + dif(i + 1, j, k + 1, n) = dif(i, j, k, n); + } + + // low y low z + if (dlo.y < ly && dlo.z < lz) { + if (j == ly && k == lz) + dif(i, j - 1, k - 1, n) = dif(i, j, k, n); + } + // low y hi z + if (dlo.y < ly && dhi.z - 1 > hz) { + if (j == ly && k == hz) + dif(i, j - 1, k + 1, n) = dif(i, j, k, n); + } + // hi y low z + if (dhi.y - 1 > hy && dlo.z < lz) { + if (j == hy && k == lz) + dif(i, j + 1, k - 1, n) = dif(i, j, k, n); + } + // low y low z + if (dhi.y - 1 > hy && dhi.z - 1 > hz) { + if (j == hy && k == hz) + dif(i, j + 1, k + 1, n) = dif(i, j, k, n); + } + //============================= Corners + //====================================== low x low y low z + if (dlo.x < lx && dlo.y < ly && dlo.z < lz) + if (i == lx && j == ly && k == lz) + dif(i - 1, j - 1, k - 1, n) = dif(i, j, k, n); + // hi x low y low z + if (dhi.x - 1 > hx && dlo.y < ly && dlo.z < lz) + if (i == hx && j == ly && k == lz) + dif(i + 1, j - 1, k - 1, n) = dif(i, j, k, n); + + // low x hi y low z + if (dlo.x < lx && dhi.y - 1 > ly && dlo.z < lz) + if (i == lx && j == hy && k == lz) + dif(i - 1, j + 1, k - 1, n) = dif(i, j, k, n); + + // low x low y hi z + if (dlo.x < lx && dlo.y < ly && dhi.z - 1 > hz) + if (i == lx && j == ly && k == hz) + dif(i - 1, j - 1, k + 1, n) = dif(i, j, k, n); + + // hi x hi y low z + if (dhi.x - 1 > hx && dhi.y - 1 > hy && dlo.z < lz) + if (i == hx && j == hy && k == lz) + dif(i + 1, j + 1, k - 1, n) = dif(i, j, k, n); + + // hi x low y hi z + if (dhi.x - 1 > hx && dlo.y < ly && dhi.z - 1 > lz) + if (i == hx && j == ly && k == hz) + dif(i + 1, j - 1, k + 1, n) = dif(i, j, k, n); + + // low x hi y hi z + if (dlo.x < lx && dhi.y - 1 > hy && dlo.z - 1 > hz) + if (i == lx && j == hy && k == hz) + dif(i - 1, j + 1, k + 1, n) = dif(i, j, k, n); + + // hi x hi y hi z + if (dhi.x - 1 > hx && dhi.y - 1 > hy && dlo.z - 1 > hz) + if (i == hx && j == hy && k == hz) + dif(i + 1, j + 1, k + 1, n) = dif(i, j, k, n); +#endif // AMREX_SPACEDIM == 3 +#endif // AMREX_SPACEDIM > 1 + } +} + +#endif diff --git a/SourceCpp/Diffusion.cpp b/SourceCpp/Diffusion.cpp new file mode 100644 index 000000000..6b1526e10 --- /dev/null +++ b/SourceCpp/Diffusion.cpp @@ -0,0 +1,640 @@ +#include "Diffusion.H" + +void +PeleC::getMOLSrcTerm( + const amrex::MultiFab& S, + amrex::MultiFab& MOLSrcTerm, + amrex::Real time, + amrex::Real dt, + amrex::Real flux_factor) +{ + BL_PROFILE("PeleC::getMOLSrcTerm()"); + BL_PROFILE_VAR_NS("diffusion_stuff", diff); + if ( + diffuse_temp == 0 && diffuse_enth == 0 && diffuse_spec == 0 && + diffuse_vel == 0 && do_hydro == 0) { + MOLSrcTerm.setVal(0, 0, NVAR, MOLSrcTerm.nGrow()); + return; + } + /** + Across all conserved state components, compute the method of lines rhs + = -Div(Flux). The input state, S, contained the conserved variables, and + is "fill patched" in the usual AMReX way, where values at Dirichlet + boundaries actually are assumed to live on the inflow face. + + 1. Convert S to Q, primitive variables (since the transport coefficients + typically depend on mass fractions and temperature). Q then will be + face-centered on Dirichlet faces. + + 2. Evaluate transport coefficients (these also will be face-centered, if Q + is). + + 3. Evaluate the diffusion operator over all components + + a. Evaluate tangential derivatives for strain terms, over all cells + b. Replace these with versions that avoid covered cells, if present + c. Evaluate face-centered diffusion fluxes, and their divergence + d. Zero fluxes and divergence after the fact if subset of components have + diffuse shut off (this allows that T be diffused alone, in order to support + simple tests) + + 4. Replace divergence of face-centered fluxes with hybrid divergence + operator, and weigthed redistribution. + + Extra notes: + + A. The face-based transport coefficients that are computed with face-based + Fill-Patched data at Dirichlet boundaries. + + B. Within the routine that computes diffusion fluxes, there is a need for + computing species enthalpies at cell faces. In the EGLib model, species + enthalpies are a function of temperature. At the moment, in diffterm, we + evaluate enthalpies at cell centers and then take the face values to be the + arithmetic average of cell values on either side. Similarly, mass + fractions at cell faces are needed to compute the barodiffusion and + correction velocity expressions. Arithmetic averages are used there as + well. Thus, these face values are thermodynamically inconsistent. Note + sure what are the consequences of that. + + The non-GPU version has EB, this does not at the moment. The Techniques for + EB will need to be carefully considered before implementation for + accelerators. + */ + const int nCompTr = dComp_lambda + 1; + const int do_harmonic = 1; // TODO: parmparse this + const amrex::GpuArray dx = geom.CellSizeArray(); + + amrex::Real dx1 = dx[0]; + for (int dir = 1; dir < AMREX_SPACEDIM; ++dir) { + dx1 *= dx[dir]; + } + const amrex::GpuArray dxD = { + AMREX_D_DECL(dx1, dx1, dx1)}; + + // Fetch some gpu arrays + prefetchToDevice(S); + prefetchToDevice(MOLSrcTerm); + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(S.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); + // amrex::Elixir flags_eli = flags.elixir(); + amrex::MultiFab* cost = nullptr; + + if (do_mol_load_balance) + cost = &(get_new_data(Work_Estimate_Type)); + + amrex::EBFluxRegister* fr_as_crse = nullptr; + if (do_reflux && level < parent->finestLevel()) { + fr_as_crse = &getFluxReg(level + 1); + } + + amrex::EBFluxRegister* fr_as_fine = nullptr; + if (do_reflux && level > 0) { + fr_as_fine = &getFluxReg(level); + } + + const bool as_crse = (fr_as_crse != nullptr); + const bool as_fine = (fr_as_fine != nullptr); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + { + // amrex::IArrayBox bcMask[AMREX_SPACEDIM]; + + int flag_nscbc_isAnyPerio = (geom.isAnyPeriodic()) ? 1 : 0; + int flag_nscbc_perio[AMREX_SPACEDIM]; // For 3D, we will know which corners + // have a periodicity + for (int dir = 0; dir < AMREX_SPACEDIM; ++dir) { + flag_nscbc_perio[dir] = + (amrex::DefaultGeometry().isPeriodic(dir)) ? 1 : 0; + } + const int* domain_lo = geom.Domain().loVect(); + const int* domain_hi = geom.Domain().hiVect(); + + for (amrex::MFIter mfi(MOLSrcTerm, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + const amrex::Box vbox = mfi.tilebox(); + int ng = S.nGrow(); + const amrex::Box gbox = amrex::grow(vbox, ng); + const amrex::Box cbox = amrex::grow(vbox, ng - 1); + auto const& MOLSrc = MOLSrcTerm.array(mfi); + +#ifdef PELEC_USE_EB + amrex::Real wt = amrex::ParallelDescriptor::second(); + const auto& flag_fab = flags[mfi]; + // amrex::Elixir flag_fab_eli = flag_fab.elixir(); + amrex::FabType typ = flag_fab.getType(vbox); + if (typ == amrex::FabType::covered) { + setV(vbox, NVAR, MOLSrc, 0); + if (do_mol_load_balance) { + wt = (amrex::ParallelDescriptor::second() - wt) / vbox.d_numPts(); + (*cost)[mfi].plus(wt, vbox); + } + continue; + } + + // TODO: Add check that this is nextra-1 + // (better: fix bounds on ebflux computation in hyperbolic routine + // to be a constant, and make sure this matches it) + const amrex::Box ebfluxbox = amrex::grow(vbox, 2); + + int local_i = mfi.LocalIndex(); + int Ncut = (!eb_in_domain) ? 0 : sv_eb_bndry_grad_stencil[local_i].size(); + SparseData eb_flux_thdlocal; + eb_flux_thdlocal.define(sv_eb_bndry_grad_stencil[local_i], NVAR); + auto* d_sv_eb_bndry_geom = + (Ncut > 0 ? sv_eb_bndry_geom[local_i].data() : 0); +#endif + + const int* lo = vbox.loVect(); + const int* hi = vbox.hiVect(); + + BL_PROFILE_VAR_START(diff); + int nqaux = NQAUX > 0 ? NQAUX : 1; + amrex::FArrayBox q(gbox, QVAR), qaux(gbox, nqaux), + coeff_cc(gbox, nCompTr); + amrex::Elixir qeli = q.elixir(); + amrex::Elixir qauxeli = qaux.elixir(); + amrex::Elixir coefeli = coeff_cc.elixir(); + auto const& s = S.array(mfi); + auto const& qar = q.array(); + auto const& qauxar = qaux.array(); + + // Get primitives, Q, including (Y, T, p, rho) from conserved state + // required for D term + { + BL_PROFILE("PeleC::ctoprim()"); + amrex::ParallelFor( + gbox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_ctoprim(i, j, k, s, qar, qauxar); + }); + } +// TODO deal with NSCBC +#if 0 + for (int dir = 0; dir < AMREX_SPACEDIM ; dir++) { + const amrex::Box& bxtmp = amrex::surroundingNodes(vbox,dir); + amrex::Box TestBox(bxtmp); + for(int d=0; d, AMREX_SPACEDIM> flx; + const amrex::GpuArray< + const amrex::Array4, AMREX_SPACEDIM> + a{AMREX_D_DECL( + area[0].array(mfi), area[1].array(mfi), area[2].array(mfi))}; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + flux_ec[dir].resize(eboxes[dir], NVAR); + flux_eli[dir] = flux_ec[dir].elixir(); + flx[dir] = flux_ec[dir].array(); + setV(eboxes[dir], NVAR, flx[dir], 0); + } + + amrex::FArrayBox Dfab(cbox, NVAR); + amrex::Elixir Dfab_eli = Dfab.elixir(); + auto const& Dterm = Dfab.array(); + setV(cbox, NVAR, Dterm, 0.0); + + pc_compute_diffusion_flux( + cbox, qar, coe_cc, flx, a, dx, do_harmonic +#ifdef PELEC_USE_EB + , + typ, Ncut, d_sv_eb_bndry_geom, flags.array(mfi) +#endif + ); + + // Compute flux divergence (1/Vol).Div(F.A) + { + BL_PROFILE("PeleC::pc_flux_div()"); + auto const& vol = volume.array(mfi); + amrex::ParallelFor( + cbox, NVAR, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + pc_flux_div( + i, j, k, n, AMREX_D_DECL(flx[0], flx[1], flx[2]), vol, Dterm); + }); + } + + // Shut off unwanted diffusion after the fact + // ick! Under normal conditions, you either have diffusion on all or + // none, so this shouldn't be done this way. However, the regression + // test for diffusion works by diffusing only temperature through + // this process. Ideally, we'd redo that test to diffuse a passive + // scalar instead.... + + if (diffuse_temp == 0 && diffuse_enth == 0) { + setC(cbox, Eden, Eint, Dterm, 0.0); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + setC(eboxes[dir], Eden, Eint, flx[dir], 0.0); + } + } + if (diffuse_spec == 0) { + setC(cbox, FirstSpec, FirstSpec + NUM_SPECIES, Dterm, 0.0); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + setC(eboxes[dir], FirstSpec, FirstSpec + NUM_SPECIES, flx[dir], 0.0); + } + } + + if (diffuse_vel == 0) { + setC(cbox, Xmom, Xmom + 3, Dterm, 0.0); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + setC(eboxes[dir], Xmom, Xmom + 3, flx[dir], 0.0); + } + } + +#ifdef PELEC_USE_EB + // Set extensive flux at embedded boundary, potentially + // non-zero only for heat flux on isothermal boundaries, + // and momentum fluxes at no-slip walls + const int nFlux = + sv_eb_flux.size() == 0 ? 0 : sv_eb_flux[local_i].numPts(); + if (typ == amrex::FabType::singlevalued && Ncut > 0) { + eb_flux_thdlocal.setVal(0); // Default to Neumann for all fields + + int Nvals = sv_eb_bcval[local_i].numPts(); + + AMREX_ASSERT(Nvals == Ncut); + AMREX_ASSERT(nFlux == Ncut); + + if (eb_isothermal && (diffuse_temp != 0 || diffuse_enth != 0)) { + amrex::Box box_to_apply = mfi.growntilebox(2); + { + BL_PROFILE("PeleC::pc_apply_eb_boundry_flux_stencil()"); + pc_apply_eb_boundry_flux_stencil( + box_to_apply, sv_eb_bndry_grad_stencil[local_i].data(), Ncut, qar, + QTEMP, coe_cc, dComp_lambda, sv_eb_bcval[local_i].dataPtr(QTEMP), + Nvals, eb_flux_thdlocal.dataPtr(Eden), nFlux, 1); + } + } + // Compute momentum transfer at no-slip EB wall + if (eb_noslip && diffuse_vel == 1) { + amrex::Box box_to_apply = mfi.growntilebox(2); + { + BL_PROFILE("PeleC::pc_apply_eb_boundry_visc_flux_stencil()"); + pc_apply_eb_boundry_visc_flux_stencil( + box_to_apply, sv_eb_bndry_grad_stencil[local_i].data(), Ncut, + d_sv_eb_bndry_geom, Ncut, qar, coe_cc, + sv_eb_bcval[local_i].dataPtr(QU), Nvals, + eb_flux_thdlocal.dataPtr(Xmom), nFlux); + } + } + } +#endif + + BL_PROFILE_VAR_STOP(diff); + + /* At this point flux_ec contains the diffusive fluxes in each direction + at face centers for the (potentially partially covered) grid-aligned + faces and eb_flux_thdlocal contains the flux for the cut faces. Before + computing hybrid divergence, comptue and add in the hydro fluxes. + Also, Dterm currently contains the divergence of the face-centered + diffusion fluxes. Increment this with the divergence of the + face-centered hyperbloic fluxes. + */ + if (do_hydro && do_mol) { + // amrex::FArrayBox flatn(cbox, 1); + // amrex::Elixir flatn_eli; + // flatn_eli = flatn.elixir(); + // flatn.setVal(1.0); // Set flattening to 1.0 + + // save off the diffusion source term and fluxes (don't want to filter + // these) + amrex::FArrayBox diffusion_flux[AMREX_SPACEDIM]; + amrex::Elixir diffusion_flux_eli[AMREX_SPACEDIM]; + amrex::GpuArray, AMREX_SPACEDIM> + diffusion_flux_arr; + if (use_explicit_filter) { + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + diffusion_flux[dir].resize(flux_ec[dir].box(), NVAR); + diffusion_flux_eli[dir] = diffusion_flux[dir].elixir(); + diffusion_flux_arr[dir] = diffusion_flux[dir].array(); + copy_array4( + flux_ec[dir].box(), flux_ec[dir].nComp(), flx[dir], + diffusion_flux_arr[dir]); + } + } + + { // Get face-centered hyperbolic fluxes and their divergences. + // Get hyp flux at EB wall + BL_PROFILE("PeleC::pc_hyp_mol_flux()"); +#ifdef PELEC_USE_EB + amrex::Real* d_eb_flux_thdlocal = + (nFlux > 0 ? eb_flux_thdlocal.dataPtr() : 0); +#endif + auto const& vol = volume.array(mfi); + pc_compute_hyp_mol_flux( + cbox, qar, qauxar, flx, a, dx, plm_iorder +#ifdef PELEC_USE_EB + , + eb_small_vfrac, vfrac.array(mfi), flags.array(mfi), + d_sv_eb_bndry_geom, Ncut, d_eb_flux_thdlocal, nFlux +#endif + ); + } + + // Filter hydro source term and fluxes here + if (use_explicit_filter) { + // Get the hydro term + amrex::FArrayBox hydro_flux[AMREX_SPACEDIM]; + amrex::Elixir hydro_flux_eli[AMREX_SPACEDIM]; + amrex::GpuArray, AMREX_SPACEDIM> + hydro_flux_arr; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + hydro_flux[dir].resize(flux_ec[dir].box(), NVAR); + hydro_flux_eli[dir] = hydro_flux[dir].elixir(); + hydro_flux_arr[dir] = hydro_flux[dir].array(); + lincomb_array4( + flux_ec[dir].box(), Density, NVAR, flx[dir], + diffusion_flux_arr[dir], 1.0, -1.0, hydro_flux_arr[dir]); + } + + // Filter + const amrex::Box fbox = amrex::grow(cbox, -nGrowF); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + const amrex::Box& bxtmp = amrex::surroundingNodes(fbox, dir); + amrex::FArrayBox filtered_hydro_flux; + filtered_hydro_flux.resize(bxtmp, NVAR); + amrex::Elixir filtered_hydro_flux_eli = + filtered_hydro_flux.elixir(); + les_filter.apply_filter( + bxtmp, hydro_flux[dir], filtered_hydro_flux, Density, NVAR); + + setV(bxtmp, hydro_flux[dir].nComp(), hydro_flux_arr[dir], 0.0); + copy_array4( + bxtmp, hydro_flux[dir].nComp(), filtered_hydro_flux.array(), + hydro_flux_arr[dir]); + } + + // Combine with diffusion + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + lincomb_array4( + diffusion_flux[dir].box(), Density, NVAR, diffusion_flux_arr[dir], + hydro_flux_arr[dir], 1.0, 1.0, flx[dir]); + } + } + + // Compute flux divergence (1/Vol).Div(F.A) + { + BL_PROFILE("PeleC::pc_flux_div()"); + auto const& vol = volume.array(mfi); + amrex::ParallelFor( + cbox, NVAR, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + pc_flux_div( + i, j, k, n, AMREX_D_DECL(flx[0], flx[1], flx[2]), vol, Dterm); + }); + } + } + +#ifdef AMREX_USE_GPU + auto device = amrex::RunOn::Gpu; +#else + auto device = amrex::RunOn::Cpu; +#endif + +#ifdef PELEC_USE_EB + amrex::Gpu::DeviceVector v_eb_tile_mask(Ncut, 0); + int* eb_tile_mask = v_eb_tile_mask.dataPtr(); + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int icut) { + if (ebfluxbox.contains(d_sv_eb_bndry_geom[icut].iv)) { + eb_tile_mask[icut] = 1; + } + }); + if (typ == amrex::FabType::singlevalued) { + sv_eb_flux[local_i].merge(eb_flux_thdlocal, 0, NVAR, v_eb_tile_mask); + } + + amrex::FArrayBox dm_as_fine, fab_drho_as_crse; + amrex::IArrayBox fab_rrflag_as_crse; + amrex::Elixir dm_as_fine_eli, fab_drho_as_crse_eli, + fab_rrflag_as_crse_eli; + if (typ == amrex::FabType::singlevalued) { + /* Interpolate fluxes from face centers to face centroids + * Note that hybrid divergence and redistribution algorithms require + * that we be able to compute the conservative divergence on 2 grow + * cells, so we need interpolated fluxes on 2 grow cells, and therefore + * we need face centered fluxes on 3. + */ + + { + BL_PROFILE("PeleC::pc_apply_face_stencil()"); + for (int dir = 0; dir < AMREX_SPACEDIM; ++dir) { + int Nsten = flux_interp_stencil[dir][local_i].size(); + int in_place = 1; + const amrex::Box valid_interped_flux_box = + amrex::Box(amrex::grow(vbox, 2)).surroundingNodes(dir); + pc_apply_face_stencil( + valid_interped_flux_box, stencil_volume_box, + flux_interp_stencil[dir][local_i].data(), Nsten, dir, NVAR, + flx[dir]); + } + } + + // Get "hybrid flux divergence" and redistribute + // + // This operation takes as input centroid-centered fluxes and a + // corresponding + // divergence on three grid cells. Actually, we assume that + // div=(1/VOL)Div(flux) (VOL = volume of the full cells), and that flux + // is EXTENSIVE, weighted with the full face areas. + // + // Upon return: + // div = kappa.(1/Vol) Div(FluxC.Area) Vol = kappa.VOL, + // Area=aperture.AREA, + // defined over the valid box + + // TODO: Rework this for r-z, if applicable + amrex::Real vol = 1; + for (int dir = 0; dir < AMREX_SPACEDIM; ++dir) + vol *= geom.CellSize()[dir]; + + // Set weighting for redistribution + auto const& W = vfrac.array(mfi); + int wComp = 0; + + dm_as_fine.resize(amrex::Box::TheUnitBox(), NVAR); + dm_as_fine_eli = dm_as_fine.elixir(); + fab_drho_as_crse.resize(amrex::Box::TheUnitBox(), NVAR); + fab_drho_as_crse_eli = fab_drho_as_crse.elixir(); + fab_rrflag_as_crse.resize(amrex::Box::TheUnitBox()); + fab_rrflag_as_crse_eli = fab_rrflag_as_crse.elixir(); + { + amrex::FArrayBox* p_drho_as_crse = + (fr_as_crse) ? fr_as_crse->getCrseData(mfi) : &fab_drho_as_crse; + const amrex::IArrayBox* p_rrflag_as_crse = + (fr_as_crse) ? fr_as_crse->getCrseFlag(mfi) : &fab_rrflag_as_crse; + + if (fr_as_fine) { + dm_as_fine.resize(amrex::grow(vbox, 1), NVAR); + dm_as_fine_eli = dm_as_fine.elixir(); + dm_as_fine.setVal(0.0); + } + BL_PROFILE("PeleC::pc_fix_div_and_redistribute()"); + pc_fix_div_and_redistribute( + vbox, vol, dt, NVAR, eb_small_vfrac, levmsk_notcovered, + d_sv_eb_bndry_geom, Ncut, flags.array(mfi), + AMREX_D_DECL(flx[0], flx[1], flx[2]), sv_eb_flux[local_i].dataPtr(), + nFlux, vfrac.array(mfi), W, as_crse, as_fine, level_mask.array(mfi), + (*p_rrflag_as_crse).array(), Dterm, (*p_drho_as_crse).array(), + dm_as_fine.array()); + } + + if (do_reflux && flux_factor != 0) { + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + flux_ec[dir].mult(flux_factor); + } + + if (fr_as_crse) { + fr_as_crse->CrseAdd( + mfi, {D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, dxD.data(), + dt, vfrac[mfi], + {D_DECL( + &((*areafrac[0])[mfi]), &((*areafrac[1])[mfi]), + &((*areafrac[2])[mfi]))}, + device); + if (AMREX_SPACEDIM <= 2) { + amrex::Print() + << "WARNING:Re redistribution crseadd for EB not tested " + "in 2D\n"; + } + } + + if (fr_as_fine) { + fr_as_fine->FineAdd( + mfi, {D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, dxD.data(), + dt, vfrac[mfi], + {D_DECL( + &((*areafrac[0])[mfi]), &((*areafrac[1])[mfi]), + &((*areafrac[2])[mfi]))}, + dm_as_fine, device); + + if (AMREX_SPACEDIM <= 2) { + amrex::Print() + << "WARNING:Re redistribution fineadd for EB not tested " + "in 2D\n"; + } + } + } + } else if (typ != amrex::FabType::regular) { // Single valued if loop + amrex::Abort("multi-valued eb boundary fluxes to be implemented"); + } +#endif + + copy_array4(vbox, NVAR, Dterm, MOLSrc); + +#ifdef PELEC_USE_EB + // do regular flux reg ops + if (do_reflux && flux_factor != 0 && typ == amrex::FabType::regular) +#else + if (do_reflux && flux_factor != 0) // no eb in problem +#endif + { + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + amrex::ParallelFor( + eboxes[dir], NVAR, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + flx[dir](i, j, k, n) *= flux_factor; + }); + } + + if (level < parent->finestLevel()) { + getFluxReg(level + 1).CrseAdd( + mfi, {AMREX_D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, + dxD.data(), dt, device); + } + + if (level > 0) { + getFluxReg(level).FineAdd( + mfi, {AMREX_D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, + dxD.data(), dt, device); + } + } + +#ifdef PELEC_USE_EB + if (do_mol_load_balance) { + amrex::Gpu::streamSynchronize(); + wt = (amrex::ParallelDescriptor::second() - wt) / vbox.d_numPts(); + (*cost)[mfi].plus(wt, vbox); + } +#endif + + // Extrapolate to GhostCells + if (MOLSrcTerm.nGrow() > 0) { + BL_PROFILE("PeleC::diffextrap()"); + const int mg = MOLSrcTerm.nGrow(); + const amrex::Box bx = mfi.tilebox(); + auto low = bx.loVect(); + auto high = bx.hiVect(); + auto dlo = Dterm.begin; + auto dhi = Dterm.end; + const int AMREX_D_DECL(lx = low[0], ly = low[1], lz = low[2]); + const int AMREX_D_DECL(hx = high[0], hy = high[1], hz = high[2]); + amrex::ParallelFor( + bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_diffextrap( + i, j, k, Dterm, mg, UMX, UMZ + 1, AMREX_D_DECL(lx, ly, lz), + AMREX_D_DECL(hx, hy, hz), dlo, dhi); + pc_diffextrap( + i, j, k, Dterm, mg, UFS, UFS + NUM_SPECIES, + AMREX_D_DECL(lx, ly, lz), AMREX_D_DECL(hx, hy, hz), dlo, dhi); + pc_diffextrap( + i, j, k, Dterm, mg, UEDEN, UEDEN + 1, AMREX_D_DECL(lx, ly, lz), + AMREX_D_DECL(hx, hy, hz), dlo, dhi); + }); + } + } // End of MFIter scope + } // End of OMP scope +} // End of Function diff --git a/SourceCpp/EB.H b/SourceCpp/EB.H new file mode 100644 index 000000000..ff7b0652a --- /dev/null +++ b/SourceCpp/EB.H @@ -0,0 +1,194 @@ +#ifndef _EB_H_ +#define _EB_H_ + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include "PeleC.H" +#include "IndexDefines.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +bool +is_inside( + const int i, + const int j, + const int k, + const amrex::Dim3 lo, + const amrex::Dim3 hi, + const int ng) +{ + return (i >= lo.x - ng and i <= hi.x + ng) and + (j >= lo.y - ng and j <= hi.y + ng) and + (k >= lo.z - ng and k <= hi.z + ng); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +bool +is_inside( + const int i, + const int j, + const int k, + const amrex::Dim3 lo, + const amrex::Dim3 hi) +{ + return is_inside(i, j, k, lo, hi, 0); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +int +argmax(const amrex::Real array[AMREX_SPACEDIM]) +{ + const amrex::Real max_num = + amrex::max(AMREX_D_DECL(array[0], array[1], array[2])); + for (int i = 0; i < AMREX_SPACEDIM; i++) { + if (max_num == array[i]) + return i; + } + return -1; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +idxsort(const amrex::Real array[AMREX_SPACEDIM], int idx[AMREX_SPACEDIM]) +{ + amrex::Real absarray[AMREX_SPACEDIM] = {0.0}; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + absarray[dir] = amrex::Math::abs(array[dir]); + } + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + const int i = argmax(absarray); + idx[dir] = i; + absarray[i] = -1.0; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_set_body_state( + const int i, + const int j, + const int k, + const int n, + const amrex::Array4& mask, + const amrex::GpuArray body_state, + const int covered_val, + const amrex::Array4& S) +{ + if (mask(i, j, k) == covered_val) { + S(i, j, k, n) = body_state[n]; + } +} + +void pc_fill_sv_ebg( + const amrex::Box, + const int, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&, + EBBndryGeom*); + +void pc_fill_bndry_grad_stencil( + const amrex::Box, + const amrex::Real, + const int, + const EBBndryGeom*, + const int, + EBBndrySten*); + +void pc_fill_flux_interp_stencil( + const amrex::Box, + const amrex::Box, + const int, + const amrex::Array4&, + const amrex::Array4&, + FaceSten*); + +void pc_apply_face_stencil( + const amrex::Box, + const amrex::Box, + const FaceSten*, + const int, + const int, + const int, + const amrex::Array4&); + +void pc_fix_div_and_redistribute( + const amrex::Box, + const amrex::Real, + const amrex::Real, + const int, + const amrex::Real, + const bool, + const EBBndryGeom*, + const int, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Real*, + const int, + const amrex::Array4&, + const amrex::Array4&, + const bool, + const bool, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&); + +void pc_apply_eb_boundry_visc_flux_stencil( + const amrex::Box, + const EBBndrySten*, + const int, + const EBBndryGeom*, + const int, + amrex::Array4 const&, + amrex::Array4 const&, + const amrex::Real*, + const int, + amrex::Real*, + const int); + +void pc_apply_eb_boundry_flux_stencil( + const amrex::Box, + const EBBndrySten*, + const int, + amrex::Array4 const&, + const int, + amrex::Array4 const&, + const int, + const amrex::Real*, + const int, + amrex::Real*, + const int, + const int); + +#endif diff --git a/SourceCpp/EB.cpp b/SourceCpp/EB.cpp new file mode 100644 index 000000000..afe83277f --- /dev/null +++ b/SourceCpp/EB.cpp @@ -0,0 +1,655 @@ +#include "EB.H" + +void +pc_fill_sv_ebg( + const amrex::Box bx, + const int Nebg, + const amrex::Array4& vfrac, + const amrex::Array4& bcent, + const amrex::Array4& apx, + const amrex::Array4& apy, + const amrex::Array4& apz, + EBBndryGeom* ebg) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + amrex::ParallelFor(Nebg, [=] AMREX_GPU_DEVICE(int L) { + const int i = ebg[L].iv[0]; + const int j = ebg[L].iv[1]; + const int k = ebg[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + const amrex::Real axm = apx(i, j, k); + const amrex::Real axp = apx(i + 1, j, k); + const amrex::Real aym = apy(i, j, k); + const amrex::Real ayp = apy(i, j + 1, k); + const amrex::Real azm = apz(i, j, k); + const amrex::Real azp = apz(i, j, k + 1); + const amrex::Real apnorm = std::sqrt( + (axm - axp) * (axm - axp) + (aym - ayp) * (aym - ayp) + + (azm - azp) * (azm - azp)); + if (apnorm == 0.0) { + amrex::Abort("pc_fill_sv_ebg: zero apnorm"); + } + const amrex::Real apnorminv = -1.0 / apnorm; + ebg[L].eb_normal[0] = (axm - axp) * apnorminv; // pointing to the wall + ebg[L].eb_normal[1] = (aym - ayp) * apnorminv; + ebg[L].eb_normal[2] = (azm - azp) * apnorminv; + ebg[L].eb_area = apnorm; + ebg[L].eb_centroid[0] = bcent(i, j, k, 0); + ebg[L].eb_centroid[1] = bcent(i, j, k, 1); + ebg[L].eb_centroid[2] = bcent(i, j, k, 2); + ebg[L].eb_vfrac = vfrac(i, j, k); + } + }); +} + +void +pc_fill_bndry_grad_stencil( + const amrex::Box bx, + const amrex::Real dx, + const int Nebg, + const EBBndryGeom* ebg, + const int Nsten, + EBBndrySten* grad_stencil) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + const amrex::Real area = std::pow(dx, AMREX_SPACEDIM - 1); + const amrex::Real fac = area / dx; + + amrex::ParallelFor(Nsten, [=] AMREX_GPU_DEVICE(int L) { + const int i = ebg[L].iv[0]; + const int j = ebg[L].iv[1]; + const int k = ebg[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + const amrex::Real n[AMREX_SPACEDIM] = {AMREX_D_DECL( + ebg[L].eb_normal[0], ebg[L].eb_normal[1], ebg[L].eb_normal[2])}; + + int c[AMREX_SPACEDIM] = {0}; + idxsort(n, c); + const int ivs[AMREX_SPACEDIM] = { + AMREX_D_DECL(ebg[L].iv[0], ebg[L].iv[1], ebg[L].iv[2])}; + const int s[AMREX_SPACEDIM] = {AMREX_D_DECL( + (int)amrex::Math::copysign(1.0, n[c[0]]), + (int)amrex::Math::copysign(1.0, n[c[1]]), + (int)amrex::Math::copysign(1.0, n[c[2]]))}; + amrex::Real b[AMREX_SPACEDIM] = {AMREX_D_DECL( + ebg[L].eb_centroid[c[0]] * s[0], ebg[L].eb_centroid[c[1]] * s[1], + ebg[L].eb_centroid[c[2]] * s[2])}; + + // From ivs, move to center of stencil, then move to lower-left of that + const int baseiv[AMREX_SPACEDIM] = {AMREX_D_DECL( + ivs[0] + (int)amrex::Math::copysign(1.0, n[0]) - 1, + ivs[1] + (int)amrex::Math::copysign(1.0, n[1]) - 1, + ivs[2] + (int)amrex::Math::copysign(1.0, n[2]) - 1)}; + + const amrex::Real x[2] = {1.0, 2.0}; + amrex::Real y[2] = { + b[1] + (x[0] - b[0]) * amrex::Math::abs(n[c[1]] / n[c[0]]), + b[1] + (x[1] - b[0]) * amrex::Math::abs(n[c[1]] / n[c[0]])}; + amrex::Real z[2] = { + b[2] + (x[0] - b[0]) * amrex::Math::abs(n[c[2]] / n[c[0]]), + b[2] + (x[1] - b[0]) * amrex::Math::abs(n[c[2]] / n[c[0]])}; + + int sh[AMREX_SPACEDIM] = {0}; + if (y[0] < 0.0 || y[1] < 0.0) { + sh[c[1]] = -s[1]; // Slide stencil down to avoid extrapolating, push + // up eb, shift down base later + b[1] += 1; + y[0] = b[1] + (x[0] - b[0]) * amrex::Math::abs(n[c[1]] / n[c[0]]); + y[1] = b[1] + (x[1] - b[0]) * amrex::Math::abs(n[c[1]] / n[c[0]]); + } + if (z[0] < 0.0 || z[1] < 0.0) { + sh[c[2]] = -s[2]; // Slide stencil down to avoid extrapolating, push + // up eb, shift down base later + b[2] += 1; + z[0] = b[2] + (x[0] - b[0]) * amrex::Math::abs(n[c[2]] / n[c[0]]); + z[1] = b[2] + (x[1] - b[0]) * amrex::Math::abs(n[c[2]] / n[c[0]]); + } + const amrex::Real d[2] = { + std::sqrt( + (x[0] - b[0]) * (x[0] - b[0]) + (y[0] - b[1]) * (y[0] - b[1]) + + (z[0] - b[2]) * (z[0] - b[2])), + std::sqrt( + (x[1] - b[0]) * (x[1] - b[0]) + (y[1] - b[1]) * (y[1] - b[1]) + + (z[1] - b[2]) * (z[1] - b[2]))}; + + amrex::Real sten[3][3][3] = {0.0}; + // The two intersections, that are d(1) and d(2) away from the eb + // centroid, are both in + // y-z planes, bounded in (0:2)x(0:2) in normalized coordinates + // For point m, we interpolate z=0,1,2 lines, to (y(m),0), (y(m),1) and + // (y(m),2), and + // then interpolate along y=y(m) to (y(m),z(m)) + amrex::Real cy[3], cz[3]; + for (int m = 0; m < 2; m++) { + cy[0] = 0.5 * (y[m] - 1.0) * (y[m] - 2.0); + cy[1] = -y[m] * (y[m] - 2.0); + cy[2] = 0.5 * y[m] * (y[m] - 1.0); + cz[0] = 0.5 * (z[m] - 1.0) * (z[m] - 2.0); + cz[1] = -z[m] * (z[m] - 2.0); + cz[2] = 0.5 * z[m] * (z[m] - 1.0); + + for (int kk = 0; kk < 3; kk++) { + for (int jj = 0; jj < 3; jj++) { + sten[m + 1][jj][kk] = cy[jj] * cz[kk]; + } + } + } + + for (int jj = 0; jj < 3; jj++) { + for (int kk = 0; kk < 3; kk++) { + sten[1][jj][kk] *= d[1] / (d[0] * (d[1] - d[0])); + sten[2][jj][kk] *= d[0] / (d[1] * (d[0] - d[1])); + } + } + const amrex::Real bcs = -(d[0] + d[1]) / (d[0] * d[1]); + + // Transform stencil into regular stencil structure + amrex::Real tsten[3][3][3] = {0.0}; + int iv[3] = {0}; + for (int ii = 0; ii < 3; ii++) { + for (int jj = 0; jj < 3; jj++) { + for (int kk = 0; kk < 3; kk++) { + iv[c[0]] = ii * s[0] + ivs[c[0]] - baseiv[c[0]]; + iv[c[1]] = jj * s[1] + ivs[c[1]] - baseiv[c[1]]; + iv[c[2]] = kk * s[2] + ivs[c[2]] - baseiv[c[2]]; + tsten[iv[0]][iv[1]][iv[2]] = sten[ii][jj][kk]; + } + } + } + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + grad_stencil[L].iv[dir] = ebg[L].iv[dir]; + // Shift base down, if required; + grad_stencil[L].iv_base[dir] = baseiv[dir] + sh[dir]; + for (int jj = 0; jj < 3; jj++) { + for (int kk = 0; kk < 3; kk++) { + grad_stencil[L].val[kk][jj][dir] = + fac * ebg[L].eb_area * tsten[dir][jj][kk]; + } + } + } + grad_stencil[L].bcval_sten = fac * ebg[L].eb_area * bcs; + } + }); +} + +void +pc_fill_flux_interp_stencil( + const amrex::Box bx, + const amrex::Box fbx, + const int Nsten, + const amrex::Array4& fc, + const amrex::Array4& fa, + FaceSten* sten) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + amrex::ParallelFor(Nsten, [=] AMREX_GPU_DEVICE(int L) { + const int i = sten[L].iv[0]; + const int j = sten[L].iv[1]; + const int k = sten[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + for (int ii = 0; ii < 3; ii++) { + for (int jj = 0; jj < 3; jj++) { + sten[L].val[ii][jj] = 0.0; + } + } + const amrex::Real ct0 = fc(i, j, k, 0); + const amrex::Real ct1 = fc(i, j, k, 1); + const int t0n = (int)amrex::Math::copysign(1.0, ct0); + const int t1n = (int)amrex::Math::copysign(1.0, ct1); + const amrex::Real act0 = amrex::Math::abs(ct0); + const amrex::Real act1 = amrex::Math::abs(ct1); + sten[L].val[1][1] = fa(i, j, k) * (1.0 - act0) * (1.0 - act1); + sten[L].val[t1n + 1][1] = fa(i, j, k) * act0 * (1.0 - act1); + sten[L].val[1][t0n + 1] = fa(i, j, k) * (1.0 - act0) * act1; + sten[L].val[t1n + 1][t0n + 1] = fa(i, j, k) * act0 * act1; + } + }); +} + +void +pc_apply_face_stencil( + const amrex::Box bx, + const amrex::Box sbx, + const FaceSten* sten, + const int Nsten, + const int dir, + const int nc, + const amrex::Array4& vout) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + + for (int n = 0; n < nc; n++) { + amrex::Vector newval_vec(Nsten, 0.0); + amrex::AsyncArray newval(newval_vec.data(), newval_vec.size()); + amrex::Real* d_newval = newval.data(); + + amrex::ParallelFor(Nsten, [=] AMREX_GPU_DEVICE(int L) { + const int i = sten[L].iv[0]; + const int j = sten[L].iv[1]; + const int k = sten[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + + if (dir == 0) { + for (int t0 = 0; t0 < 3; t0++) { + for (int t1 = 0; t1 < 3; t1++) { + d_newval[L] += + sten[L].val[t1][t0] * vout(i, j - 1 + t0, k - 1 + t1, n); + } + } + } else if (dir == 1) { + for (int t0 = 0; t0 < 3; t0++) { + for (int t1 = 0; t1 < 3; t1++) { + d_newval[L] += + sten[L].val[t1][t0] * vout(i - 1 + t0, j, k - 1 + t1, n); + } + } + } else if (dir == 2) { + for (int t0 = 0; t0 < 3; t0++) { + for (int t1 = 0; t1 < 3; t1++) { + d_newval[L] += + sten[L].val[t1][t0] * vout(i - 1 + t0, j - 1 + t1, k, n); + } + } + } + } + }); + + amrex::ParallelFor(Nsten, [=] AMREX_GPU_DEVICE(int L) { + const int i = sten[L].iv[0]; + const int j = sten[L].iv[1]; + const int k = sten[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + vout(i, j, k, n) = d_newval[L]; + } + }); + } +} + +void +pc_fix_div_and_redistribute( + const amrex::Box bx, + const amrex::Real vol, + const amrex::Real dt, + const int nc, + const amrex::Real eb_small_vfrac, + const bool levmsk_notcovered, + const EBBndryGeom* sv_ebg, + const int Ncut, + const amrex::Array4& flags, + const amrex::Array4& f0, + const amrex::Array4& f1, + const amrex::Array4& f2, + const amrex::Real* ebflux, + const int nebflux, + const amrex::Array4& vf, + const amrex::Array4& W, + const bool as_crse, + const bool as_fine, + const amrex::Array4& levmsk, + const amrex::Array4& rr_flag_crse, + const amrex::Array4& DC, + const amrex::Array4& rr_drho_crse, + const amrex::Array4& dm_as_fine) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + const amrex::Real volinv = 1.0 / vol; + + for (int n = 0; n < nc; n++) { + + // Recompute conservative divergence, DC, on cut cells...need DC in 2 grow + // cells for final result + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int L) { + const int i = sv_ebg[L].iv[0]; + const int j = sv_ebg[L].iv[1]; + const int k = sv_ebg[L].iv[2]; + if (is_inside(i, j, k, lo, hi, 2)) { + const amrex::Real kappa_inv = 1.0 / amrex::max(vf(i, j, k), 1.0e-12); + amrex::Real tmp; +#ifdef _OPENMP +#pragma omp atomic read +#endif + tmp = ebflux[n * Ncut + L]; + DC(i, j, k, n) = + -(f0(i + 1, j, k, n) - f0(i, j, k, n) + f1(i, j + 1, k, n) - + f1(i, j, k, n) + f2(i, j, k + 1, n) - f2(i, j, k, n) + tmp) * + volinv * kappa_inv; + } + }); + + // Compute non-conservative and hybrid divergence, DNC and HD, and + // redistribution mass dM in cut cells. Will need in 1 grow cells (see + // below), so it depends on having a conservative div in 2 grow cells + amrex::Vector dM_vec(Ncut, 0.0); + amrex::Vector HD_vec(Ncut, 0.0); + amrex::AsyncArray h_dM(dM_vec.data(), dM_vec.size()); + amrex::AsyncArray h_HD(HD_vec.data(), HD_vec.size()); + amrex::Real* dM = h_dM.data(); + amrex::Real* HD = h_HD.data(); + amrex::Gpu::synchronize(); + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int L) { + const int i = sv_ebg[L].iv[0]; + const int j = sv_ebg[L].iv[1]; + const int k = sv_ebg[L].iv[2]; + if (is_inside(i, j, k, lo, hi, 1)) { + amrex::Real sum_kappa = 0.0, sum_div = 0.0; + for (int ii = -1; ii <= 1; ii++) { + for (int jj = -1; jj <= 1; jj++) { + for (int kk = -1; kk <= 1; kk++) { + sum_kappa += flags(i, j, k).isConnected(ii, jj, kk) * + vf(i + ii, j + jj, k + kk); + sum_div += flags(i, j, k).isConnected(ii, jj, kk) * + vf(i + ii, j + jj, k + kk) * + DC(i + ii, j + jj, k + kk, n); + } + } + } + const amrex::Real DNC = sum_div / sum_kappa; + if (sv_ebg[L].eb_vfrac < eb_small_vfrac) { + dM[L] = vf(i, j, k) * DC(i, j, k, n); + HD[L] = 0.0; + } else { + dM[L] = vf(i, j, k) * (1.0 - vf(i, j, k)) * (DC(i, j, k, n) - DNC); + HD[L] = vf(i, j, k) * DC(i, j, k, n) + (1.0 - vf(i, j, k)) * DNC; + } + } + }); + + // Now that we finished computing HD and dM everywhere, it is safe to + // increment DC to hold HD + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int L) { + const int i = sv_ebg[L].iv[0]; + const int j = sv_ebg[L].iv[1]; + const int k = sv_ebg[L].iv[2]; + if (is_inside(i, j, k, lo, hi, 1)) { + DC(i, j, k, n) = HD[L]; + } + }); + + // Redistribute dM - THIS REQUIRES THAT DC BE GOOD IN 1 GROW CELL + const amrex::Real reredistribution_threshold = + amrex_eb_get_reredistribution_threshold(); + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int L) { + const int i = sv_ebg[L].iv[0]; + const int j = sv_ebg[L].iv[1]; + const int k = sv_ebg[L].iv[2]; + if (is_inside(i, j, k, lo, hi, 1)) { + amrex::Real sum_kappa = 0.0; + for (int ii = -1; ii <= 1; ii++) { + for (int jj = -1; jj <= 1; jj++) { + for (int kk = -1; kk <= 1; kk++) { + int nbr = flags(i, j, k).isConnected(ii, jj, kk); + if ((ii == 0) and (jj == 0) and (kk == 0)) { + nbr = 0; + } + if (vf(i + ii, j + jj, k + kk) < eb_small_vfrac) { + nbr = 0; + } + sum_kappa += + nbr * vf(i + ii, j + jj, k + kk) * W(i + ii, j + jj, k + kk); + } + } + } + const amrex::Real sum_kappa_inv = 1.0 / sum_kappa; + for (int ii = -1; ii <= 1; ii++) { + for (int jj = -1; jj <= 1; jj++) { + for (int kk = -1; kk <= 1; kk++) { + int nbr = flags(i, j, k).isConnected(ii, jj, kk); + if ((ii == 0) and (jj == 0) and (kk == 0)) { + nbr = 0; + } + if (vf(i + ii, j + jj, k + kk) < eb_small_vfrac) { + nbr = 0; + } + amrex::Gpu::Atomic::Add( + &DC(i + ii, j + jj, k + kk, n), + dM[L] * nbr * W(i + ii, j + jj, k + kk) * sum_kappa_inv); + // DC(i + ii, j + jj, k + kk, n) += dM[L] * nbr * W(i + ii, j + + // jj, k + kk) * sum_kappa_inv; + } + } + } + + // re redistribution book keeping + bool as_crse_crse_cell = false; + bool as_crse_covered_cell = false; + if (as_crse) { + as_crse_crse_cell = + is_inside(i, j, k, lo, hi) and + (rr_flag_crse(i, j, k) == amrex_yafluxreg_crse_fine_boundary_cell); + as_crse_covered_cell = + rr_flag_crse(i, j, k) == amrex_yafluxreg_fine_cell; + } + + bool as_fine_valid_cell = false; // valid cells near box boundary + bool as_fine_ghost_cell = + false; // ghost cells just outside valid region + if (as_fine) { + as_fine_valid_cell = is_inside(i, j, k, lo, hi); + as_fine_ghost_cell = + (levmsk(i, j, k) == + levmsk_notcovered); // not covered by other grids + } + + for (int ii = -1; ii <= 1; ii++) { + for (int jj = -1; jj <= 1; jj++) { + for (int kk = -1; kk <= 1; kk++) { + if ( + ((ii != 0) || (jj != 0) || (kk != 0)) and + flags(i, j, k).isConnected(ii, jj, kk)) { + + const int iii = i + ii; + const int jjj = j + jj; + const int kkk = k + kk; + + const amrex::Real drho = + dM[L] * sum_kappa_inv * W(iii, jjj, kkk); + const bool valid_dst_cell = is_inside(iii, jjj, kkk, lo, hi); + + if ( + (as_crse_crse_cell) and + (rr_flag_crse(iii, jjj, kkk) == amrex_yafluxreg_fine_cell) and + (vf(i, j, k) > reredistribution_threshold)) { + rr_drho_crse(i, j, k, n) += + dt * drho * (vf(iii, jjj, kkk) / vf(i, j, k)); + } + + if ( + (as_crse_covered_cell) and (valid_dst_cell) and + (rr_flag_crse(iii, jjj, kkk) == + amrex_yafluxreg_crse_fine_boundary_cell) and + (vf(iii, jjj, kkk) > reredistribution_threshold)) { + // the recipient is a crse/fine boundary cell + rr_drho_crse(iii, jjj, kkk, n) -= dt * drho; + } + + if ((as_fine_valid_cell) and (!valid_dst_cell)) { + dm_as_fine(iii, jjj, kkk, n) += dt * drho * vf(iii, jjj, kkk); + } + + if ((as_fine_ghost_cell) and (valid_dst_cell)) { + dm_as_fine(i, j, k, n) -= dt * drho * vf(iii, jjj, kkk); + } + } + } + } + } + } + }); + } +} + +void +pc_apply_eb_boundry_visc_flux_stencil( + const amrex::Box bx, + const EBBndrySten* sten, + const int Nsten, + const EBBndryGeom* ebg, + const int Nebg, + amrex::Array4 const& q, + amrex::Array4 const& coeff, + const amrex::Real* bcval, + const int Nvals, + amrex::Real* bcflux, + const int Nflux) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + + amrex::ParallelFor(Nsten, [=] AMREX_GPU_DEVICE(int L) { + const int i = sten[L].iv[0]; + const int j = sten[L].iv[1]; + const int k = sten[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + const amrex::Real Nmag = std::sqrt( + ebg[L].eb_normal[0] * ebg[L].eb_normal[0] + + ebg[L].eb_normal[1] * ebg[L].eb_normal[1] + + ebg[L].eb_normal[2] * ebg[L].eb_normal[2]); + const amrex::Real norm[AMREX_SPACEDIM] = { + ebg[L].eb_normal[0] / Nmag, ebg[L].eb_normal[1] / Nmag, + ebg[L].eb_normal[2] / Nmag}; + amrex::Real alpha[AMREX_SPACEDIM] = {0.0}; + int c[AMREX_SPACEDIM] = {0}; + idxsort(norm, c); + alpha[c[2]] = 1.0; + const amrex::Real ndota = + norm[0] * alpha[0] + norm[1] * alpha[1] + norm[2] * alpha[2]; + amrex::Real t1[AMREX_SPACEDIM]; + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) + t1[idir] = alpha[idir] - ndota * norm[idir]; + + const amrex::Real denom = + 1.0 / std::sqrt(t1[0] * t1[0] + t1[1] * t1[1] + t1[2] * t1[2]); + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) + t1[idir] *= denom; + + amrex::Real t2[AMREX_SPACEDIM]; + t2[0] = norm[1] * t1[2] - norm[2] * t1[1]; + t2[1] = norm[2] * t1[0] - norm[0] * t1[2]; + t2[2] = norm[0] * t1[1] - norm[1] * t1[0]; + + amrex::Real Qt[AMREX_SPACEDIM][AMREX_SPACEDIM]; + Qt[0][0] = norm[0]; + Qt[0][1] = norm[1]; + Qt[0][2] = norm[2]; + Qt[1][0] = t1[0]; + Qt[1][1] = t1[1]; + Qt[1][2] = t1[2]; + Qt[2][0] = t2[0]; + Qt[2][1] = t2[1]; + Qt[2][2] = t2[2]; + + // Transform velocities at stencil points to coordinates aligned with EB + amrex::Real Uo[AMREX_SPACEDIM][AMREX_SPACEDIM][AMREX_SPACEDIM] + [AMREX_SPACEDIM]; + for (int ii = 0; ii < 3; ii++) { + for (int jj = 0; jj < 3; jj++) { + for (int kk = 0; kk < 3; kk++) { + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) { + Uo[ii][jj][kk][idir] = + q(sten[L].iv_base[0] + ii, sten[L].iv_base[1] + jj, + sten[L].iv_base[2] + kk, QU + idir); + } + } + } + } + amrex::Real Ut[AMREX_SPACEDIM][AMREX_SPACEDIM][AMREX_SPACEDIM] + [AMREX_SPACEDIM]; + for (int ii = 0; ii < 3; ii++) { + for (int jj = 0; jj < 3; jj++) { + for (int kk = 0; kk < 3; kk++) { + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) { + Ut[ii][jj][kk][idir] = Qt[idir][0] * Uo[ii][jj][kk][0] + + Qt[idir][1] * Uo[ii][jj][kk][1] + + Qt[idir][2] * Uo[ii][jj][kk][2]; + } + } + } + } + + // Transform eb boundary velocities to coordinates aligned with EB + amrex::Real bco[AMREX_SPACEDIM]; + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) + bco[idir] = bcval[idir * Nsten + L]; + + amrex::Real bct[AMREX_SPACEDIM]; + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) + bct[idir] = + Qt[idir][0] * bco[0] + Qt[idir][1] * bco[1] + Qt[idir][2] * bco[2]; + + // Compute normal derivative (times eb area) using precomputed stencil + amrex::Real sum[AMREX_SPACEDIM] = {0.0}; + for (int ii = 0; ii < 3; ii++) { + for (int jj = 0; jj < 3; jj++) { + for (int kk = 0; kk < 3; kk++) { + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) { + sum[idir] += sten[L].val[kk][jj][ii] * Ut[ii][jj][kk][idir]; + } + } + } + } + amrex::Real dUtdn[AMREX_SPACEDIM]; + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) + dUtdn[idir] = sum[idir] + bct[idir] * sten[L].bcval_sten; + + amrex::Real tauDotN[AMREX_SPACEDIM]; + tauDotN[0] = + ((4.0 / 3.0) * coeff(i, j, k, dComp_mu) + coeff(i, j, k, dComp_xi)) * + dUtdn[0]; + tauDotN[1] = coeff(i, j, k, dComp_mu) * dUtdn[1]; + tauDotN[2] = coeff(i, j, k, dComp_mu) * dUtdn[2]; + + for (int idir = 0; idir < AMREX_SPACEDIM; idir++) + bcflux[idir * Nflux + L] = Qt[0][idir] * tauDotN[0] + + Qt[1][idir] * tauDotN[1] + + Qt[2][idir] * tauDotN[2]; + } + }); +} + +void +pc_apply_eb_boundry_flux_stencil( + const amrex::Box bx, + const EBBndrySten* sten, + const int Nsten, + amrex::Array4 const& s, + const int scomp, + amrex::Array4 const& D, + const int Dcomp, + const amrex::Real* bcval, + const int Nvals, + amrex::Real* bcflux, + const int Nflux, + const int nc) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + + amrex::ParallelFor(Nsten, [=] AMREX_GPU_DEVICE(int L) { + const int i = sten[L].iv[0]; + const int j = sten[L].iv[1]; + const int k = sten[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + for (int n = 0; n < nc; n++) { + amrex::Real sum = 0.0; + for (int ii = 0; ii < 3; ii++) { + for (int jj = 0; jj < 3; jj++) { + for (int kk = 0; kk < 3; kk++) { + sum += sten[L].val[kk][jj][ii] * + s(sten[L].iv_base[0] + ii, sten[L].iv_base[1] + jj, + sten[L].iv_base[2] + kk, scomp + n); + } + } + } + bcflux[n * Nflux + L] = + D(i, j, k, Dcomp + n) * + (bcval[n * Nsten + L] * sten[L].bcval_sten + sum); + } + } + }); +} diff --git a/SourceCpp/EBStencilTypes.H b/SourceCpp/EBStencilTypes.H new file mode 100644 index 000000000..3c4c05580 --- /dev/null +++ b/SourceCpp/EBStencilTypes.H @@ -0,0 +1,42 @@ +#ifndef _EBStencilTypes_H_ +#define _EBStencilTypes_H_ + +#include +#include + +static amrex::Box stencil_volume_box( + amrex::IntVect(AMREX_D_DECL(-1, -1, -1)), + amrex::IntVect(AMREX_D_DECL(+1, +1, +1))); + +struct VolSten +{ + amrex::Real val[3][3][3]; + amrex::IntVect iv; +}; + +struct FaceSten +{ + amrex::Real val[3][3]; + amrex::IntVect iv; +}; + +struct EBBndrySten +{ + amrex::Real val[3][3][3]; + amrex::Real bcval_sten; + amrex::IntVect iv; + amrex::IntVect iv_base; +}; + +struct EBBndryGeom +{ + amrex::Real eb_normal[AMREX_SPACEDIM]; + amrex::Real eb_centroid[AMREX_SPACEDIM]; + amrex::Real eb_area; + amrex::Real eb_vfrac; + amrex::IntVect iv; + + bool operator<(const EBBndryGeom& rhs) const { return iv < rhs.iv; } +}; + +#endif diff --git a/SourceCpp/External.cpp b/SourceCpp/External.cpp new file mode 100644 index 000000000..d9f5f0d87 --- /dev/null +++ b/SourceCpp/External.cpp @@ -0,0 +1,80 @@ +#include "PeleC.H" +#include "IndexDefines.H" + +void +PeleC::construct_old_ext_source(amrex::Real time, amrex::Real dt) +{ + amrex::MultiFab& S_old = get_old_data(State_Type); + + int ng = 0; // None filled + + old_sources[ext_src]->setVal(0.0); + + if (!add_ext_src) + return; + + fill_ext_source(time, dt, S_old, S_old, *old_sources[ext_src], ng); + + old_sources[ext_src]->FillBoundary(geom.periodicity()); +} + +void +PeleC::construct_new_ext_source(amrex::Real time, amrex::Real dt) +{ + amrex::MultiFab& S_old = get_old_data(State_Type); + amrex::MultiFab& S_new = get_new_data(State_Type); + + int ng = 0; + + new_sources[ext_src]->setVal(0.0); + + if (!add_ext_src) + return; + + fill_ext_source(time, dt, S_old, S_new, *new_sources[ext_src], ng); +} + +void +PeleC::fill_ext_source( + amrex::Real time, + amrex::Real dt, + const amrex::MultiFab& state_old, + const amrex::MultiFab& state_new, + amrex::MultiFab& ext_src, + int ng) +{ + const amrex::Real* dx = geom.CellSize(); + const amrex::Real* prob_lo = geom.ProbLo(); + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(state_old.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(ext_src, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + const amrex::Box& bx = mfi.growntilebox(ng); + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(bx); + if (typ == amrex::FabType::covered) { + continue; + } +#endif + + auto const& So = state_old.array(mfi); + auto const& Sn = state_new.array(mfi); + auto const& Farr = ext_src.array(mfi); + + // Evaluate the external source + amrex::ParallelFor( + bx, NVAR, [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + Farr(i, j, k, n) = 0.0; + }); + } +} diff --git a/SourceCpp/Filter.H b/SourceCpp/Filter.H new file mode 100644 index 000000000..6cc4a63fd --- /dev/null +++ b/SourceCpp/Filter.H @@ -0,0 +1,147 @@ +#ifndef _FILTER_H_ +#define _FILTER_H_ + +#include +#include +#include + +#include "Constants.H" +#include "Utilities.H" + +#ifdef _OPENMP +#include +#endif + +// Filter types +enum filter_types { + no_filter = 0, + box, // 1 + gaussian, // 2 + box_3pt_approx, // 3 + box_5pt_approx, // 4 + box_3pt_optimized_approx, // 5 + box_5pt_optimized_approx, // 6 + gaussian_3pt_approx, // 7 + gaussian_5pt_approx, // 8 + gaussian_3pt_optimized_approx, // 9 + gaussian_5pt_optimized_approx, // 10 + num_filter_types +}; + +class Filter +{ + +public: + // Default constructor + Filter(const int type = box, const int fgr = 2) : _type(type), _fgr(fgr) + { + + switch (_type) { + + case box: + set_box_weights(); + break; + + case gaussian: + set_gaussian_weights(); + break; + + case box_3pt_approx: + case gaussian_3pt_approx: // same as box_3pt_approx + set_box_3pt_approx_weights(); + break; + + case box_5pt_approx: + set_box_5pt_approx_weights(); + break; + + case box_3pt_optimized_approx: + set_box_3pt_optimized_approx_weights(); + break; + + case box_5pt_optimized_approx: + set_box_5pt_optimized_approx_weights(); + break; + + case gaussian_5pt_approx: + set_gaussian_5pt_approx_weights(); + break; + + case gaussian_3pt_optimized_approx: + set_gaussian_3pt_optimized_approx_weights(); + break; + + case gaussian_5pt_optimized_approx: + set_gaussian_5pt_optimized_approx_weights(); + break; + + case no_filter: + default: + _fgr = 1; + _ngrow = 0; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + _weights[0] = 1.; + break; + + } // end switch + }; + + // Default destructor + ~Filter(){}; + + int get_filter_ngrow() { return _ngrow; }; + + void apply_filter(const amrex::MultiFab& in, amrex::MultiFab& out); + + void apply_filter( + const amrex::MultiFab& in, + amrex::MultiFab& out, + const int nstart, + const int ncnt); + + void apply_filter( + const amrex::Box cbox, const amrex::FArrayBox& in, amrex::FArrayBox& out); + + void apply_filter( + const amrex::Box cbox, + const amrex::FArrayBox& in, + amrex::FArrayBox& out, + const int nstart, + const int ncnt); + + void apply_filter( + const amrex::Box box, + const amrex::FArrayBox& in, + amrex::FArrayBox& out, + const int nstart, + const int ncnt, + const int ncomp); + +private: + int _type; + int _fgr; + int _ngrow; + int _nweights; + amrex::Vector _weights; + + void set_box_weights(); + + void set_gaussian_weights(); + + void set_box_3pt_approx_weights(); + + void set_box_5pt_approx_weights(); + + void set_box_3pt_optimized_approx_weights(); + + void set_box_5pt_optimized_approx_weights(); + + void set_gaussian_5pt_approx_weights(); + + void set_gaussian_3pt_optimized_approx_weights(); + + void set_gaussian_5pt_optimized_approx_weights(); +}; + +#endif /*_FILTER_H_*/ diff --git a/SourceCpp/Filter.cpp b/SourceCpp/Filter.cpp new file mode 100644 index 000000000..b1f40a49c --- /dev/null +++ b/SourceCpp/Filter.cpp @@ -0,0 +1,509 @@ +#include + +/** + * Set the filter weights for the standard box filter + **/ +void +Filter::set_box_weights() +{ + + AMREX_ASSERT(_fgr % 2 == 0 || _fgr == 1); + _ngrow = _fgr / 2; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + // Set the weights + for (int i = 0; i < _nweights; i++) { + _weights[i] = 1.0 / _fgr; + } + + // Only half the cell is used at the ends + if (_fgr > 1) { + _weights[0] = 0.5 * _weights[0]; + _weights[_nweights - 1] = _weights[0]; + } +} + +/** + * Set the filter weights for the standard gaussian filter + **/ +void +Filter::set_gaussian_weights() +{ + + AMREX_ASSERT(_fgr % 2 == 0); + _ngrow = _fgr / 2; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + // Set the weights + amrex::Real gamma = 6.0; + amrex::Real sigma = std::sqrt(1.0 / (2.0 * gamma)) * _fgr; + for (int i = 0; i < _nweights; i++) { + // equivalent to: std::sqrt(gamma / (PI * _fgr * _fgr)) * std::exp((-gamma + // * (i-_ngrow) * (i-_ngrow)) / (_fgr * _fgr)); + _weights[i] = + 1.0 / (std::sqrt(2.0 * PI) * sigma) * + std::exp((-(i - _ngrow) * (i - _ngrow)) / (2 * sigma * sigma)); + } + // normalize to ensure it all sums to one + amrex::Real sum = std::accumulate(_weights.begin(), _weights.end(), 0.0); + for (int i = 0; i < _nweights; i++) { + _weights[i] /= sum; + } +} + +/** + * Set the filter weights for the 3pt polynomial truncation + * approximation of the box filter. See Eq. 26 in Sagaut & Grohens + * (1999) Int. J. Num. Meth. Fluids. + **/ +void +Filter::set_box_3pt_approx_weights() +{ + + _ngrow = 1; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + // Set the weights + _weights[0] = _fgr * _fgr / 24.0; + _weights[1] = (12.0 - _fgr * _fgr) / 12.0; + _weights[2] = _weights[0]; +} + +/** + * Set the filter weights for the 5pt polynomial truncation + * approximation of the box filter. See Eq. 27 in Sagaut & Grohens + * (1999) Int. J. Num. Meth. Fluids (though there are typos). + **/ +void +Filter::set_box_5pt_approx_weights() +{ + + _ngrow = 2; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + // Set the weights + int _fgr2 = _fgr * _fgr; + int _fgr4 = _fgr2 * _fgr2; + _weights[0] = (3.0 * _fgr4 - 20.0 * _fgr2) / 5760.0; + _weights[1] = (80.0 * _fgr2 - 3.0 * _fgr4) / 1440.0; + _weights[2] = (3.0 * _fgr4 - 100.0 * _fgr2 + 960.0) / 960.0; + _weights[3] = _weights[1]; + _weights[4] = _weights[0]; +} + +/** + * Set the filter weights for the 3pt optimized approximation of the + * box filter. See Table I in Sagaut & Grohens (1999) + * Int. J. Num. Meth. Fluids. + **/ +void +Filter::set_box_3pt_optimized_approx_weights() +{ + + _ngrow = 1; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + amrex::Real ratio; + switch (_fgr) { + + case 1: + ratio = 0.079; + break; + + case 2: + ratio = 0.274; + break; + + case 3: + ratio = 1.377; + break; + + case 4: + ratio = -2.375; + break; + + case 5: + ratio = -1.000; + break; + + case 6: + ratio = -0.779; + break; + + case 7: + ratio = -0.680; + break; + + case 8: + ratio = -0.627; + break; + + case 9: + ratio = -0.596; + break; + + case 10: + ratio = -0.575; + break; + + default: // default to standard box filter + set_box_weights(); + return; + break; + + } // end switch + + // Set the weights + _weights[0] = ratio / (1 + 2.0 * ratio); + _weights[1] = 1.0 - 2.0 * _weights[0]; + _weights[2] = _weights[0]; +} + +/** + * Set the filter weights for the 5pt optimized approximation of the + * box filter. See Table I in Sagaut & Grohens (1999) + * Int. J. Num. Meth. Fluids. + **/ +void +Filter::set_box_5pt_optimized_approx_weights() +{ + + _ngrow = 2; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + amrex::Real ratio1; + amrex::Real ratio2; + switch (_fgr) { + + case 1: + ratio1 = 0.0886; + ratio2 = -0.0169; + break; + + case 2: + ratio1 = 0.3178; + ratio2 = -0.0130; + break; + + case 3: + ratio1 = 1.0237; + ratio2 = 0.0368; + break; + + case 4: + ratio1 = 2.4414; + ratio2 = 0.5559; + break; + + case 5: + ratio1 = 0.2949; + ratio2 = 0.7096; + break; + + case 6: + ratio1 = -0.5276; + ratio2 = 0.4437; + break; + + case 7: + ratio1 = -0.6708; + ratio2 = 0.3302; + break; + + case 8: + ratio1 = -0.7003; + ratio2 = 0.2767; + break; + + case 9: + ratio1 = -0.7077; + ratio2 = 0.2532; + break; + + case 10: + ratio1 = -0.6996; + ratio2 = 0.2222; + break; + + default: // default to standard box filter + set_box_weights(); + return; + break; + + } // end switch + + // Set the weights + _weights[0] = ratio2 / (1 + 2.0 * ratio1 + 2.0 * ratio2); + _weights[1] = ratio1 / ratio2 * _weights[0]; + _weights[2] = 1.0 - 2.0 * _weights[0] - 2.0 * _weights[1]; + _weights[3] = _weights[1]; + _weights[4] = _weights[0]; +} + +/** + * Set the filter weights for the 5pt polynomial truncation + * approximation of the gaussian filter. See Eq. 29 in Sagaut & + * Grohens (1999) Int. J. Num. Meth. Fluids. + **/ +void +Filter::set_gaussian_5pt_approx_weights() +{ + + _ngrow = 2; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + // Set the weights + int _fgr2 = _fgr * _fgr; + int _fgr4 = _fgr2 * _fgr2; + _weights[0] = (_fgr4 - 4.0 * _fgr2) / 1152.0; + _weights[1] = (16.0 * _fgr2 - _fgr4) / 288.0; + _weights[2] = (_fgr4 - 20.0 * _fgr2 + 192.0) / 192.0; + _weights[3] = _weights[1]; + _weights[4] = _weights[0]; +} + +/** + * Set the filter weights for the 3pt optimized approximation of the + * gaussian filter. See Table I in Sagaut & Grohens (1999) + * Int. J. Num. Meth. Fluids. + **/ +void +Filter::set_gaussian_3pt_optimized_approx_weights() +{ + + _ngrow = 1; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + amrex::Real ratio; + switch (_fgr) { + + case 1: + ratio = 0.0763; + break; + + case 2: + ratio = 0.2527; + break; + + case 3: + ratio = 1.1160; + break; + + case 4: + ratio = -3.144; + break; + + case 5: + ratio = -1.102; + break; + + case 6: + ratio = -0.809; + break; + + case 7: + ratio = -0.696; + break; + + case 8: + ratio = -0.638; + break; + + case 9: + ratio = -0.604; + break; + + case 10: + ratio = -0.581; + break; + + default: // default to the 3pt gaussian filter + set_box_3pt_approx_weights(); + return; + break; + + } // end switch + + // Set the weights + _weights[0] = ratio / (1 + 2.0 * ratio); + _weights[1] = 1.0 - 2.0 * _weights[0]; + _weights[2] = _weights[0]; +} + +/** + * Set the filter weights for the 5pt optimized approximation of the + * gaussian filter. See Table I in Sagaut & Grohens (1999) + * Int. J. Num. Meth. Fluids. + **/ +void +Filter::set_gaussian_5pt_optimized_approx_weights() +{ + + _ngrow = 2; + _nweights = 2 * _ngrow + 1; + _weights.resize(_nweights); + + amrex::Real ratio1; + amrex::Real ratio2; + switch (_fgr) { + + case 1: + ratio1 = 0.0871; + ratio2 = -0.0175; + break; + + case 2: + ratio1 = 0.2596; + ratio2 = -0.0021; + break; + + case 3: + ratio1 = 0.4740; + ratio2 = 0.0785; + break; + + case 4: + ratio1 = 0.1036; + ratio2 = 0.2611; + break; + + case 5: + ratio1 = -0.4252; + ratio2 = 0.3007; + break; + + case 6: + ratio1 = -0.6134; + ratio2 = 0.2696; + break; + + case 7: + ratio1 = -0.6679; + ratio2 = 0.2419; + break; + + case 8: + ratio1 = -0.6836; + ratio2 = 0.2231; + break; + + case 9: + ratio1 = -0.6873; + ratio2 = 0.2103; + break; + + case 10: + ratio1 = -0.6870; + ratio2 = 0.2014; + break; + + default: // default to 5pt gaussian filter + set_gaussian_5pt_approx_weights(); + return; + break; + + } // end switch + + // Set the weights + _weights[0] = ratio2 / (1 + 2.0 * ratio1 + 2.0 * ratio2); + _weights[1] = ratio1 / ratio2 * _weights[0]; + _weights[2] = 1.0 - 2.0 * _weights[0] - 2.0 * _weights[1]; + _weights[3] = _weights[1]; + _weights[4] = _weights[0]; +} + +/** + * Run the filtering operation on a MultiFab + **/ +void +Filter::apply_filter(const amrex::MultiFab& in, amrex::MultiFab& out) +{ + apply_filter(in, out, 0, out.nComp()); +} + +void +Filter::apply_filter( + const amrex::MultiFab& in, + amrex::MultiFab& out, + const int nstart, + const int ncnt) +{ + + // Ensure enough grow cells + AMREX_ASSERT(in.nGrow() >= out.nGrow() + _ngrow); + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(in, amrex::TilingIfNotGPU()); mfi.isValid(); ++mfi) { + const amrex::Box cbox = mfi.growntilebox(out.nGrow()); + apply_filter(cbox, in[mfi], out[mfi], nstart, ncnt); + } +} + +/** + * Run the filtering operation on a FAB + **/ +void +Filter::apply_filter( + const amrex::Box cbox, const amrex::FArrayBox& in, amrex::FArrayBox& out) +{ + apply_filter(cbox, in, out, 0, out.nComp()); +} + +void +Filter::apply_filter( + const amrex::Box cbox, + const amrex::FArrayBox& in, + amrex::FArrayBox& out, + const int nstart, + const int ncnt) +{ + + BL_PROFILE("Filter::apply_filter()"); + AMREX_ASSERT(in.nComp() == out.nComp()); + + const int ncomp = in.nComp(); + apply_filter(cbox, in, out, nstart, ncnt, ncomp); +} + +void +Filter::apply_filter( + const amrex::Box box, + const amrex::FArrayBox& in, + amrex::FArrayBox& out, + const int nstart, + const int ncnt, + const int ncomp) +{ + + const auto q = in.array(); + auto qh = out.array(); + setC(box, nstart, ncnt, qh, 0.0); + const amrex::AsyncArray weights( + _weights.data(), _weights.size()); + const amrex::Real* w = weights.data(); + + const int captured_ngrow = _ngrow; + amrex::ParallelFor( + box, ncnt - nstart, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int nc) noexcept { + for (int n = -captured_ngrow; n <= captured_ngrow; n++) { + for (int m = -captured_ngrow; m <= captured_ngrow; m++) { + for (int l = -captured_ngrow; l <= captured_ngrow; l++) { + qh(i, j, k, nc + nstart) += + w[l + captured_ngrow] * w[m + captured_ngrow] * + w[n + captured_ngrow] * q(i + l, j + m, k + n, nc); + } + } + } + }); +} diff --git a/SourceCpp/Forcing.H b/SourceCpp/Forcing.H new file mode 100644 index 000000000..4b3a5fe45 --- /dev/null +++ b/SourceCpp/Forcing.H @@ -0,0 +1,15 @@ +#ifndef _FORCING_H_ +#define _FORCING_H_ + +#include +#include +#include "IndexDefines.H" + +namespace forcing_params { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real u0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real v0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real w0; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real forcing; +} // namespace forcing_params + +#endif diff --git a/SourceCpp/Forcing.cpp b/SourceCpp/Forcing.cpp new file mode 100644 index 000000000..c5d00056a --- /dev/null +++ b/SourceCpp/Forcing.cpp @@ -0,0 +1,92 @@ +#include "PeleC.H" +#include "Forcing.H" + +namespace forcing_params { +AMREX_GPU_DEVICE_MANAGED amrex::Real u0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real v0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real w0 = 0.0; +AMREX_GPU_DEVICE_MANAGED amrex::Real forcing = 0.0; +} // namespace forcing_params + +void +PeleC::construct_old_forcing_source(amrex::Real time, amrex::Real dt) +{ + amrex::MultiFab& S_old = get_old_data(State_Type); + + int ng = 0; // None filled + + old_sources[forcing_src]->setVal(0.0); + + if (!add_forcing_src) + return; + + fill_forcing_source(time, dt, S_old, S_old, *old_sources[forcing_src], ng); + + old_sources[forcing_src]->FillBoundary(geom.periodicity()); +} + +void +PeleC::construct_new_forcing_source(amrex::Real time, amrex::Real dt) +{ + amrex::MultiFab& S_old = get_old_data(State_Type); + amrex::MultiFab& S_new = get_new_data(State_Type); + + int ng = 0; + + new_sources[forcing_src]->setVal(0.0); + + if (!add_forcing_src) + return; + + fill_forcing_source(time, dt, S_old, S_new, *new_sources[forcing_src], ng); +} + +void +PeleC::fill_forcing_source( + amrex::Real time, + amrex::Real dt, + const amrex::MultiFab& state_old, + const amrex::MultiFab& state_new, + amrex::MultiFab& forcing_src, + int ng) +{ + const amrex::Real* dx = geom.CellSize(); + const amrex::Real* prob_lo = geom.ProbLo(); + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(state_old.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(forcing_src, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + const amrex::Box& bx = mfi.growntilebox(ng); + amrex::RealBox gridloc = + amrex::RealBox(grids[mfi.index()], geom.CellSize(), geom.ProbLo()); + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(bx); + if (typ == amrex::FabType::covered) { + continue; + } +#endif + + auto const& sarr = state_new.array(mfi); + auto const& src = forcing_src.array(mfi); + + // Evaluate the linear forcing term + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + src(i, j, k, UMX) = forcing_params::forcing * sarr(i, j, k, URHO) * + (sarr(i, j, k, UMX) - forcing_params::u0); + src(i, j, k, UMY) = forcing_params::forcing * sarr(i, j, k, URHO) * + (sarr(i, j, k, UMY) - forcing_params::v0); + src(i, j, k, UMZ) = forcing_params::forcing * sarr(i, j, k, URHO) * + (sarr(i, j, k, UMZ) - forcing_params::w0); + }); + } +} diff --git a/SourceCpp/GradUtil.H b/SourceCpp/GradUtil.H new file mode 100644 index 000000000..7699167b1 --- /dev/null +++ b/SourceCpp/GradUtil.H @@ -0,0 +1,116 @@ +#ifndef _GRADUTIL_H_ +#define _GRADUTIL_H_ + +#include +#include "IndexDefines.H" +#ifdef PELEC_USE_EB +#include "EB.H" +#endif + +/*This header file contains functions and declarations for Gradient Utilities in + 3D for PeleC GPU. As per the convention of AMReX, inlined functions are + defined here. Where as non-inline functions are declared here. */ + +namespace GradUtils { +const int nCompTan = AMREX_D_PICK(0, 2, 6); +} // namespace GradUtils + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_compute_tangential_vel_derivs( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const int dir, + const amrex::Real dx1, + const amrex::Real dx2, + const amrex::Array4& td) +{ + // dx1 and dx2 will be the trangential grid spacing + const amrex::Real dx1inv = 1.0 / dx1; + const amrex::Real dx2inv = 1.0 / dx2; + // This is because it is a tangential velocity derivative. + if (dir == 0) { + // dx1 = dy, dx2 = dz +#if AMREX_SPACEDIM > 1 + td(i, j, k, 0) = 0.25 * dx1inv * + (q(i, j + 1, k, QU) + q(i - 1, j + 1, k, QU) - + q(i, j - 1, k, QU) - q(i - 1, j - 1, k, QU)); // dudy + td(i, j, k, 1) = 0.25 * dx1inv * + (q(i, j + 1, k, QV) + q(i - 1, j + 1, k, QV) - + q(i, j - 1, k, QV) - q(i - 1, j - 1, k, QV)); // dvdy +#endif +#if AMREX_SPACEDIM > 2 + td(i, j, k, 2) = 0.25 * dx1inv * + (q(i, j + 1, k, QW) + q(i - 1, j + 1, k, QW) - + q(i, j - 1, k, QW) - q(i - 1, j - 1, k, QW)); // dwdy + td(i, j, k, 3) = 0.25 * dx2inv * + (q(i, j, k + 1, QU) + q(i - 1, j, k + 1, QU) - + q(i, j, k - 1, QU) - q(i - 1, j, k - 1, QU)); // dudz + td(i, j, k, 4) = 0.25 * dx2inv * + (q(i, j, k + 1, QV) + q(i - 1, j, k + 1, QV) - + q(i, j, k - 1, QV) - q(i - 1, j, k - 1, QV)); // dvdz + td(i, j, k, 5) = 0.25 * dx2inv * + (q(i, j, k + 1, QW) + q(i - 1, j, k + 1, QW) - + q(i, j, k - 1, QW) - q(i - 1, j, k - 1, QW)); // dwdz +#endif + } else if (dir == 1) { + // dx1 = dx, dx2 = dz + td(i, j, k, 0) = 0.25 * dx1inv * + (q(i + 1, j, k, QU) + q(i + 1, j - 1, k, QU) - + q(i - 1, j, k, QU) - q(i - 1, j - 1, k, QU)); // dudx + td(i, j, k, 1) = 0.25 * dx1inv * + (q(i + 1, j, k, QV) + q(i + 1, j - 1, k, QV) - + q(i - 1, j, k, QV) - q(i - 1, j - 1, k, QV)); // dvdx +#if AMREX_SPACEDIM > 2 + td(i, j, k, 2) = 0.25 * dx1inv * + (q(i + 1, j, k, QW) + q(i + 1, j - 1, k, QW) - + q(i - 1, j, k, QW) - q(i - 1, j - 1, k, QW)); // dwdx + td(i, j, k, 3) = 0.25 * dx2inv * + (q(i, j, k + 1, QU) + q(i, j - 1, k + 1, QU) - + q(i, j, k - 1, QU) - q(i, j - 1, k - 1, QU)); // dudz + td(i, j, k, 4) = 0.25 * dx2inv * + (q(i, j, k + 1, QV) + q(i, j - 1, k + 1, QV) - + q(i, j, k - 1, QV) - q(i, j - 1, k - 1, QV)); // dvdz + td(i, j, k, 5) = 0.25 * dx2inv * + (q(i, j, k + 1, QW) + q(i, j - 1, k + 1, QW) - + q(i, j, k - 1, QW) - q(i, j - 1, k - 1, QW)); // dwdz +#endif + } else if (dir == 2) { + // dx1 = dx, dx2 = dy + td(i, j, k, 0) = 0.25 * dx1inv * + (q(i + 1, j, k, QU) + q(i + 1, j, k - 1, QU) - + q(i - 1, j, k, QU) - q(i - 1, j, k - 1, QU)); // dudx + td(i, j, k, 1) = 0.25 * dx1inv * + (q(i + 1, j, k, QV) + q(i + 1, j, k - 1, QV) - + q(i - 1, j, k, QV) - q(i - 1, j, k - 1, QV)); // dvdx + td(i, j, k, 2) = 0.25 * dx1inv * + (q(i + 1, j, k, QW) + q(i + 1, j, k - 1, QW) - + q(i - 1, j, k, QW) - q(i - 1, j, k - 1, QW)); // dwdx + td(i, j, k, 3) = 0.25 * dx2inv * + (q(i, j + 1, k, QU) + q(i, j + 1, k - 1, QU) - + q(i, j - 1, k, QU) - q(i, j - 1, k - 1, QU)); // dudy + td(i, j, k, 4) = 0.25 * dx2inv * + (q(i, j + 1, k, QV) + q(i, j + 1, k - 1, QV) - + q(i, j - 1, k, QV) - q(i, j - 1, k - 1, QV)); // dvdy + td(i, j, k, 5) = 0.25 * dx2inv * + (q(i, j + 1, k, QW) + q(i, j + 1, k - 1, QW) - + q(i, j - 1, k, QW) - q(i, j - 1, k - 1, QW)); // dwdy + } +} + +#ifdef PELEC_USE_EB +void pc_compute_tangential_vel_derivs_eb( + const amrex::Box, + const int, + const amrex::Real, + const amrex::Real, + const EBBndryGeom*, + const int, + const amrex::Array4&, + const amrex::Array4&, + const amrex::Array4&); +#endif +#endif diff --git a/SourceCpp/GradUtil.cpp b/SourceCpp/GradUtil.cpp new file mode 100644 index 000000000..1b5e7c207 --- /dev/null +++ b/SourceCpp/GradUtil.cpp @@ -0,0 +1,169 @@ +#include "GradUtil.H" + +#ifdef PELEC_USE_EB +void +pc_compute_tangential_vel_derivs_eb( + const amrex::Box bx, + const int dir, + const amrex::Real dx1, + const amrex::Real dx2, + const EBBndryGeom* sv_ebg, + const int Ncut, + const amrex::Array4& q, + const amrex::Array4& flags, + const amrex::Array4& td) +{ + const auto lo = amrex::lbound(bx); + const auto hi = amrex::ubound(bx); + + // dx1 and dx2 will be the trangential grid spacing + const amrex::Real dx1inv = 1.0 / dx1; + const amrex::Real dx2inv = 1.0 / dx2; + const amrex::GpuArray weights{0.0, 1.0, 0.5}; + + if (dir == 0) { + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int L) { + int i = 0; + int j = 0; + int k = 0; + AMREX_D_TERM(i = sv_ebg[L].iv[0];, j = sv_ebg[L].iv[1]; + , k = sv_ebg[L].iv[2];); + if (is_inside(i, j, k, lo, hi)) { + const int jhip = j + flags(i, j, k).isConnected(0, 1, 0); + const int jhim = j - flags(i, j, k).isConnected(0, -1, 0); + const int jlop = j + flags(i - 1, j, k).isConnected(0, 1, 0); + const int jlom = j - flags(i - 1, j, k).isConnected(0, -1, 0); + const amrex::Real wjhi = weights[jhip - jhim]; + const amrex::Real wjlo = weights[jlop - jlom]; + td(i, j, k, 0) = + 0.5 * dx1inv * + ((q(i, jhip, k, QU) - q(i, jhim, k, QU)) * wjhi + + (q(i - 1, jlop, k, QU) - q(i - 1, jlom, k, QU)) * wjlo); + td(i, j, k, 1) = + 0.5 * dx1inv * + ((q(i, jhip, k, QV) - q(i, jhim, k, QV)) * wjhi + + (q(i - 1, jlop, k, QV) - q(i - 1, jlom, k, QV)) * wjlo); +#if AMREX_SPACEDIM == 3 + td(i, j, k, 2) = + 0.5 * dx1inv * + ((q(i, jhip, k, QW) - q(i, jhim, k, QW)) * wjhi + + (q(i - 1, jlop, k, QW) - q(i - 1, jlom, k, QW)) * wjlo); + + const int khip = k + flags(i, j, k).isConnected(0, 0, 1); + const int khim = k - flags(i, j, k).isConnected(0, 0, -1); + const int klop = k + flags(i - 1, j, k).isConnected(0, 0, 1); + const int klom = k - flags(i - 1, j, k).isConnected(0, 0, -1); + const amrex::Real wkhi = weights[khip - khim]; + const amrex::Real wklo = weights[klop - klom]; + td(i, j, k, 3) = + 0.5 * dx2inv * + ((q(i, j, khip, QU) - q(i, j, khim, QU)) * wkhi + + (q(i - 1, j, klop, QU) - q(i - 1, j, klom, QU)) * wklo); + td(i, j, k, 4) = + 0.5 * dx2inv * + ((q(i, j, khip, QV) - q(i, j, khim, QV)) * wkhi + + (q(i - 1, j, klop, QV) - q(i - 1, j, klom, QV)) * wklo); + td(i, j, k, 5) = + 0.5 * dx2inv * + ((q(i, j, khip, QW) - q(i, j, khim, QW)) * wkhi + + (q(i - 1, j, klop, QW) - q(i - 1, j, klom, QW)) * wklo); +#endif + } + }); + } else if (dir == 1) { + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int L) { + int i = 0; + int j = 0; + int k = 0; + AMREX_D_TERM(i = sv_ebg[L].iv[0];, j = sv_ebg[L].iv[1]; + , k = sv_ebg[L].iv[2];); + if (is_inside(i, j, k, lo, hi)) { + const int ihip = i + flags(i, j, k).isConnected(1, 0, 0); + const int ihim = i - flags(i, j, k).isConnected(-1, 0, 0); + const int ilop = i + flags(i, j - 1, k).isConnected(1, 0, 0); + const int ilom = i - flags(i, j - 1, k).isConnected(-1, 0, 0); + const amrex::Real wihi = weights[ihip - ihim]; + const amrex::Real wilo = weights[ilop - ilom]; + td(i, j, k, 0) = + 0.5 * dx1inv * + ((q(ihip, j, k, QU) - q(ihim, j, k, QU)) * wihi + + (q(ilop, j - 1, k, QU) - q(ilom, j - 1, k, QU)) * wilo); + td(i, j, k, 1) = + 0.5 * dx1inv * + ((q(ihip, j, k, QV) - q(ihim, j, k, QV)) * wihi + + (q(ilop, j - 1, k, QV) - q(ilom, j - 1, k, QV)) * wilo); +#if AMREX_SPACEDIM == 3 + td(i, j, k, 2) = + 0.5 * dx1inv * + ((q(ihip, j, k, QW) - q(ihim, j, k, QW)) * wihi + + (q(ilop, j - 1, k, QW) - q(ilom, j - 1, k, QW)) * wilo); + + const int khip = k + flags(i, j, k).isConnected(0, 0, 1); + const int khim = k - flags(i, j, k).isConnected(0, 0, -1); + const int klop = k + flags(i, j - 1, k).isConnected(0, 0, 1); + const int klom = k - flags(i, j - 1, k).isConnected(0, 0, -1); + const amrex::Real wkhi = weights[khip - khim]; + const amrex::Real wklo = weights[klop - klom]; + td(i, j, k, 3) = + 0.5 * dx2inv * + ((q(i, j, khip, QU) - q(i, j, khim, QU)) * wkhi + + (q(i, j - 1, klop, QU) - q(i, j - 1, klom, QU)) * wklo); + td(i, j, k, 4) = + 0.5 * dx2inv * + ((q(i, j, khip, QV) - q(i, j, khim, QV)) * wkhi + + (q(i, j - 1, klop, QV) - q(i, j - 1, klom, QV)) * wklo); + td(i, j, k, 5) = + 0.5 * dx2inv * + ((q(i, j, khip, QW) - q(i, j, khim, QW)) * wkhi + + (q(i, j - 1, klop, QW) - q(i, j - 1, klom, QW)) * wklo); +#endif + } + }); + } else if (dir == 2) { + amrex::ParallelFor(Ncut, [=] AMREX_GPU_DEVICE(int L) { + const int i = sv_ebg[L].iv[0]; + const int j = sv_ebg[L].iv[1]; + const int k = sv_ebg[L].iv[2]; + if (is_inside(i, j, k, lo, hi)) { + const int ihip = i + flags(i, j, k).isConnected(1, 0, 0); + const int ihim = i - flags(i, j, k).isConnected(-1, 0, 0); + const int ilop = i + flags(i, j, k - 1).isConnected(1, 0, 0); + const int ilom = i - flags(i, j, k - 1).isConnected(-1, 0, 0); + const amrex::Real wihi = weights[ihip - ihim]; + const amrex::Real wilo = weights[ilop - ilom]; + td(i, j, k, 0) = + 0.5 * dx1inv * + ((q(ihip, j, k, QU) - q(ihim, j, k, QU)) * wihi + + (q(ilop, j, k - 1, QU) - q(ilom, j, k - 1, QU)) * wilo); + td(i, j, k, 1) = + 0.5 * dx1inv * + ((q(ihip, j, k, QV) - q(ihim, j, k, QV)) * wihi + + (q(ilop, j, k - 1, QV) - q(ilom, j, k - 1, QV)) * wilo); + td(i, j, k, 2) = + 0.5 * dx1inv * + ((q(ihip, j, k, QW) - q(ihim, j, k, QW)) * wihi + + (q(ilop, j, k - 1, QW) - q(ilom, j, k - 1, QW)) * wilo); + + const int jhip = j + flags(i, j, k).isConnected(0, 1, 0); + const int jhim = j - flags(i, j, k).isConnected(0, -1, 0); + const int jlop = j + flags(i, j, k - 1).isConnected(0, 1, 0); + const int jlom = j - flags(i, j, k - 1).isConnected(0, -1, 0); + const amrex::Real wjhi = weights[jhip - jhim]; + const amrex::Real wjlo = weights[jlop - jlom]; + td(i, j, k, 3) = + 0.5 * dx2inv * + ((q(i, jhip, k, QU) - q(i, jhim, k, QU)) * wjhi + + (q(i, jlop, k - 1, QU) - q(i, jlom, k - 1, QU)) * wjlo); + td(i, j, k, 4) = + 0.5 * dx2inv * + ((q(i, jhip, k, QV) - q(i, jhim, k, QV)) * wjhi + + (q(i, jlop, k - 1, QV) - q(i, jlom, k - 1, QV)) * wjlo); + td(i, j, k, 5) = + 0.5 * dx2inv * + ((q(i, jhip, k, QW) - q(i, jhim, k, QW)) * wjhi + + (q(i, jlop, k - 1, QW) - q(i, jlom, k - 1, QW)) * wjlo); + } + }); + } +} +#endif diff --git a/SourceCpp/Hydro.H b/SourceCpp/Hydro.H new file mode 100644 index 000000000..179e6b1c2 --- /dev/null +++ b/SourceCpp/Hydro.H @@ -0,0 +1,187 @@ +#ifndef _HYDRO_H_ +#define _HYDRO_H_ + +#include "PeleC.H" +#include "IndexDefines.H" +#include "EOS.H" +#include "Utilities.H" +#include "PLM.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_srctoprim( + const int i, + const int j, + const int k, + amrex::Array4 const& q, + amrex::Array4 const& qa, + amrex::Array4 const& src, + amrex::Array4 const& srcq) +{ + // Local loading Vars ==> Load once from global memory use multiple times + const amrex::Real srcrho = src(i, j, k, URHO); + const amrex::Real rhoinv = 1.0 / q(i, j, k, QRHO); + const amrex::Real vx = q(i, j, k, QU); + const amrex::Real vy = q(i, j, k, QV); + const amrex::Real vz = q(i, j, k, QW); + const amrex::Real umx = src(i, j, k, UMX); + const amrex::Real umy = src(i, j, k, UMY); + const amrex::Real umz = src(i, j, k, UMZ); + // SrcQ Calc + srcq(i, j, k, QRHO) = srcrho; + srcq(i, j, k, QU) = (umx - vx * srcrho) * rhoinv; + srcq(i, j, k, QV) = (umy - vy * srcrho) * rhoinv; + srcq(i, j, k, QW) = (umz - vz * srcrho) * rhoinv; + srcq(i, j, k, QREINT) = src(i, j, k, UEDEN) - vx * umx - vy * umy - vz * umz + + srcrho * (vx * vx + vy * vy + vz * vz); + srcq(i, j, k, QPRES) = + qa(i, j, k, QDPDE) * + (srcq(i, j, k, QREINT) - q(i, j, k, QREINT) * srcrho * rhoinv) * rhoinv + + qa(i, j, k, QDPDR) * srcrho; + + for (int ip = 0; ip < NPASSIVE; ++ip) { + const int n = indxmap::upass_map(ip); + const int nq = indxmap::qpass_map(ip); + srcq(i, j, k, nq) = (src(i, j, k, n) - q(i, j, k, nq) * srcrho) * rhoinv; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_divu( + const int i, + const int j, + const int k, + amrex::Array4 const& q, + AMREX_D_DECL( + const amrex::Real dx, const amrex::Real dy, const amrex::Real dz), + amrex::Array4 const& divu) +{ +#if AMREX_SPACEDIM == 1 + amrex::Real ux = (q(i, j, k, QU) - q(i - 1, j, k, QU)) / dx; +#elif AMREX_SPACEDIM == 2 + amrex::Real ux = 0.5 * + (q(i, j, k, QU) - q(i - 1, j, k, QU) + q(i, j - 1, k, QU) - + q(i - 1, j - 1, k, QU)) / + dx; + amrex::Real vy = 0.5 * + (q(i, j, k, QV) - q(i, j - 1, k, QV) + q(i - 1, j, k, QV) - + q(i - 1, j - 1, k, QV)) / + dy; +#elif AMREX_SPACEDIM == 3 + amrex::Real ux = + 0.25 * + (q(i, j, k, QU) - q(i - 1, j, k, QU) + q(i, j, k - 1, QU) - + q(i - 1, j, k - 1, QU) + q(i, j - 1, k, QU) - q(i - 1, j - 1, k, QU) + + q(i, j - 1, k - 1, QU) - q(i - 1, j - 1, k - 1, QU)) / + dx; + amrex::Real vy = + 0.25 * + (q(i, j, k, QV) - q(i, j - 1, k, QV) + q(i, j, k - 1, QV) - + q(i, j - 1, k - 1, QV) + q(i - 1, j, k, QV) - q(i - 1, j - 1, k, QV) + + q(i - 1, j, k - 1, QV) - q(i - 1, j - 1, k - 1, QV)) / + dy; + amrex::Real wz = + 0.25 * + (q(i, j, k, QW) - q(i, j, k - 1, QW) + q(i - 1, j, k, QW) - + q(i - 1, j, k - 1, QW) + q(i, j - 1, k, QW) - q(i, j - 1, k - 1, QW) + + q(i - 1, j - 1, k, QW) - q(i - 1, j - 1, k - 1, QW)) / + dz; +#endif + divu(i, j, k) = AMREX_D_TERM(ux, +vy, +wz); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_norm_spec_flx( + const int i, const int j, const int k, amrex::Array4 const& flx) +{ + const int num = NUM_SPECIES + UFS; + amrex::Real summ, fac; + summ = 0.0; + for (int n = UFS; n < num; ++n) + summ += flx(i, j, k, n); + + fac = (summ != 0.0) ? flx(i, j, k, URHO) / summ : 1.0; + for (int n = UFS; n < num; ++n) + flx(i, j, k, n) *= fac; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_ext_flx( + const int i, + const int j, + const int k, + amrex::Array4 const& flx, + amrex::Array4 const& a) +{ + amrex::Real area = a(i, j, k); // avoid reading from global memory NVAR times + for (int n = 0; n < NVAR; ++n) + flx(i, j, k, n) *= area; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_update( + const int i, + const int j, + const int k, + amrex::Array4 const& update, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + amrex::Array4 const& vol, + amrex::Array4 const& pdivu) +{ + amrex::Real v = vol(i, j, k); + for (int n = 0; n < NVAR; ++n) { + update(i, j, k, n) += (AMREX_D_TERM( + flx[0](i, j, k, n) - flx[0](i + 1, j, k, n), + +flx[1](i, j, k, n) - flx[1](i, j + 1, k, n), + +flx[2](i, j, k, n) - flx[2](i, j, k + 1, n))) / + v; + } + + update(i, j, k, UEINT) -= pdivu(i, j, k); +} + +// Host functions +void pc_umdrv( + const int is_finest_level, + const amrex::Real time, + amrex::Box const& bx, + const int* dlo, + const int* dhi, + const int* bclo, + const int* bchi, + amrex::Array4 const& uin, + amrex::Array4 const& uout, + amrex::Array4 const& q, + amrex::Array4 const& qaux, + amrex::Array4 const& + src_q, // amrex::IArrayBox const& bcMask, + const amrex::Real* dx, + const amrex::Real dt, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + amrex::Array4 const& vol, + amrex::Real cflLoc); + +void pc_consup( + amrex::Box const& bx, + amrex::Array4 const& u, + amrex::Array4 const& update, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + amrex::Array4 const& vol, + amrex::Array4 const& div, + amrex::Array4 const& pdivu, + amrex::Real const* del, + amrex::Real const difmag); +#endif diff --git a/SourceCpp/Hydro.cpp b/SourceCpp/Hydro.cpp new file mode 100644 index 000000000..9ba47746d --- /dev/null +++ b/SourceCpp/Hydro.cpp @@ -0,0 +1,440 @@ +#include "Hydro.H" + +/** + * Set up the source terms to go into the hydro. + */ +void +PeleC::construct_hydro_source( + const amrex::MultiFab& S, + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle) +{ + if (do_mol) { + if (verbose && amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "... Zeroing Godunov-based hydro advance" << std::endl; + } + hydro_source.setVal(0); + } else { + + if (verbose && amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "... Computing hydro advance" << std::endl; + } + + AMREX_ASSERT(S.nGrow() == NUM_GROW + nGrowF); + sources_for_hydro.setVal(0.0); + int ng = 0; // TODO: This is currently the largest ngrow of the source + // data...maybe this needs fixing? + for (int n = 0; n < src_list.size(); ++n) { + amrex::MultiFab::Saxpy( + sources_for_hydro, 0.5, *new_sources[src_list[n]], 0, 0, NVAR, ng); + amrex::MultiFab::Saxpy( + sources_for_hydro, 0.5, *old_sources[src_list[n]], 0, 0, NVAR, ng); + } +#ifdef PELEC_USE_REACTIONS + // Add I_R terms to advective forcing + if (do_react == 1) { + amrex::MultiFab::Add( + sources_for_hydro, get_new_data(Reactions_Type), 0, FirstSpec, + NUM_SPECIES, ng); + amrex::MultiFab::Add( + sources_for_hydro, get_new_data(Reactions_Type), NUM_SPECIES, Eden, 1, + ng); + } +#endif + sources_for_hydro.FillBoundary(geom.periodicity()); + hydro_source.setVal(0); + + int finest_level = parent->finestLevel(); + + const amrex::Real* dx = geom.CellSize(); + + amrex::Real dx1 = dx[0]; + for (int dir = 1; dir < AMREX_SPACEDIM; ++dir) { + dx1 *= dx[dir]; + } + + std::array dxD = {AMREX_D_DECL(dx1, dx1, dx1)}; + const amrex::Real* dxDp = &(dxD[0]); + + amrex::Real courno = -1.0e+200; + + amrex::MultiFab& S_new = get_new_data(State_Type); + + // note: the radiation consup currently does not fill these + amrex::Real E_added_flux = 0.; + amrex::Real mass_added_flux = 0.; + amrex::Real xmom_added_flux = 0.; + amrex::Real ymom_added_flux = 0.; + amrex::Real zmom_added_flux = 0.; + amrex::Real mass_lost = 0.; + amrex::Real xmom_lost = 0.; + amrex::Real ymom_lost = 0.; + amrex::Real zmom_lost = 0.; + amrex::Real eden_lost = 0.; + amrex::Real xang_lost = 0.; + amrex::Real yang_lost = 0.; + amrex::Real zang_lost = 0.; + + BL_PROFILE_VAR("PeleC::advance_hydro_pc_umdrv()", PC_UMDRV); + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) \ + reduction(+:E_added_flux,mass_added_flux) \ + reduction(+:xmom_added_flux,ymom_added_flux,zmom_added_flux) \ + reduction(+:mass_lost,xmom_lost,ymom_lost,zmom_lost) \ + reduction(+:eden_lost,xang_lost,yang_lost,zang_lost) \ + reduction(max:courno) +#endif + { + // amrex::IArrayBox bcMask[AMREX_SPACEDIM]; + amrex::Real cflLoc = -1.0e+200; + int is_finest_level = (level == finest_level) ? 1 : 0; + int flag_nscbc_isAnyPerio = (geom.isAnyPeriodic()) ? 1 : 0; + int flag_nscbc_perio[AMREX_SPACEDIM]; // For 3D, we will know which + // corners have a periodicity + for (int dir = 0; dir < AMREX_SPACEDIM; ++dir) { + flag_nscbc_perio[dir] = + (amrex::DefaultGeometry().isPeriodic(dir)) ? 1 : 0; + } + + const int* domain_lo = geom.Domain().loVect(); + const int* domain_hi = geom.Domain().hiVect(); + + // Temporary Fabs needed for Hydro Computation + for (amrex::MFIter mfi(S_new, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + + const amrex::Box& bx = mfi.tilebox(); + const amrex::Box& qbx = amrex::grow(bx, NUM_GROW + nGrowF); + const amrex::Box& fbx = amrex::grow(bx, nGrowF); + const int* lo = bx.loVect(); + const int* hi = bx.hiVect(); + + amrex::GpuArray flux; + amrex::Elixir flux_eli[AMREX_SPACEDIM]; + for (int dir = 0; dir < AMREX_SPACEDIM; ++dir) { + const amrex::Box& efbx = surroundingNodes(fbx, dir); + flux[dir].resize(efbx, NVAR); + flux_eli[dir] = flux[dir].elixir(); + } + + auto const& s = S.array(mfi); + auto const& hyd_src = hydro_source.array(mfi); + + // Resize Temporary Fabs + amrex::FArrayBox q(qbx, QVAR), qaux(qbx, NQAUX), src_q(qbx, QVAR); + // Use Elixir Construct to steal the Fabs metadata + amrex::Elixir qeli = q.elixir(); + amrex::Elixir qauxeli = qaux.elixir(); + amrex::Elixir src_qeli = src_q.elixir(); + // Get Arrays to pass to the gpu. + auto const& qarr = q.array(); + auto const& qauxar = qaux.array(); + auto const& srcqarr = src_q.array(); + + BL_PROFILE_VAR("PeleC::ctoprim()", ctop); + amrex::ParallelFor( + qbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_ctoprim(i, j, k, s, qarr, qauxar); + }); + BL_PROFILE_VAR_STOP(ctop); + + // TODO GPUize NCSCBC + // Imposing Ghost-Cells Navier-Stokes Characteristic BCs if "UserBC" are + // used For the theory, see Motheau et al. AIAA J. Vol. 55, No. 10 : pp. + // 3399-3408, 2017. + // + // The user should provide a bcnormal routine in bc_fill_module with + // additional optional arguments to temporary fill ghost-cells for + // EXT_DIR and to provide target BC values. See the examples. + + // Allocate fabs for bcMask. Note that we grow in the opposite direction + // because the Riemann solver wants a face value in a ghost-cell +#if 0 + for (int dir = 0; dir < AMREX_SPACEDIM ; dir++) { + const Box& bxtmp = amrex::surroundingNodes(fbx,dir); + Box TestBox(bxtmp); + for(int d=0; d, AMREX_SPACEDIM> + flx_arr{ + AMREX_D_DECL(flux[0].array(), flux[1].array(), flux[2].array())}; + const amrex::GpuArray< + const amrex::Array4, AMREX_SPACEDIM> + a{AMREX_D_DECL( + area[0].array(mfi), area[1].array(mfi), area[2].array(mfi))}; + pc_umdrv( + is_finest_level, time, bx, domain_lo, domain_hi, phys_bc.lo(), + phys_bc.hi(), s, hyd_src, qarr, qauxar, srcqarr, dx, dt, flx_arr, a, + volume.array(mfi), cflLoc); + BL_PROFILE_VAR_STOP(purm); + + BL_PROFILE_VAR("courno + flux reg", crno); + courno = amrex::max(courno, cflLoc); + + // Filter hydro source and fluxes here + if (use_explicit_filter) { + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + const amrex::Box& bxtmp = amrex::surroundingNodes(bx, dir); + amrex::FArrayBox filtered_flux(bxtmp, NVAR); + amrex::Elixir filtered_flux_eli = filtered_flux.elixir(); + les_filter.apply_filter( + bxtmp, flux[dir], filtered_flux, Density, NVAR); + + setV(bxtmp, flux[dir].nComp(), flx_arr[dir], 0.0); + copy_array4( + bxtmp, flux[dir].nComp(), filtered_flux.array(), flx_arr[dir]); + } + + amrex::FArrayBox filtered_source_out(bx, NVAR); + amrex::Elixir filtered_source_out_eli = filtered_source_out.elixir(); + les_filter.apply_filter( + bx, hydro_source[mfi], filtered_source_out, Density, NVAR); + + setV(bx, hyd_src.nComp(), hyd_src, 0.0); + copy_array4( + bx, hyd_src.nComp(), filtered_source_out.array(), hyd_src); + } + + if (do_reflux && sub_iteration == sub_ncycle - 1) { + if (level < finest_level) { + getFluxReg(level + 1).CrseAdd( + mfi, {AMREX_D_DECL(&(flux[0]), &(flux[1]), &(flux[2]))}, dxDp, dt, + device); + + if (!amrex::DefaultGeometry().IsCartesian()) { + amrex::Abort("Flux registers not r-z compatible yet"); + // getPresReg(level+1).CrseAdd(mfi,pradial, dx,dt); + } + } + + if (level > 0) { + getFluxReg(level).FineAdd( + mfi, {AMREX_D_DECL(&(flux[0]), &(flux[1]), &(flux[2]))}, dxDp, dt, + device); + + if (!amrex::DefaultGeometry().IsCartesian()) { + amrex::Abort("Flux registers not r-z compatible yet"); + // getPresReg(level).FineAdd(mfi,pradial, dx,dt); + } + } + } + BL_PROFILE_VAR_STOP(crno); + } // MFIter loop + } // end of OMP parallel region + + BL_PROFILE_VAR_STOP(PC_UMDRV); + + if (track_grid_losses) { + material_lost_through_boundary_temp[0] += mass_lost; + material_lost_through_boundary_temp[1] += xmom_lost; + material_lost_through_boundary_temp[2] += ymom_lost; + material_lost_through_boundary_temp[3] += zmom_lost; + material_lost_through_boundary_temp[4] += eden_lost; + material_lost_through_boundary_temp[5] += xang_lost; + material_lost_through_boundary_temp[6] += yang_lost; + material_lost_through_boundary_temp[7] += zang_lost; + } + + if (print_energy_diagnostics) { + amrex::Real foo[5] = { + E_added_flux, xmom_added_flux, ymom_added_flux, zmom_added_flux, + mass_added_flux}; + +#ifdef AMREX_LAZY + Lazy::QueueReduction([=]() mutable { +#endif + amrex::ParallelDescriptor::ReduceRealSum( + foo, 5, amrex::ParallelDescriptor::IOProcessorNumber()); + + if (amrex::ParallelDescriptor::IOProcessor()) { + E_added_flux = foo[0]; + xmom_added_flux = foo[1]; + ymom_added_flux = foo[2]; + zmom_added_flux = foo[3]; + mass_added_flux = foo[4]; +#ifdef AMREX_DEBUG + amrex::Print() << "mass added from fluxes : " + << mass_added_flux << std::endl; + amrex::Print() << "xmom added from fluxes : " + << xmom_added_flux << std::endl; + amrex::Print() << "ymom added from fluxes : " + << ymom_added_flux << std::endl; + amrex::Print() << "zmom added from fluxes : " + << zmom_added_flux << std::endl; + amrex::Print() << "(rho E) added from fluxes : " + << E_added_flux << std::endl; +#endif + } +#ifdef AMREX_LAZY + }); +#endif + } + + if (courno > 1.0) { + amrex::Print() << "WARNING -- EFFECTIVE CFL AT THIS LEVEL " << level + << " IS " << courno << '\n'; + if (hard_cfl_limit == 1) + amrex::Abort("CFL is too high at this level -- go back to a checkpoint " + "and restart with lower cfl number"); + } + } +} + +void +pc_umdrv( + const int is_finest_level, + const amrex::Real time, + amrex::Box const& bx, + const int* domlo, + const int* domhi, + const int* bclo, + const int* bchi, + amrex::Array4 const& uin, + amrex::Array4 const& uout, + amrex::Array4 const& q, + amrex::Array4 const& qaux, + amrex::Array4 const& + src_q, // amrex::IArrayBox const& bcMask, + const amrex::Real* dx, + const amrex::Real dt, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + amrex::Array4 const& vol, + amrex::Real cflLoc) +{ + // Set Up for Hydro Flux Calculations + auto const& bxg2 = grow(bx, 2); + amrex::FArrayBox qec[AMREX_SPACEDIM]; + amrex::Elixir qec_eli[AMREX_SPACEDIM]; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + const amrex::Box eboxes = amrex::surroundingNodes(bxg2, dir); + qec[dir].resize(eboxes, NGDNV); + qec_eli[dir] = qec[dir].elixir(); + } + amrex::GpuArray, AMREX_SPACEDIM> qec_arr{ + AMREX_D_DECL(qec[0].array(), qec[1].array(), qec[2].array())}; + + // Temporary FArrayBoxes + amrex::FArrayBox divu(bxg2, 1); + amrex::FArrayBox pdivu(bx, 1); + amrex::Elixir divueli = divu.elixir(); + amrex::Elixir pdiveli = pdivu.elixir(); + auto const& divarr = divu.array(); + auto const& pdivuarr = pdivu.array(); + + BL_PROFILE_VAR("PeleC::umeth()", umeth); +#if AMREX_SPACEDIM == 1 + amrex::Abort("PLM isn't implemented in 1D."); + // pc_umeth_1D( + // bx, bclo, bchi, domlo, domhi, q, qaux, src_q, // bcMask, + // flx[0], qec_arr[0], a[0], pdivuarr, vol, dx, dt); +#elif AMREX_SPACEDIM == 2 + pc_umeth_2D( + bx, bclo, bchi, domlo, domhi, q, qaux, src_q, // bcMask, + flx[0], flx[1], qec_arr[0], qec_arr[1], a[0], a[1], pdivuarr, vol, dx, dt); +#elif AMREX_SPACEDIM == 3 + pc_umeth_3D( + bx, bclo, bchi, domlo, domhi, q, qaux, src_q, // bcMask, + flx[0], flx[1], flx[2], qec_arr[0], qec_arr[1], qec_arr[2], a[0], a[1], + a[2], pdivuarr, vol, dx, dt); +#endif + BL_PROFILE_VAR_STOP(umeth); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + qec_eli[dir].clear(); + } + + // divu + AMREX_D_TERM(const amrex::Real dx0 = dx[0];, const amrex::Real dx1 = dx[1]; + , const amrex::Real dx2 = dx[2];); + amrex::ParallelFor(bxg2, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_divu(i, j, k, q, AMREX_D_DECL(dx0, dx1, dx2), divarr); + }); + + // consup + amrex::Real difmag = 0.1; + pc_consup(bx, uin, uout, flx, a, vol, divarr, pdivuarr, dx, difmag); +} + +void +pc_consup( + amrex::Box const& bx, + amrex::Array4 const& u, + amrex::Array4 const& update, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + amrex::Array4 const& vol, + amrex::Array4 const& div, + amrex::Array4 const& pdivu, + amrex::Real const* del, + amrex::Real const difmag) +{ + // Flux alterations + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + amrex::Box const& fbx = surroundingNodes(bx, dir); + const amrex::Real dx = del[dir]; + amrex::ParallelFor(fbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_artif_visc(i, j, k, flx[dir], div, u, dx, difmag, dir); + // Normalize Species Flux + pc_norm_spec_flx(i, j, k, flx[dir]); + // Make flux extensive + pc_ext_flx(i, j, k, flx[dir], a[dir]); + }); + } + + // Combine for Hydro Sources + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_update(i, j, k, update, flx, vol, pdivu); + }); +} diff --git a/SourceCpp/IO.H b/SourceCpp/IO.H new file mode 100644 index 000000000..90e975064 --- /dev/null +++ b/SourceCpp/IO.H @@ -0,0 +1,4 @@ +#ifndef _IO_H_ +#define _IO_H_ +extern std::string inputs_name; +#endif diff --git a/SourceCpp/IO.cpp b/SourceCpp/IO.cpp new file mode 100644 index 000000000..ed50b2960 --- /dev/null +++ b/SourceCpp/IO.cpp @@ -0,0 +1,1178 @@ +#include +#include +#include +#include + +#ifdef _OPENMP +#include +#endif + +#include +#include +#include +#ifdef PELEC_USE_EB +#include +#endif + +#ifdef PELEC_USE_REACTIONS +#include "chemistry_file.H" +#endif +#include "mechanism.h" + +#include "PeleC.H" +#include "IO.H" +#include "IndexDefines.H" + +// PeleC maintains an internal checkpoint version numbering system. +// This allows us to maintain backwards compatibility with checkpoints +// generated by old versions of the code, so that new versions can +// restart from them. The version number is stored in the PeleCHeader +// file inside a checkpoint. The following were the changes that were made +// in updating version numbers: +// 0: all checkpoints as of 11/21/16 +// 1: add body state + +namespace { +int input_version = -1; +int current_version = 1; +std::string body_state_filename = "body_state.fab"; +amrex::Real vfraceps = 0.000001; +} // namespace + +// I/O routines for PeleC + +void +PeleC::restart(amrex::Amr& papa, istream& is, bool bReadSpecial) +{ + // Let's check PeleC checkpoint version first; + // trying to read from checkpoint; if nonexisting, set it to 0. + if (input_version == -1) { + if (amrex::ParallelDescriptor::IOProcessor()) { + std::ifstream PeleCHeaderFile; + std::string FullPathPeleCHeaderFile = papa.theRestartFile(); + FullPathPeleCHeaderFile += "/PeleCHeader"; + PeleCHeaderFile.open(FullPathPeleCHeaderFile.c_str(), std::ios::in); + if (PeleCHeaderFile.good()) { + char foo[256]; + // first line: Checkpoint version: ? + PeleCHeaderFile.getline(foo, 256, ':'); + PeleCHeaderFile >> input_version; + PeleCHeaderFile.close(); + } else { + input_version = 0; + } + } + amrex::ParallelDescriptor::Bcast( + &input_version, 1, amrex::ParallelDescriptor::IOProcessorNumber()); + } + + AMREX_ASSERT(input_version >= 0); + + // also need to mod checkPoint function to store the new version in a text + // file + AmrLevel::restart(papa, is, bReadSpecial); + + /* + Deal here with new state descriptor types added, with corresponding + input_version > 0, if applicable + */ + amrex::Vector state_in_checkpoint(desc_lst.size(), 1); + set_state_in_checkpoint(state_in_checkpoint); + for (int i = 0; i < desc_lst.size(); ++i) { + if (state_in_checkpoint[i] == 0) { + const amrex::Real ctime = state[i - 1].curTime(); + state[i].define( + geom.Domain(), grids, dmap, desc_lst[i], ctime, parent->dtLevel(level), + *m_factory); + state[i] = state[i - 1]; + } + } + buildMetrics(); + +#ifdef PELEC_USE_EB + init_eb(geom, grids, dmap); +#endif + + amrex::MultiFab& S_new = get_new_data(State_Type); + + for (int n = 0; n < src_list.size(); ++n) { + int oldGrow = NUM_GROW; + int newGrow = S_new.nGrow(); +#ifdef AMREX_PARTICLES + if (src_list[n] == spray_src) { + oldGrow = 1; + newGrow = 1; + } +#endif + old_sources[src_list[n]] = + std::unique_ptr(new amrex::MultiFab( + grids, dmap, NVAR, oldGrow, amrex::MFInfo(), Factory())); + new_sources[src_list[n]] = + std::unique_ptr(new amrex::MultiFab( + grids, dmap, NVAR, newGrow, amrex::MFInfo(), Factory())); + } + + if (do_hydro) { + Sborder.define(grids, dmap, NVAR, NUM_GROW, amrex::MFInfo(), Factory()); + } else if (do_diffuse) { + Sborder.define(grids, dmap, NVAR, nGrowTr, amrex::MFInfo(), Factory()); + } + + if (!do_mol) { + if (do_hydro) { + hydro_source.define(grids, dmap, NVAR, 0, amrex::MFInfo(), Factory()); + + // This array holds the sum of all source terms that affect the + // hydrodynamics. If we are doing the source term predictor, we'll also + // use this after the hydro update to store the sum of the new-time + // sources, so that we can compute the time derivative of the source + // terms. + sources_for_hydro.define( + grids, dmap, NVAR, NUM_GROW, amrex::MFInfo(), Factory()); + } + } else { + Sborder.define(grids, dmap, NVAR, nGrowTr, amrex::MFInfo(), Factory()); + } + + // get the elapsed CPU time to now; + if (level == 0 && amrex::ParallelDescriptor::IOProcessor()) { + // get elapsed CPU time + std::ifstream CPUFile; + std::string FullPathCPUFile = parent->theRestartFile(); + FullPathCPUFile += "/CPUtime"; + CPUFile.open(FullPathCPUFile.c_str(), std::ios::in); + + CPUFile >> previousCPUTimeUsed; + CPUFile.close(); + + amrex::Print() << "read CPU time: " << previousCPUTimeUsed << "\n"; + } + + if (track_grid_losses && level == 0) { + + // get the current value of the diagnostic quantities + std::ifstream DiagFile; + std::string FullPathDiagFile = parent->theRestartFile(); + FullPathDiagFile += "/Diagnostics"; + DiagFile.open(FullPathDiagFile.c_str(), std::ios::in); + + for (int i = 0; i < n_lost; i++) + DiagFile >> material_lost_through_boundary_cumulative[i]; + + DiagFile.close(); + } + + /*Not implemented for CUDA + if (level == 0) + { + // get problem-specific stuff -- note all processors do this, + // eliminating the need for a broadcast + std::string dir = parent->theRestartFile(); + + char * dir_for_pass = new char[dir.size() + 1]; + std::copy(dir.begin(), dir.end(), dir_for_pass); + dir_for_pass[dir.size()] = '\0'; + + int len = dir.size(); + + Vector int_dir_name(len); + for (int j = 0; j < len; j++) + int_dir_name[j] = (int) dir_for_pass[j]; + + AMREX_FORT_PROC_CALL(PROBLEM_RESTART,problem_restart)(int_dir_name.dataPtr(), + &len); + + delete [] dir_for_pass; + + }*/ + + if (level > 0 && do_reflux) { + flux_reg.define( + grids, papa.boxArray(level - 1), dmap, papa.DistributionMap(level - 1), + geom, papa.Geom(level - 1), papa.refRatio(level - 1), level, NVAR); + + if (!amrex::DefaultGeometry().IsCartesian()) { + pres_reg.define( + grids, papa.boxArray(level - 1), dmap, papa.DistributionMap(level - 1), + geom, papa.Geom(level - 1), papa.refRatio(level - 1), level, 1); + } + } + +#ifdef PELEC_USE_EB + if (input_version > 0 && level == 0 && eb_in_domain) { + if (amrex::ParallelDescriptor::IOProcessor()) { + std::ifstream BodyFile; + std::string FullPathBodyFile = parent->theRestartFile(); + FullPathBodyFile += "/" + body_state_filename; + BodyFile.open(FullPathBodyFile.c_str(), std::ios::in); + amrex::FArrayBox bstate_fab; + bstate_fab.readFrom(BodyFile); + BodyFile.close(); + if (bstate_fab.nComp() != NVAR) + amrex::Abort("Body state incompatible with checkpointed version"); + amrex::IntVect iv(bstate_fab.box().smallEnd()); + for (int n = 0; n < NVAR; ++n) { + body_state[n] = bstate_fab(iv, n); + } + } + amrex::ParallelDescriptor::Bcast( + &(body_state[0]), body_state.size(), + amrex::ParallelDescriptor::IOProcessorNumber()); + body_state_set = true; + } +#endif +} + +void +PeleC::set_state_in_checkpoint(amrex::Vector& state_in_checkpoint) +{ + for (int i = 0; i < num_state_type; ++i) { + state_in_checkpoint[i] = 1; + + if (i == Work_Estimate_Type) { + state_in_checkpoint[i] = 0; + } + } +} + +void +PeleC::checkPoint( + const std::string& dir, + std::ostream& os, + amrex::VisMF::How how, + bool dump_old_default) +{ + amrex::AmrLevel::checkPoint(dir, os, how, dump_old); + +#ifdef AMREX_PARTICLES + bool is_checkpoint = true; + + amrex::Vector real_comp_names(pstateNum); + AMREX_D_TERM(real_comp_names[pstateVel] = "xvel"; + , real_comp_names[pstateVel + 1] = "yvel"; + , real_comp_names[pstateVel + 2] = "zvel";); + real_comp_names[pstateT] = "temperature"; + real_comp_names[pstateDia] = "diam"; + real_comp_names[pstateRho] = "density"; + for (int sp = 0; sp != SPRAY_FUEL_NUM; ++sp) { + real_comp_names[pstateY + sp] = "spray_mf_" + PeleC::sprayFuelNames[sp]; + } + amrex::Vector int_comp_names; + if (PeleC::theSprayPC()) { + PeleC::theSprayPC()->Checkpoint( + dir, "particles", is_checkpoint, real_comp_names, int_comp_names); + } +#endif + + if (level == 0 && amrex::ParallelDescriptor::IOProcessor()) { + { + std::ofstream PeleCHeaderFile; + std::string FullPathPeleCHeaderFile = dir; + FullPathPeleCHeaderFile += "/PeleCHeader"; + PeleCHeaderFile.open(FullPathPeleCHeaderFile.c_str(), std::ios::out); + + PeleCHeaderFile << "Checkpoint version: " << current_version << std::endl; + PeleCHeaderFile.close(); + } + + { + // store elapsed CPU time + std::ofstream CPUFile; + std::string FullPathCPUFile = dir; + FullPathCPUFile += "/CPUtime"; + CPUFile.open(FullPathCPUFile.c_str(), std::ios::out); + + CPUFile << std::setprecision(15) << getCPUTime(); + CPUFile.close(); + } + + if (track_grid_losses) { + + // store diagnostic quantities + std::ofstream DiagFile; + std::string FullPathDiagFile = dir; + FullPathDiagFile += "/Diagnostics"; + DiagFile.open(FullPathDiagFile.c_str(), std::ios::out); + + for (int i = 0; i < n_lost; i++) + DiagFile << std::setprecision(15) + << material_lost_through_boundary_cumulative[i] << std::endl; + + DiagFile.close(); + } + + /*Not implemented for CUDA{ + // store any problem-specific stuff + char * dir_for_pass = new char[dir.size() + 1]; + std::copy(dir.begin(), dir.end(), dir_for_pass); + dir_for_pass[dir.size()] = '\0'; + + int len = dir.size(); + + Vector int_dir_name(len); + for (int j = 0; j < len; j++) + int_dir_name[j] = (int) dir_for_pass[j]; + + AMREX_FORT_PROC_CALL(PROBLEM_CHECKPOINT,problem_checkpoint)(int_dir_name.dataPtr(), + &len); + + delete [] dir_for_pass; + }*/ + } + +#ifdef PELEC_USE_EB + if (current_version > 0) { + if (amrex::ParallelDescriptor::IOProcessor() && eb_in_domain) { + amrex::IntVect iv(AMREX_D_DECL(0, 0, 0)); + amrex::FArrayBox bstate_fab(amrex::Box(iv, iv), NVAR); + for (int n = 0; n < NVAR; ++n) { + bstate_fab(iv, n) = body_state[n]; + } + + std::ofstream BodyFile; + std::string FullPathBodyFile = dir; + FullPathBodyFile += "/" + body_state_filename; + BodyFile.open(FullPathBodyFile.c_str(), std::ios::out); + bstate_fab.writeOn(BodyFile); + BodyFile.close(); + } + } +#endif +} + +std::string +PeleC::thePlotFileType() const +{ + // + // Increment this whenever the writePlotFile() format changes. + // +#ifdef PELEC_USE_EB + static const std::string the_plot_file_type = + eb_in_domain ? "HyperClaw-V1.1" : "CartGrid-V2.0"; +#else + static const std::string the_plot_file_type = "CartGrid-V2.0"; +#endif + + return the_plot_file_type; +} + +void +PeleC::setPlotVariables() +{ + amrex::AmrLevel::setPlotVariables(); + + amrex::ParmParse pp("pelec"); + +#ifdef PELEC_USE_EB + bool plot_vfrac = eb_in_domain; + pp.query("plot_vfrac ", plot_vfrac); + if (plot_vfrac) { + parent->addDerivePlotVar("vfrac"); + } else if (parent->isDerivePlotVar("vfrac")) { + parent->deleteDerivePlotVar("vfrac"); + } +#endif + bool plot_cost = true; + pp.query("plot_cost", plot_cost); + if (plot_cost) { + parent->addDerivePlotVar("WorkEstimate"); + } + + bool plot_rhoy = true; + pp.query("plot_rhoy", plot_rhoy); + if (!plot_rhoy) { + for (int i = 0; i < NUM_SPECIES; i++) { + parent->deleteStatePlotVar(desc_lst[State_Type].name(FirstSpec + i)); + } + } + + bool plot_massfrac = false; + pp.query("plot_massfrac", plot_massfrac); + // if (plot_massfrac) + // { + // if (plot_massfrac) + // { + // // + // // Get the species names from the network model. + // // + // for (int i = 0; i < NUM_SPECIES; i++) + // { + // int len = 20; + // Vector int_spec_names(len); + // // This call return the actual length of each string in "len" + // get_spec_names(int_spec_names.dataPtr(),&i,&len); + // char* spec_name = new char[len+1]; + // for (int j = 0; j < len; j++) + // spec_name[j] = int_spec_names[j]; + // spec_name[len] = '\0'; + // string spec_string = "Y("; + // spec_string += spec_name; + // spec_string += ')'; + // parent->addDerivePlotVar(spec_string); + // delete [] spec_name; + // } + // } + // } + + if (plot_massfrac) { + parent->addDerivePlotVar("massfrac"); + } else { + parent->deleteDerivePlotVar("massfrac"); + } + + bool plot_moleFrac = false; + pp.query("plot_molefrac", plot_moleFrac); + if (plot_moleFrac) { + parent->addDerivePlotVar("molefrac"); + } else { + parent->deleteDerivePlotVar("molefrac"); + } +} + +void +PeleC::writeJobInfo(const std::string& dir) +{ + // job_info file with details about the run + std::ofstream jobInfoFile; + std::string FullPathJobInfoFile = dir; + FullPathJobInfoFile += "/job_info"; + jobInfoFile.open(FullPathJobInfoFile.c_str(), std::ios::out); + + std::string PrettyLine = "===================================================" + "============================\n"; + std::string OtherLine = "----------------------------------------------------" + "----------------------------\n"; + std::string SkipSpace = " "; + + // job information + jobInfoFile << PrettyLine; + jobInfoFile << " PeleC Job Information\n"; + jobInfoFile << PrettyLine; + + jobInfoFile << "job name: " << job_name << "\n\n"; + jobInfoFile << "inputs file: " << inputs_name << "\n\n"; + + jobInfoFile << "number of MPI processes: " + << amrex::ParallelDescriptor::NProcs() << "\n"; +#ifdef _OPENMP + jobInfoFile << "number of threads: " << omp_get_max_threads() << "\n"; +#endif + + jobInfoFile << "\n"; + jobInfoFile << "CPU time used since start of simulation (CPU-hours): " + << getCPUTime() / 3600.0; + + jobInfoFile << "\n\n"; + + // plotfile information + jobInfoFile << PrettyLine; + jobInfoFile << " Plotfile Information\n"; + jobInfoFile << PrettyLine; + + time_t now = time(0); + + // Convert now to tm struct for local timezone + tm* localtm = localtime(&now); + jobInfoFile << "output data / time: " << asctime(localtm); + + std::string currentDir = amrex::FileSystem::CurrentPath(); + jobInfoFile << "output dir: " << currentDir << "\n"; + + jobInfoFile << "\n\n"; + + // build information + jobInfoFile << PrettyLine; + jobInfoFile << " Build Information\n"; + jobInfoFile << PrettyLine; + + jobInfoFile << "build date: " << amrex::buildInfoGetBuildDate() << "\n"; + jobInfoFile << "build machine: " << amrex::buildInfoGetBuildMachine() << "\n"; + jobInfoFile << "build dir: " << amrex::buildInfoGetBuildDir() << "\n"; + jobInfoFile << "AMReX dir: " << amrex::buildInfoGetAMReXDir() << "\n"; + + jobInfoFile << "\n"; + + jobInfoFile << "COMP: " << amrex::buildInfoGetComp() << "\n"; + jobInfoFile << "COMP version: " << amrex::buildInfoGetCompVersion() << "\n"; + jobInfoFile << "FCOMP: " << amrex::buildInfoGetFcomp() << "\n"; + jobInfoFile << "FCOMP version: " << amrex::buildInfoGetFcompVersion() << "\n"; + + jobInfoFile << "\n"; + + for (int n = 1; n <= amrex::buildInfoGetNumModules(); n++) { + jobInfoFile << amrex::buildInfoGetModuleName(n) << ": " + << amrex::buildInfoGetModuleVal(n) << "\n"; + } + + jobInfoFile << "\n"; + + const char* githash1 = amrex::buildInfoGetGitHash(1); + const char* githash2 = amrex::buildInfoGetGitHash(2); + const char* githash3 = amrex::buildInfoGetGitHash(3); + if (strlen(githash1) > 0) { + jobInfoFile << "PeleC git hash: " << githash1 << "\n"; + } + if (strlen(githash2) > 0) { + jobInfoFile << "AMReX git hash: " << githash2 << "\n"; + } + if (strlen(githash3) > 0) { + jobInfoFile << "PelePhysics git hash: " << githash3 << "\n"; + } + + const char* buildgithash = amrex::buildInfoGetBuildGitHash(); + const char* buildgitname = amrex::buildInfoGetBuildGitName(); + if (strlen(buildgithash) > 0) { + jobInfoFile << buildgitname << " git hash: " << buildgithash << "\n"; + } + + jobInfoFile << "\n\n"; + + // grid information + jobInfoFile << PrettyLine; + jobInfoFile << " Grid Information\n"; + jobInfoFile << PrettyLine; + + int f_lev = parent->finestLevel(); + + for (int i = 0; i <= f_lev; i++) { + jobInfoFile << " level: " << i << "\n"; + jobInfoFile << " number of boxes = " << parent->numGrids(i) << "\n"; + jobInfoFile << " maximum zones = "; + for (int n = 0; n < AMREX_SPACEDIM; n++) { + jobInfoFile << parent->Geom(i).Domain().length(n) << " "; + // jobInfoFile << parent->Geom(i).ProbHi(n) << " "; + } + jobInfoFile << "\n\n"; + } + + jobInfoFile << " Boundary conditions\n"; + amrex::Vector lo_bc_out(AMREX_SPACEDIM); + amrex::Vector hi_bc_out(AMREX_SPACEDIM); + amrex::ParmParse pp("pelec"); + pp.getarr("lo_bc", lo_bc_out, 0, AMREX_SPACEDIM); + pp.getarr("hi_bc", hi_bc_out, 0, AMREX_SPACEDIM); + + // these names correspond to the integer flags setup in the + // Setup.cpp + + jobInfoFile << " -x: " << lo_bc_out[0] << "\n"; + jobInfoFile << " +x: " << hi_bc_out[0] << "\n"; + if (AMREX_SPACEDIM >= 2) { + jobInfoFile << " -y: " << lo_bc_out[1] << "\n"; + jobInfoFile << " +y: " << hi_bc_out[1] << "\n"; + } + if (AMREX_SPACEDIM == 3) { + jobInfoFile << " -z: " << lo_bc_out[2] << "\n"; + jobInfoFile << " +z: " << hi_bc_out[2] << "\n"; + } + + jobInfoFile << "\n\n"; + + int mlen = 20; + + jobInfoFile << PrettyLine; + jobInfoFile << " Species Information\n"; + jobInfoFile << PrettyLine; + + jobInfoFile << std::setw(6) << "index" << SkipSpace << std::setw(mlen + 1) + << "name" << SkipSpace << std::setw(7) << "A" << SkipSpace + << std::setw(7) << "Z" + << "\n"; + jobInfoFile << OtherLine; + /* Why is this here? It creates spec_name and deletes it? + int len = mlen; + amrex::Vector int_spec_names(len * NUM_SPECIES); + CKSYMS(int_spec_names.dataPtr(),&len); + for (int i = 0; i < NUM_SPECIES; i++) { + int j = 0; + char* spec_name = new char[len]; + for (j = 0; j < len; j++) { + spec_name[j] = int_spec_names[i*len + j]; + if (spec_name[j] == ' ') + break; + } + spec_name[len] = '\0'; + delete [] spec_name; + } + */ + jobInfoFile << "\n\n"; + + // runtime parameters + jobInfoFile << PrettyLine; + jobInfoFile << " Inputs File Parameters\n"; + jobInfoFile << PrettyLine; + + amrex::ParmParse::dumpTable(jobInfoFile, true); + jobInfoFile.close(); +} + +/* + * PeleC::writeBuildInfo + * Similar to writeJobInfo, but the subset of information that makes sense + * without an input file to enable --describe in format similar to CASTRO + * + */ + +void +PeleC::writeBuildInfo(std::ostream& os) +{ + std::string PrettyLine = std::string(78, '=') + "\n"; + std::string OtherLine = std::string(78, '-') + "\n"; + std::string SkipSpace = std::string(8, ' '); + + // build information + os << PrettyLine; + os << " PeleC Build Information\n"; + os << PrettyLine; + + os << "build date: " << amrex::buildInfoGetBuildDate() << "\n"; + os << "build machine: " << amrex::buildInfoGetBuildMachine() << "\n"; + os << "build dir: " << amrex::buildInfoGetBuildDir() << "\n"; + os << "AMReX dir: " << amrex::buildInfoGetAMReXDir() << "\n"; + + os << "\n"; + + os << "COMP: " << amrex::buildInfoGetComp() << "\n"; + os << "COMP version: " << amrex::buildInfoGetCompVersion() << "\n"; + + amrex::Print() << "C++ compiler: " << amrex::buildInfoGetCXXName() << "\n"; + amrex::Print() << "C++ flags: " << amrex::buildInfoGetCXXFlags() << "\n"; + + os << "\n"; + + os << "FCOMP: " << amrex::buildInfoGetFcomp() << "\n"; + os << "FCOMP version: " << amrex::buildInfoGetFcompVersion() << "\n"; + + os << "\n"; + + amrex::Print() << "Link flags: " << amrex::buildInfoGetLinkFlags() << "\n"; + amrex::Print() << "Libraries: " << amrex::buildInfoGetLibraries() << "\n"; + + os << "\n"; + + for (int n = 1; n <= amrex::buildInfoGetNumModules(); n++) { + os << amrex::buildInfoGetModuleName(n) << ": " + << amrex::buildInfoGetModuleVal(n) << "\n"; + } + + os << "\n"; + const char* githash1 = amrex::buildInfoGetGitHash(1); + const char* githash2 = amrex::buildInfoGetGitHash(2); + const char* githash3 = amrex::buildInfoGetGitHash(3); + if (strlen(githash1) > 0) { + os << "PeleC git hash: " << githash1 << "\n"; + } + if (strlen(githash2) > 0) { + os << "AMReX git hash: " << githash2 << "\n"; + } + if (strlen(githash3) > 0) { + os << "PelePhysics git hash: " << githash3 << "\n"; + } + + const char* buildgithash = amrex::buildInfoGetBuildGitHash(); + const char* buildgitname = amrex::buildInfoGetBuildGitName(); + if (strlen(buildgithash) > 0) { + os << buildgitname << " git hash: " << buildgithash << "\n"; + } + + os << "\n"; + os << " PeleC Compile time variables: \n"; + +#ifdef PELEC_USE_REACTIONS + int mm, kk, ii, nfit; + CKINDX(&mm, &kk, &ii, &nfit); + os << std::setw(40) << std::left << "Number elements from chem cpp : " << mm + << std::endl; + os << std::setw(40) << std::left << "Number species from chem cpp : " << kk + << std::endl; + os << std::setw(40) << std::left << "Number reactions from chem cpp : " << ii + << std::endl; +#endif + + os << "\n"; + os << " PeleC Defines: \n"; +#ifdef _OPENMP + os << std::setw(35) << std::left << "_OPENMP " << std::setw(6) << "ON" + << std::endl; +#else + os << std::setw(35) << std::left << "_OPENMP " << std::setw(6) << "OFF" + << std::endl; +#endif + +#ifdef MPI_VERSION + os << std::setw(35) << std::left << "MPI_VERSION " << std::setw(6) + << MPI_VERSION << std::endl; +#else + os << std::setw(35) << std::left << "MPI_VERSION " << std::setw(6) + << "UNDEFINED" << std::endl; +#endif + +#ifdef MPI_SUBVERSION + os << std::setw(35) << std::left << "MPI_SUBVERSION " << std::setw(6) + << MPI_SUBVERSION << std::endl; +#else + os << std::setw(35) << std::left << "MPI_SUBVERSION " << std::setw(6) + << "UNDEFINED" << std::endl; +#endif + +#ifdef PELEC_USE_REACTIONS + os << std::setw(35) << std::left << "PELEC_USE_REACTIONS " << std::setw(6) + << "ON" << std::endl; +#else + os << std::setw(35) << std::left << "PELEC_USE_REACTIONS " << std::setw(6) + << "OFF" << std::endl; +#endif +#ifdef NUM_ADV + os << std::setw(35) << std::left << "NUM_ADV=" << NUM_ADV << std::endl; +#else + os << std::setw(35) << std::left << "NUM_ADV" + << "is undefined (0)" << std::endl; +#endif + +#ifdef PELEC_USE_EB + os << std::setw(35) << std::left << "PELEC_USE_EB " << std::setw(6) << "ON" + << std::endl; +#else + os << std::setw(35) << std::left << "PELEC_USE_EB " << std::setw(6) << "OFF" + << std::endl; +#endif + +#ifdef PELEC_USE_MASA + os << std::setw(35) << std::left << "PELEC_USE_MASA " << std::setw(6) << "ON" + << std::endl; +#else + os << std::setw(35) << std::left << "PELEC_USE_MASA " << std::setw(6) << "OFF" + << std::endl; +#endif + +#ifdef PELEC_USE_EB + os << std::setw(35) << std::left << "PELEC_USE_EB " << std::setw(6) << "ON" + << std::endl; +#else + os << std::setw(35) << std::left << "PELEC_USE_EB " << std::setw(6) << "OFF" + << std::endl; +#endif + +#ifdef AMREX_PARTICLES + os << std::setw(35) << std::left << "AMREX_PARTICLES " << std::setw(6) << "ON" + << std::endl; +#else + os << std::setw(35) << std::left << "AMREX_PARTICLES " << std::setw(6) + << "OFF" << std::endl; +#endif + +#ifdef DO_PROBLEM_POST_TIMESTEP + os << std::setw(35) << std::left << "DO_PROBLEM_POST_TIMESTEP " + << std::setw(6) << "ON" << std::endl; +#else + os << std::setw(35) << std::left << "DO_PROBLEM_POST_TIMESTEP " + << std::setw(6) << "OFF" << std::endl; +#endif + +#ifdef DO_PROBLEM_POST_RESTART + os << std::setw(35) << std::left << "DO_PROBLEM_POST_RESTART " << std::setw(6) + << "ON" << std::endl; +#else + os << std::setw(35) << std::left << "DO_PROBLEM_POST_RESTART " << std::setw(6) + << "OFF" << std::endl; +#endif + +#ifdef DO_PROBLEM_POST_INIT + os << std::setw(35) << std::left << "DO_PROBLEM_POST_INIT " << std::setw(6) + << "ON" << std::endl; +#else + os << std::setw(35) << std::left << "DO_PROBLEM_POST_INIT " << std::setw(6) + << "OFF" << std::endl; +#endif + + os << "\n\n"; +} + +void +PeleC::writePlotFile(const std::string& dir, ostream& os, amrex::VisMF::How how) +{ + int i, n; + // + // The list of indices of State to write to plotfile. + // first component of pair is state_type, + // second component of pair is component # within the state_type + // + amrex::Vector> plot_var_map; + for (int typ = 0; typ < desc_lst.size(); typ++) + for (int comp = 0; comp < desc_lst[typ].nComp(); comp++) + if ( + parent->isStatePlotVar(desc_lst[typ].name(comp)) && + desc_lst[typ].getType() == amrex::IndexType::TheCellType()) + plot_var_map.push_back(std::pair(typ, comp)); + + int num_derive = 0; + std::list derive_names; + const std::list& dlist = derive_lst.dlist(); + + for (std::list::const_iterator it = dlist.begin(), + end = dlist.end(); + it != end; ++it) { + if (parent->isDerivePlotVar(it->name())) { +#ifdef AMREX_PARTICLES + if ( + it->name() == "particle_count" || + it->name() == "total_particle_count" || + it->name() == "particle_density") { + if (PeleC::theSprayPC()) { + derive_names.push_back(it->name()); + num_derive++; + } + } else +#endif + { + derive_names.push_back(it->name()); + num_derive += it->numDerive(); + } + } + } + + int n_data_items = plot_var_map.size() + num_derive; + + amrex::Real cur_time = state[State_Type].curTime(); + + if (level == 0 && amrex::ParallelDescriptor::IOProcessor()) { + // + // The first thing we write out is the plotfile type. + // + os << thePlotFileType() << '\n'; + + if (n_data_items == 0) + amrex::Error("Must specify at least one valid data item to plot"); + + os << n_data_items << '\n'; + + // + // Names of variables -- first state, then derived + // + for (i = 0; i < plot_var_map.size(); i++) { + int typ = plot_var_map[i].first; + int comp = plot_var_map[i].second; + os << desc_lst[typ].name(comp) << '\n'; + } + + for (std::list::const_iterator it = derive_names.begin(), + end = derive_names.end(); + it != end; ++it) { + const amrex::DeriveRec* rec = derive_lst.get(*it); + for (i = 0; i < rec->numDerive(); i++) + os << rec->variableName(i) << '\n'; + } + + os << AMREX_SPACEDIM << '\n'; + os << parent->cumTime() << '\n'; + int f_lev = parent->finestLevel(); + os << f_lev << '\n'; + for (i = 0; i < AMREX_SPACEDIM; i++) + os << amrex::DefaultGeometry().ProbLo(i) << ' '; + os << '\n'; + for (i = 0; i < AMREX_SPACEDIM; i++) + os << amrex::DefaultGeometry().ProbHi(i) << ' '; + os << '\n'; + for (i = 0; i < f_lev; i++) + os << parent->refRatio(i)[0] << ' '; + os << '\n'; + for (i = 0; i <= f_lev; i++) + os << parent->Geom(i).Domain() << ' '; + os << '\n'; + for (i = 0; i <= f_lev; i++) + os << parent->levelSteps(i) << ' '; + os << '\n'; + for (i = 0; i <= f_lev; i++) { + for (int k = 0; k < AMREX_SPACEDIM; k++) + os << parent->Geom(i).CellSize()[k] << ' '; + os << '\n'; + } + os << (int)amrex::DefaultGeometry().Coord() << '\n'; + os << "0\n"; // Write bndry data. + + writeJobInfo(dir); + } + // Build the directory to hold the MultiFab at this level. + // The name is relative to the directory containing the Header file. + // + static const std::string BaseName = "/Cell"; + char buf[64]; + sprintf(buf, "Level_%d", level); + std::string LevelStr = buf; + // + // Now for the full pathname of that directory. + // + std::string FullPath = dir; + if (!FullPath.empty() && FullPath[FullPath.size() - 1] != '/') + FullPath += '/'; + FullPath += LevelStr; + // + // Only the I/O processor makes the directory if it doesn't already exist. + // + if (amrex::ParallelDescriptor::IOProcessor()) + if (!amrex::UtilCreateDirectory(FullPath, 0755)) + amrex::CreateDirectoryFailed(FullPath); + // + // Force other processors to wait till directory is built. + // + amrex::ParallelDescriptor::Barrier(); + + if (amrex::ParallelDescriptor::IOProcessor()) { + os << level << ' ' << grids.size() << ' ' << cur_time << '\n'; + os << parent->levelSteps(level) << '\n'; + + for (i = 0; i < grids.size(); ++i) { + amrex::RealBox gridloc = + amrex::RealBox(grids[i], geom.CellSize(), geom.ProbLo()); + for (n = 0; n < AMREX_SPACEDIM; n++) + os << gridloc.lo(n) << ' ' << gridloc.hi(n) << '\n'; + } + // + // The full relative pathname of the MultiFabs at this level. + // The name is relative to the Header file containing this name. + // It's the name that gets written into the Header. + // + if (n_data_items > 0) { + std::string PathNameInHeader = LevelStr; + PathNameInHeader += BaseName; + os << PathNameInHeader << '\n'; + } + +#ifdef PELEC_USE_EB + if (eb_in_domain && level == parent->finestLevel()) { + os << vfraceps << '\n'; + } +#endif + } + // + // We combine all of the multifabs -- state, derived, etc -- into one + // multifab -- plotMF. + // NOTE: we are assuming that each state variable has one component, + // but a derived variable is allowed to have multiple components. + int cnt = 0; + int ncomp = 1; + const int nGrow = 0; + amrex::MultiFab plotMF( + grids, dmap, n_data_items, nGrow, amrex::MFInfo(), Factory()); + amrex::MultiFab* this_dat = 0; + // + // Cull data from state variables -- use no ghost cells. + // + for (i = 0; i < plot_var_map.size(); i++) { + int typ = plot_var_map[i].first; + int comp = plot_var_map[i].second; + this_dat = &state[typ].newData(); + amrex::MultiFab::Copy(plotMF, *this_dat, comp, cnt, 1, nGrow); + cnt++; + } + // + // Cull data from derived variables. + // + if (derive_names.size() > 0) { + + for (std::list::const_iterator it = derive_names.begin(), + end = derive_names.end(); + it != end; ++it) { + const amrex::DeriveRec* rec = derive_lst.get(*it); + ncomp = rec->numDerive(); + + auto derive_dat = derive(*it, cur_time, nGrow); + amrex::MultiFab::Copy(plotMF, *derive_dat, 0, cnt, ncomp, nGrow); + cnt += ncomp; + } + } + +#ifdef PELEC_USE_EB + // Prefer app-specific one + // amrex::EB_set_covered(plotMF); +#endif + + // + // Use the Full pathname when naming the MultiFab. + // + std::string TheFullPath = FullPath; + TheFullPath += BaseName; + amrex::VisMF::Write(plotMF, TheFullPath, how, true); +#ifdef AMREX_PARTICLES + bool is_checkpoint = false; + + if (PeleC::theSprayPC()) { + amrex::Vector real_comp_names(pstateNum); + AMREX_D_TERM(real_comp_names[pstateVel] = "xvel"; + , real_comp_names[pstateVel + 1] = "yvel"; + , real_comp_names[pstateVel + 2] = "zvel";); + real_comp_names[pstateT] = "temperature"; + real_comp_names[pstateDia] = "diam"; + real_comp_names[pstateRho] = "density"; + for (int sp = 0; sp != SPRAY_FUEL_NUM; ++sp) { + real_comp_names[pstateY + sp] = "spray_mf_" + PeleC::sprayFuelNames[sp]; + } + amrex::Vector int_comp_names; + if (PeleC::theSprayPC()) { + PeleC::theSprayPC()->Checkpoint( + dir, "particles", is_checkpoint, real_comp_names, int_comp_names); + if (level == 0) { + if (do_spray_particles == 1 && write_spray_ascii_files == 1) { + // TODO: Would be nice to be able to use file_name_digits + // instead of doing this + int strlen = dir.length(); + // Remove the ".temp" from the directory + std::string dirout = dir.substr(0, strlen - 5); + size_t num_start_loc = dirout.find_last_not_of("0123456789") + 1; + std::string fname = + "spray" + dirout.substr(num_start_loc, strlen) + ".p3d"; + theSprayPC()->WriteAsciiFile(fname); + } + } + } + } +#endif +} + +void +PeleC::writeSmallPlotFile( + const std::string& dir, ostream& os, amrex::VisMF::How how) +{ + int i, n; + // + // The list of indices of State to write to plotfile. + // first component of pair is state_type, + // second component of pair is component # within the state_type + // + amrex::Vector> plot_var_map; + for (int typ = 0; typ < desc_lst.size(); typ++) + for (int comp = 0; comp < desc_lst[typ].nComp(); comp++) + if ( + parent->isStateSmallPlotVar(desc_lst[typ].name(comp)) && + desc_lst[typ].getType() == amrex::IndexType::TheCellType()) + plot_var_map.push_back(std::pair(typ, comp)); + + int n_data_items = plot_var_map.size(); + + amrex::Real cur_time = state[State_Type].curTime(); + + if (level == 0 && amrex::ParallelDescriptor::IOProcessor()) { + // + // The first thing we write out is the plotfile type. + // + os << thePlotFileType() << '\n'; + + if (n_data_items == 0) + amrex::Error("Must specify at least one valid data item to plot"); + + os << n_data_items << '\n'; + + // + // Names of variables -- first state, then derived + // + for (i = 0; i < plot_var_map.size(); i++) { + int typ = plot_var_map[i].first; + int comp = plot_var_map[i].second; + os << desc_lst[typ].name(comp) << '\n'; + } + + os << AMREX_SPACEDIM << '\n'; + os << parent->cumTime() << '\n'; + int f_lev = parent->finestLevel(); + os << f_lev << '\n'; + for (i = 0; i < AMREX_SPACEDIM; i++) + os << amrex::DefaultGeometry().ProbLo(i) << ' '; + os << '\n'; + for (i = 0; i < AMREX_SPACEDIM; i++) + os << amrex::DefaultGeometry().ProbHi(i) << ' '; + os << '\n'; + for (i = 0; i < f_lev; i++) + os << parent->refRatio(i)[0] << ' '; + os << '\n'; + for (i = 0; i <= f_lev; i++) + os << parent->Geom(i).Domain() << ' '; + os << '\n'; + for (i = 0; i <= f_lev; i++) + os << parent->levelSteps(i) << ' '; + os << '\n'; + for (i = 0; i <= f_lev; i++) { + for (int k = 0; k < AMREX_SPACEDIM; k++) + os << parent->Geom(i).CellSize()[k] << ' '; + os << '\n'; + } + os << (int)amrex::DefaultGeometry().Coord() << '\n'; + os << "0\n"; // Write bndry data. + + // job_info file with details about the run + writeJobInfo(dir); + } + // Build the directory to hold the MultiFab at this level. + // The name is relative to the directory containing the Header file. + // + static const std::string BaseName = "/Cell"; + char buf[64]; + sprintf(buf, "Level_%d", level); + std::string LevelStr = buf; + // + // Now for the full pathname of that directory. + // + std::string FullPath = dir; + if (!FullPath.empty() && FullPath[FullPath.size() - 1] != '/') + FullPath += '/'; + FullPath += LevelStr; + // + // Only the I/O processor makes the directory if it doesn't already exist. + // + if (amrex::ParallelDescriptor::IOProcessor()) + if (!amrex::UtilCreateDirectory(FullPath, 0755)) + amrex::CreateDirectoryFailed(FullPath); + // + // Force other processors to wait till directory is built. + // + amrex::ParallelDescriptor::Barrier(); + + if (amrex::ParallelDescriptor::IOProcessor()) { + os << level << ' ' << grids.size() << ' ' << cur_time << '\n'; + os << parent->levelSteps(level) << '\n'; + + for (i = 0; i < grids.size(); ++i) { + amrex::RealBox gridloc = + amrex::RealBox(grids[i], geom.CellSize(), geom.ProbLo()); + for (n = 0; n < AMREX_SPACEDIM; n++) + os << gridloc.lo(n) << ' ' << gridloc.hi(n) << '\n'; + } + // + // The full relative pathname of the MultiFabs at this level. + // The name is relative to the Header file containing this name. + // It's the name that gets written into the Header. + // + if (n_data_items > 0) { + std::string PathNameInHeader = LevelStr; + PathNameInHeader += BaseName; + os << PathNameInHeader << '\n'; + } + os << vfraceps << '\n'; + } + // + // We combine all of the multifabs -- state, derived, etc -- into one + // multifab -- plotMF. + // NOTE: we are assuming that each state variable has one component, + // but a derived variable is allowed to have multiple components. + int cnt = 0; + const int nGrow = 0; + amrex::MultiFab plotMF( + grids, dmap, n_data_items, nGrow, amrex::MFInfo(), Factory()); + amrex::MultiFab* this_dat = 0; + // + // Cull data from state variables -- use no ghost cells. + // + for (i = 0; i < plot_var_map.size(); i++) { + int typ = plot_var_map[i].first; + int comp = plot_var_map[i].second; + this_dat = &state[typ].newData(); + amrex::MultiFab::Copy(plotMF, *this_dat, comp, cnt, 1, nGrow); + cnt++; + } + + // + // Use the Full pathname when naming the MultiFab. + // + std::string TheFullPath = FullPath; + TheFullPath += BaseName; + amrex::VisMF::Write(plotMF, TheFullPath, how, true); +} diff --git a/SourceCpp/IndexDefines.H b/SourceCpp/IndexDefines.H new file mode 100644 index 000000000..7b2d98ee2 --- /dev/null +++ b/SourceCpp/IndexDefines.H @@ -0,0 +1,103 @@ +#ifndef _INDEX_DEFINES_H_ +#define _INDEX_DEFINES_H_ + +#include +#include +#include "mechanism.h" + +#define URHO 0 +#define UMX 1 +#define UMY 2 +#define UMZ 3 +#define UEDEN 4 +#define UEINT 5 +#define UTEMP 6 +#define UFA 7 + +#define QRHO 0 +#define QU 1 +#define QV 2 +#define QW 3 +#define QGAME 4 +#define QPRES 5 +#define QREINT 6 +#define QTEMP 7 +#define QFA 8 + +#define QGAMC 0 +#define QC 1 +#define QCSML 2 +#define QDPDR 3 +#define QDPDE 4 +#define QRSPEC 5 + +#define GDRHO 0 +#define GDU 1 +#define GDV 2 +#define GDW 3 +#define GDPRES 4 +#define GDGAME 5 + +#define dComp_rhoD 0 +#define dComp_mu dComp_rhoD + NUM_SPECIES +#define dComp_xi dComp_mu + 1 +#define dComp_lambda dComp_xi + 1 + +#define comp_Cs2 0 +#define comp_CI comp_Cs2 + 1 +#define comp_PrT comp_CI + 1 +#define comp_Cs2ovPrT comp_PrT +#define nCompC comp_PrT + 1 + +#define SlipWall 4 +#define NoSlipWall 5 + +#define NTHERM 7 +#define QTHERM 8 + +#ifndef PELEC_USE_AUX +#define NUM_ADV 0 +#define NUM_AUX 0 +#endif + +#define UFS UFA + NUM_ADV +#define UFX UFS + NUM_SPECIES +#define NVAR NTHERM + NUM_ADV + NUM_SPECIES + NUM_AUX + +#define QFS QFA + NUM_ADV +#define QFX QFS + NUM_SPECIES +#define QVAR QTHERM + NUM_ADV + NUM_SPECIES + NUM_AUX +#define NQ QVAR +#define NQAUX 6 +#define NGDNV 6 + +#define NPASSIVE NUM_SPECIES + NUM_ADV + NUM_AUX + 3 - AMREX_SPACEDIM + +// This value was hardcoded to 4 in get_method_params in the old Fortran code +#define NUM_GROW 4 + +namespace indxmap { + +extern AMREX_GPU_DEVICE_MANAGED int qpassMap[NPASSIVE]; +extern AMREX_GPU_DEVICE_MANAGED int upassMap[NPASSIVE]; + +void init(); + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +int +qpass_map(const int i) +{ + return qpassMap[i]; +} + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +int +upass_map(const int i) +{ + return upassMap[i]; +} +}; // namespace indxmap + +#endif diff --git a/SourceCpp/IndexDefines.cpp b/SourceCpp/IndexDefines.cpp new file mode 100644 index 000000000..af8492fc3 --- /dev/null +++ b/SourceCpp/IndexDefines.cpp @@ -0,0 +1,25 @@ +#include "IndexDefines.H" +#include + +namespace indxmap { +AMREX_GPU_DEVICE_MANAGED int upassMap[NPASSIVE]; +AMREX_GPU_DEVICE_MANAGED int qpassMap[NPASSIVE]; + +void +init() +{ + AMREX_D_PICK(upassMap[0] = UMY; qpassMap[0] = QV; upassMap[1] = UMZ; + qpassMap[1] = QW; int curMapIndx = 2;, upassMap[0] = UMZ; + qpassMap[0] = QW; int curMapIndx = 1;, int curMapIndx = 0;); + for (int i = 0; i != NUM_ADV; ++i) { + upassMap[curMapIndx] = i + UFA; + qpassMap[curMapIndx] = i + QFA; + curMapIndx++; + } + for (int i = 0; i != NUM_SPECIES; ++i) { + upassMap[curMapIndx] = i + UFS; + qpassMap[curMapIndx] = i + QFS; + curMapIndx++; + } +} +} // namespace indxmap diff --git a/SourceCpp/InitEB.cpp b/SourceCpp/InitEB.cpp new file mode 100644 index 000000000..400e7347e --- /dev/null +++ b/SourceCpp/InitEB.cpp @@ -0,0 +1,721 @@ +#include "EB.H" +#include "prob.H" +#include "Utilities.H" + +inline bool +PeleC::ebInitialized() +{ + return eb_initialized; +} + +void +PeleC::init_eb( + const amrex::Geometry& level_geom, + const amrex::BoxArray& ba, + const amrex::DistributionMapping& dm) +{ + amrex::ParmParse pp("eb2"); + std::string geom_type("all_regular"); + pp.query("geom_type", geom_type); + if (geom_type != "all_regular") { + eb_in_domain = true; + } + + // Build the geometry information; this is done for each new set of grids + initialize_eb2_structs(); +} + +/** + * Set up PeleC EB Datastructures from AMReX EB2 constructs + * + * At the end of this routine, the following structures are populated: + * - FabArray ebmask + * - MultiFAB vfrac + * - sv_eb_bndry_geom + */ + +void +PeleC::initialize_eb2_structs() +{ + BL_PROFILE("PeleC::initialize_eb2_structs()"); + amrex::Print() << "Initializing EB2 structs" << std::endl; + + // NOTE: THIS NEEDS TO BE REPLACED WITH A FLAGFAB + + // 1->regular, 0->irregular, -1->covered, 2->outside + ebmask.define(grids, dmap, 1, 0); + + static_assert( + std::is_standard_layout::value, + "EBBndryGeom is not standard layout"); + + const amrex::MultiFab* volfrac; + const amrex::MultiCutFab* bndrycent; + std::array eb2areafrac; + std::array facecent; + + const auto& ebfactory = + dynamic_cast(Factory()); + + // These are the data sources + volfrac = &(ebfactory.getVolFrac()); + bndrycent = &(ebfactory.getBndryCent()); + eb2areafrac = ebfactory.getAreaFrac(); + facecent = ebfactory.getFaceCent(); + + vfrac.copy(*volfrac); + + // First pass over fabs to fill sparse per cut-cell ebg structures + sv_eb_bndry_geom.resize(vfrac.local_size()); + sv_eb_bndry_grad_stencil.resize(vfrac.local_size()); + sv_eb_flux.resize(vfrac.local_size()); + sv_eb_bcval.resize(vfrac.local_size()); + + auto const& flags = ebfactory.getMultiEBCellFlagFab(); + + // Boundary stencil option: 0 = original, 1 = amrex way, 2 = least squares + amrex::ParmParse pp("ebd"); + + int bgs = -1; + pp.get("boundary_grad_stencil_type", bgs); + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(vfrac, false); mfi.isValid(); ++mfi) { + amrex::BaseFab& mfab = ebmask[mfi]; + const amrex::Box tbox = mfi.growntilebox(); + const amrex::EBCellFlagFab& flagfab = flags[mfi]; + + amrex::FabType typ = flagfab.getType(tbox); + int iLocal = mfi.LocalIndex(); + + if (typ == amrex::FabType::regular) { + mfab.setVal(1); + } else if (typ == amrex::FabType::covered) { + mfab.setVal(-1); + } else if (typ == amrex::FabType::singlevalued) { + int Ncut = 0; + for (amrex::BoxIterator bit(tbox); bit.ok(); ++bit) { + const amrex::EBCellFlag& flag = flagfab(bit(), 0); + + if (!(flag.isRegular() || flag.isCovered())) { + Ncut++; + } + } + + sv_eb_bndry_geom[iLocal].resize(Ncut); + int ivec = 0; + for (amrex::BoxIterator bit(tbox); bit.ok(); ++bit) { + const amrex::EBCellFlag& flag = flagfab(bit(), 0); + + if (!(flag.isRegular() || flag.isCovered())) { + EBBndryGeom* d_sv_eb_bndry_geom = sv_eb_bndry_geom[iLocal].data(); + amrex::IntVect captured_bit = bit(); + // Serial loop on the GPU + amrex::ParallelFor(1, [=] AMREX_GPU_DEVICE(int dummy) { + d_sv_eb_bndry_geom[ivec].iv = captured_bit; + }); + ivec++; + + if (mfab.box().contains(bit())) + mfab(bit()) = 0; + } else { + if (flag.isRegular()) { + if (mfab.box().contains(bit())) + mfab(bit()) = 1; + } else if (flag.isCovered()) { + if (mfab.box().contains(bit())) + mfab(bit()) = -1; + } else { + if (mfab.box().contains(bit())) + mfab(bit()) = 2; + } + } + } + + int Nebg = sv_eb_bndry_geom[iLocal].size(); + + // Now fill the sv_eb_bndry_geom + auto const& vfrac_arr = vfrac.array(mfi); + auto const& bndrycent_arr = bndrycent->array(mfi); + auto const& eb2areafrac_arr_0 = eb2areafrac[0]->array(mfi); + auto const& eb2areafrac_arr_1 = eb2areafrac[1]->array(mfi); + auto const& eb2areafrac_arr_2 = eb2areafrac[2]->array(mfi); + pc_fill_sv_ebg( + tbox, Ncut, vfrac_arr, bndrycent_arr, + AMREX_D_DECL(eb2areafrac_arr_0, eb2areafrac_arr_1, eb2areafrac_arr_2), + sv_eb_bndry_geom[iLocal].data()); + + sv_eb_bndry_grad_stencil[iLocal].resize(Ncut); + + // Fill in boundary gradient for cut cells in this grown tile + const amrex::Real dx = geom.CellSize()[0]; + sort>(sv_eb_bndry_geom[iLocal]); + + if (bgs == 0) { + pc_fill_bndry_grad_stencil( + tbox, dx, Ncut, sv_eb_bndry_geom[iLocal].data(), Ncut, + sv_eb_bndry_grad_stencil[iLocal].data()); + } else if (bgs == 1) { + amrex::Print() << "This gradient stencil type WIP and not functional!" + << bgs << std::endl; + amrex::Abort(); + // pc_fill_bndry_grad_stencil_amrex(AMREX_TO_FORTRAN_BOX(tbox), + // sv_eb_bndry_geom[iLocal].data(), + // &Ncut, + // sv_eb_bndry_grad_stencil[iLocal].data(), + // &Ncut, &dx); + } else if (bgs == 2) { + amrex::Print() << "This gradient stencil type WIP and not functional!" + << bgs << std::endl; + amrex::Abort(); + // pc_fill_bndry_grad_stencil_ls(AMREX_TO_FORTRAN_BOX(tbox), + // sv_eb_bndry_geom[iLocal].data(), &Ncut, + // sv_eb_bndry_grad_stencil[iLocal].data(), + // &Ncut, &dx); + } else { + amrex::Print() + << "Unknown or unspecified boundary gradient stencil type:" << bgs + << std::endl; + amrex::Abort(); + } + + sv_eb_flux[iLocal].define(sv_eb_bndry_grad_stencil[iLocal], NVAR); + sv_eb_bcval[iLocal].define(sv_eb_bndry_grad_stencil[iLocal], QVAR); + + if (eb_isothermal && (diffuse_temp != 0 || diffuse_enth != 0)) { + sv_eb_bcval[iLocal].setVal(eb_boundary_T, QTEMP); + } + if (eb_noslip && diffuse_vel == 1) { + sv_eb_bcval[iLocal].setVal(0, QU, AMREX_SPACEDIM); + } + + } else { + amrex::Print() << "unknown (or multivalued) fab type" << std::endl; + amrex::Abort(); + } + } + + // Second pass over dirs and fabs to fill flux interpolation stencils + amrex::Box fbox[AMREX_SPACEDIM]; + + for (int dir = 0; dir < AMREX_SPACEDIM; ++dir) { + flux_interp_stencil[dir].resize(vfrac.local_size()); + + fbox[dir] = amrex::bdryLo( + amrex::Box( + amrex::IntVect(D_DECL(0, 0, 0)), amrex::IntVect(D_DECL(0, 0, 0))), + dir, 1); + + for (int dir1 = 0; dir1 < AMREX_SPACEDIM; ++dir1) { + if (dir1 != dir) + fbox[dir].grow(dir1, 1); + } + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(vfrac, false); mfi.isValid(); ++mfi) { + const amrex::Box tbox = mfi.growntilebox(nGrowTr); + const auto& flagfab = flags[mfi]; + amrex::FabType typ = flagfab.getType(tbox); + int iLocal = mfi.LocalIndex(); + + if (typ == amrex::FabType::regular || typ == amrex::FabType::covered) { + } else if (typ == amrex::FabType::singlevalued) { + const amrex::Box ebox = amrex::Box(tbox).surroundingNodes(dir); + const auto afrac_arr = (*eb2areafrac[dir])[mfi].array(); + const auto facecent_arr = (*facecent[dir])[mfi].array(); + + // This used to be an std::set for cut_faces (it ensured + // sorting and uniqueness) + EBBndryGeom* d_sv_eb_bndry_geom = sv_eb_bndry_geom[iLocal].data(); + amrex::Gpu::LaunchSafeGuard lsg(true); + amrex::Gpu::DeviceScalar ds(0); + int* dp = ds.dataPtr(); + amrex::VecReduce( + sv_eb_bndry_geom[iLocal].size(), 0, + [=] AMREX_GPU_DEVICE(int i, int* r) noexcept { + const amrex::IntVect& iv = d_sv_eb_bndry_geom[i].iv; + for (int iside = 0; iside <= 1; iside++) { + const amrex::IntVect iv_face = iv + iside * amrex::BASISV(dir); + if (afrac_arr(iv_face) < 1.0) { + *r += 1; + } + } + }, + [=] AMREX_GPU_DEVICE(int const& r) noexcept { + amrex::Gpu::deviceReduceSum(dp, r); + }); + const int Nall_cut_faces = ds.dataValue(); + + amrex::Gpu::DeviceVector v_all_cut_faces( + Nall_cut_faces); + amrex::IntVect* all_cut_faces = v_all_cut_faces.data(); + + const int sv_eb_bndry_geom_size = sv_eb_bndry_geom[iLocal].size(); + // Serial loop on the GPU + amrex::ParallelFor(1, [=] AMREX_GPU_DEVICE(int dummy) { + int cnt = 0; + for (int i = 0; i < sv_eb_bndry_geom_size; i++) { + const amrex::IntVect& iv = d_sv_eb_bndry_geom[i].iv; + for (int iside = 0; iside <= 1; iside++) { + const amrex::IntVect iv_face = iv + iside * amrex::BASISV(dir); + if (afrac_arr(iv_face) < 1.0) { + all_cut_faces[cnt] = iv_face; + cnt++; + } + } + } + }); + sort>(v_all_cut_faces); + // ensure uniqueness + amrex::Gpu::DeviceVector v_cut_faces = + unique>(v_all_cut_faces); + + const int Nsten = v_cut_faces.size(); + if (Nsten > 0) { + flux_interp_stencil[dir][iLocal].resize(Nsten); + + amrex::IntVect* cut_faces = v_cut_faces.data(); + auto* d_flux_interp_stencil = flux_interp_stencil[dir][iLocal].data(); + amrex::ParallelFor( + v_cut_faces.size(), [=] AMREX_GPU_DEVICE(int i) noexcept { + d_flux_interp_stencil[i].iv = cut_faces[i]; + }); + + pc_fill_flux_interp_stencil( + tbox, fbox[dir], Nsten, facecent_arr, afrac_arr, + flux_interp_stencil[dir][iLocal].data()); + } + } else { + amrex::Abort("multi-valued flux interp stencil to be implemented"); + } + } + } +} + +void +PeleC::define_body_state() +{ + BL_PROFILE("PeleC::define_body_state()"); + + if (!eb_in_domain) + return; + + // Scan over data and find a point in the fluid to use to + // set computable values in cells outside the domain + if (!body_state_set) { + bool foundPt = false; + const amrex::MultiFab& S = get_new_data(State_Type); + AMREX_ASSERT(S.boxArray() == ebmask.boxArray()); + AMREX_ASSERT(S.DistributionMap() == ebmask.DistributionMap()); + + for (amrex::MFIter mfi(S, false); mfi.isValid() && !foundPt; ++mfi) { + const amrex::Box vbox = mfi.validbox(); + const amrex::BaseFab& m = ebmask[mfi]; + const amrex::FArrayBox& fab = S[mfi]; + AMREX_ASSERT(m.box().contains(vbox)); + + for (amrex::BoxIterator bit(vbox); bit.ok() && !foundPt; ++bit) { + const amrex::IntVect& iv = bit(); + if (m(iv, 0) == 1) { + foundPt = true; + for (int n = 0; n < S.nComp(); ++n) { + body_state[n] = fab(iv, n); + } + } + } + } + + // Find proc with lowest rank to find valid point, use that for all + amrex::Vector found(amrex::ParallelDescriptor::NProcs(), 0); + found[amrex::ParallelDescriptor::MyProc()] = (int)foundPt; + amrex::ParallelDescriptor::ReduceIntSum(&(found[0]), found.size()); + int body_rank = -1; + for (int i = 0; i < found.size(); ++i) { + if (found[i] == 1) { + body_rank = i; + } + } + AMREX_ASSERT(body_rank >= 0); + amrex::ParallelDescriptor::Bcast( + &(body_state[0]), body_state.size(), body_rank); + body_state_set = true; + } +} + +void +PeleC::set_body_state(amrex::MultiFab& S) +{ + BL_PROFILE("PeleC::set_body_state()"); + + if (!eb_in_domain) + return; + + if (!body_state_set) { + define_body_state(); + } + + int covered_val = -1; + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(S, amrex::TilingIfNotGPU()); mfi.isValid(); ++mfi) { + const amrex::Box& vbox = mfi.tilebox(); + auto const& Sar = S.array(mfi); + auto const& mask = ebmask.array(mfi); + auto const captured_body_state = body_state; + amrex::ParallelFor( + vbox, NVAR, [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + pc_set_body_state( + i, j, k, n, mask, captured_body_state, covered_val, Sar); + }); + } +} + +void +PeleC::zero_in_body(amrex::MultiFab& S) const +{ + BL_PROFILE("PeleC::zero_in_body()"); + + if (!eb_in_domain) + return; + + amrex::GpuArray zeros = {0.0}; + int covered_val = -1; + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(S, amrex::TilingIfNotGPU()); mfi.isValid(); ++mfi) { + const amrex::Box& vbox = mfi.tilebox(); + auto const& Sar = S.array(mfi); + auto const& mask = ebmask.array(mfi); + amrex::ParallelFor( + vbox, NVAR, [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + pc_set_body_state(i, j, k, n, mask, zeros, covered_val, Sar); + }); + } +} + +std::string +convertIntGG(int number) +{ + std::stringstream ss; // create a stringstream + ss << number; // add number to the stream + return ss.str(); // return a string with the contents of the stream +} + +/** + * + * Sets up implicit function using EB2 infrastructure + * + **/ +void +initialize_EB2( + const amrex::Geometry& geom, const int required_level, const int max_level) +{ + BL_PROFILE("initializeEB2"); + + amrex::Print() << "Initializing EB2" << std::endl; + amrex::ParmParse ppeb2("eb2"); + + std::string geom_type("all_regular"); + ppeb2.query("geom_type", geom_type); + + int max_coarsening_level = max_level; // Because there are no mg solvers here + + // Custom types defined here - all_regular, plane, sphere, etc, will get + // picked up by default (see AMReX_BE2.cpp around L100 ) + if (geom_type == "flat_plate") { + amrex::Print() << "flat plate geometry not currently supported. \n"; + amrex::Abort(); + } else if (geom_type == "ramp") { + amrex::Print() << "ramp geometry\n"; + int upDir; + int indepVar; + amrex::Real startPt; + amrex::Real slope; + ppeb2.get("up_dir", upDir); + ppeb2.get("indep_var", indepVar); + ppeb2.get("start_pt", startPt); + ppeb2.get("ramp_slope", slope); + + amrex::RealArray normal; + normal.fill(0.0); + normal[upDir] = 1.0; + normal[indepVar] = -slope; + + amrex::RealArray point; + point.fill(0.0); + point[upDir] = -slope * startPt; + + bool normalInside = true; + + amrex::EB2::PlaneIF ramp(point, normal); + auto gshop = amrex::EB2::makeShop(ramp); + amrex::EB2::Build(gshop, geom, max_level, max_level); + } else if (geom_type == "combustor") { + amrex::ParmParse pp("combustor"); + + amrex::Real fwl; + pp.get("far_wall_loc", fwl); + + amrex::EB2::PlaneIF farwall( + {AMREX_D_DECL(fwl, 0., 0.)}, {AMREX_D_DECL(1., 0., 0.)}); + + amrex::Vector pl1pt, pl2pt, pl2nm, pl3pt; + pp.getarr("ramp_plane1_point", pl1pt); + pp.getarr("ramp_plane2_point", pl2pt); + pp.getarr("ramp_plane2_normal", pl2nm); + pp.getarr("ramp_plane3_point", pl3pt); + + auto ramp = amrex::EB2::makeIntersection( + amrex::EB2::PlaneIF({pl1pt[0], pl1pt[1], 0.}, {0., -1., 0.}), + amrex::EB2::PlaneIF({pl2pt[0], pl2pt[1], 0.}, {pl2nm[0], pl2nm[1], 0.}), + amrex::EB2::PlaneIF({pl3pt[0], pl3pt[1], 0.}, {1., 0., 0.})); + + amrex::Vector pipelo, pipehi; + pp.getarr("pipe_lo", pipelo); + pp.getarr("pipe_hi", pipehi); + + amrex::EB2::BoxIF pipe( + {pipelo[0], pipelo[1], -1.}, {pipehi[0], pipehi[1], 1.}, false); + + // where does plane 1 and plane 2 intersect? + amrex::Real k2 = amrex::Math::abs(pl2nm[0] / pl2nm[1]); + amrex::Real secty = pl2pt[1] + k2 * (pl3pt[0] - pl2pt[0]); + // How much do we cut? + amrex::Real dx = geom.CellSize(0); + amrex::Real dycut = + 4. * (1. + max_coarsening_level) * std::min(dx, k2 * dx); + amrex::EB2::BoxIF flat_corner( + {pl3pt[0], 0., -1.}, {1.e10, secty + dycut, 1.}, false); + + auto polys = amrex::EB2::makeUnion(farwall, ramp, pipe, flat_corner); + + amrex::Real lenx = amrex::DefaultGeometry().ProbLength(0); + amrex::Real leny = amrex::DefaultGeometry().ProbLength(1); + auto pr = amrex::EB2::translate( + amrex::EB2::lathe(polys), {lenx * 0.5, leny * 0.5, 0.}); + + auto gshop = amrex::EB2::makeShop(pr); + amrex::EB2::Build(gshop, geom, max_coarsening_level, max_coarsening_level); + } else if (geom_type == "extruded_triangles") { + // setting some constants + // the polygon is triangle + // we can only do a maximum of 5 triangles (change if needed) + const int npts_in_tri = 3; + const int max_tri = 5; + + // number of user defined triangles + int num_tri; + + amrex::ParmParse pp("extruded_triangles"); + amrex::Vector> alltri( + npts_in_tri * max_tri); + + // initalize all triangles with some dummy values + // that fall outside of the domain + // + const amrex::Real *problo, *probhi; + amrex::Real maxlen; + + problo = geom.ProbLo(); + probhi = geom.ProbHi(); + + maxlen = std::max( + std::max(geom.ProbLength(0), geom.ProbLength(1)), geom.ProbLength(2)); + + // setting all triangles to be waaay outside the domain initially + for (int itri = 0; itri < max_tri; itri++) { + alltri[npts_in_tri * itri + 0][0] = problo[0] + 100.0 * maxlen; + alltri[npts_in_tri * itri + 0][1] = problo[1] - 100.0 * maxlen; + alltri[npts_in_tri * itri + 0][2] = 0.0; + + alltri[npts_in_tri * itri + 1][0] = probhi[0] + 100.0 * maxlen; + alltri[npts_in_tri * itri + 1][1] = problo[1] - 100.0 * maxlen; + alltri[npts_in_tri * itri + 1][2] = 0.0; + + alltri[npts_in_tri * itri + 2][0] = probhi[0] + 100.0 * maxlen; + alltri[npts_in_tri * itri + 2][1] = problo[1] + 100.0 * maxlen; + alltri[npts_in_tri * itri + 2][2] = 0.0; + } + + // get user defined number of triangles + pp.get("num_tri", num_tri); + + for (int itri = 0; itri < num_tri; itri++) { + amrex::Array point{0.0, 0.0, 0.0}; + + for (int ipt = 0; ipt < npts_in_tri; ipt++) { + std::string pointstr = + "tri_" + convertIntGG(itri) + "_point_" + convertIntGG(ipt); + amrex::Vector vecpt; + pp.getarr(pointstr.c_str(), vecpt, 0, AMREX_SPACEDIM); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + point[dir] = vecpt[dir]; + } + alltri[npts_in_tri * itri + ipt] = point; + } + } + + // intersection of the 3 planes in a triangle for all triangles + amrex::Vector>> + impfunc_triangles(max_tri); + + for (int itri = 0; itri < max_tri; itri++) { + // make sure points are in anti clockwise direction to set the inside of + // the triangle as solid phase correctly + amrex::Array norm0; + amrex::Array norm1; + amrex::Array norm2; + + amrex::Array point0; + amrex::Array point1; + amrex::Array point2; + + point0 = alltri[npts_in_tri * itri + 0]; + point1 = alltri[npts_in_tri * itri + 1]; + point2 = alltri[npts_in_tri * itri + 2]; + + norm0[0] = -(point1[1] - point0[1]); + norm0[1] = (point1[0] - point0[0]); + norm0[2] = 0.0; + + norm1[0] = -(point2[1] - point1[1]); + norm1[1] = (point2[0] - point1[0]); + norm1[2] = 0.0; + + norm2[0] = -(point0[1] - point2[1]); + norm2[1] = (point0[0] - point2[0]); + norm2[2] = 0.0; + + // normalize so that magnitude is 1 + amrex::Real norm = sqrt(norm0[0] * norm0[0] + norm0[1] * norm0[1]); + norm0[0] = norm0[0] / norm; + norm0[1] = norm0[1] / norm; + + // normalize so that magnitude is 1 + norm = sqrt(norm1[0] * norm1[0] + norm1[1] * norm1[1]); + norm1[0] = norm1[0] / norm; + norm1[1] = norm1[1] / norm; + + // normalize so that magnitude is 1 + norm = sqrt(norm2[0] * norm2[0] + norm2[1] * norm2[1]); + norm2[0] = norm2[0] / norm; + norm2[1] = norm2[1] / norm; + + amrex::EB2::PlaneIF plane0(point0, norm0); + amrex::EB2::PlaneIF plane1(point1, norm1); + amrex::EB2::PlaneIF plane2(point2, norm2); + + impfunc_triangles[itri] = std::unique_ptr>( + new amrex::EB2::IntersectionIF< + amrex::EB2::PlaneIF, amrex::EB2::PlaneIF, amrex::EB2::PlaneIF>( + plane0, plane1, plane2)); + } + + auto alltri_IF = amrex::EB2::makeUnion( + *impfunc_triangles[0], *impfunc_triangles[1], *impfunc_triangles[2], + *impfunc_triangles[3], *impfunc_triangles[4]); + + auto alltri_extrude_IF = + amrex::EB2::extrude(alltri_IF, AMREX_SPACEDIM - 1); // along z + + auto gshop = amrex::EB2::makeShop(alltri_extrude_IF); + amrex::EB2::Build(gshop, geom, max_coarsening_level, max_coarsening_level); + } else if (geom_type == "Line-Piston-Cylinder") { +#ifdef LinePistonCylinder + EBLinePistonCylinder(geom, required_level, max_level); +#else + amrex::Abort("Line-Piston-Cylinder geom_type not supported"); +#endif + } else if (geom_type == "polygon_revolution") { + amrex::Print() + << "polygon_revolution geometry not currently supported. combustor?\n"; + amrex::Abort(); + amrex::Print() << "creating geometry from polygon surfaces of revolution" + << std::endl; + bool insideRegular = false; + + // Data for polygons making up nozzle + amrex::Vector> polygons; + // For building each polygon - unlike original PeleEB, don't scale by domain + // size + int num_poly; + ppeb2.get("num_poly", num_poly); + polygons.resize(num_poly); + for (int ipoly = 0; ipoly < num_poly; ipoly++) { + std::string nptsstr = "poly_" + convertIntGG(ipoly) + "_num_pts"; + int num_pts; + ppeb2.get(nptsstr.c_str(), num_pts); + amrex::Vector polygon(num_pts); + for (int ipt = 0; ipt < num_pts; ipt++) { + amrex::RealArray point; + point.fill(0.0); + std::string pointstr = + "poly_" + convertIntGG(ipoly) + "_point_" + convertIntGG(ipt); + amrex::Vector vecpt; + ppeb2.getarr(pointstr.c_str(), vecpt, 0, AMREX_SPACEDIM); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + point[dir] = vecpt[dir]; + } + polygon[ipt] = point; + } + polygons[ipoly] = polygon; + } + amrex::Vector planes; + for (int ipoly = 0; ipoly < num_poly; ipoly++) { + const amrex::Vector& polygon = polygons[ipoly]; + int numPts = polygon.size(); // Number of pts in this polygon + for (int n = 0; n < numPts; n++) { + // The normal and point is space used to specify each half plane/space + amrex::RealArray normal; + normal.fill(0.0); + amrex::RealArray point; + + // Set the normal remembering that the last point connects to the first + // point + normal[0] = -(polygon[(n + 1) % numPts][1] - polygon[n][1]); + normal[1] = (polygon[(n + 1) % numPts][0] - polygon[n][0]); + + point = polygon[n]; + amrex::EB2::PlaneIF plane(point, normal); + planes.push_back(plane); + } + } + + // PolygonIF pf(planes); + // auto gshop = EB2::makeShop(pf); + // EB2::Build(gshop, geom, max_level, max_level); + + } else if (geom_type == "moving_plane") { + amrex::RealArray point; + point[0] = 0.5; + point[1] = 0.0; + point[2] = 0.0; + + amrex::RealArray normal; + normal[0] = -1.0; + normal[1] = 0.0; + normal[2] = 0.0; + + amrex::EB2::PlaneIF pf(point, normal); + + // amrex::EB2::GeometryShop gshop(pf); + + amrex::EB2::BoxIF pipe({-1.0, 0.25, -1.}, {1.5, 0.5, 1.}, false); + auto gshop = amrex::EB2::makeShop(pipe); + + amrex::EB2::Build(gshop, geom, max_coarsening_level, max_coarsening_level); + + } else { + amrex::EB2::Build(geom, max_level, max_level); + } +} diff --git a/SourceCpp/LES.H b/SourceCpp/LES.H new file mode 100644 index 000000000..e85300b0c --- /dev/null +++ b/SourceCpp/LES.H @@ -0,0 +1,510 @@ +#ifndef _LES_H_ +#define _LES_H_ + +#include "PeleC.H" +#include "Utilities.H" +#include "Diffusion.H" +#include "Diffterm.H" +#include "GradUtil.H" +#include "EOS.H" +#include "Filter.H" + +#ifdef _OPENMP +#include +#endif + +#if AMREX_SPACEDIM == 3 +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +get_sfs_stresses_xdir( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const amrex::Array4& td, + const amrex::Real dxinv, + const amrex::Real deltabar, + amrex::Real& alphaij_xx, + amrex::Real& alphaij_xy, + amrex::Real& alphaij_xz, + amrex::Real& alpha, + amrex::Real& flux_T) +{ + + amrex::Real dUdx[3][3] = {0.0}; + dUdx[0][0] = dxinv * (q(i, j, k, QU) - q(i - 1, j, k, QU)); // dudx + dUdx[0][1] = td(i, j, k, 0); // dudy + dUdx[0][2] = td(i, j, k, 3); // dudz + dUdx[1][0] = dxinv * (q(i, j, k, QV) - q(i - 1, j, k, QV)); // dvdx + dUdx[1][1] = td(i, j, k, 1); // dvdy + dUdx[1][2] = td(i, j, k, 4); // dvdz + dUdx[2][0] = dxinv * (q(i, j, k, QW) - q(i - 1, j, k, QW)); // dwdx + dUdx[2][1] = td(i, j, k, 2); // dwdy + dUdx[2][2] = td(i, j, k, 5); // dwdz + + amrex::Real S[3][3] = {0.0}; + amrex::Real Sijmag = 0; + for (int m = 0; m < 3; m++) { + for (int n = 0; n < 3; n++) { + S[m][n] = 0.5 * (dUdx[m][n] + dUdx[n][m]); + Sijmag += S[m][n] * S[m][n]; + } + } + Sijmag = std::sqrt(2.0 * Sijmag); + const amrex::Real Skk = S[0][0] + S[1][1] + S[2][2]; + + const amrex::Real mut = 0.5 * (q(i, j, k, QRHO) + q(i - 1, j, k, QRHO)) * + deltabar * deltabar * Sijmag; + + alphaij_xx = 2.0 * mut * (S[0][0] - Skk / 3.0); + alphaij_xy = 2.0 * mut * S[0][1]; + alphaij_xz = 2.0 * mut * S[0][2]; + alpha = 2.0 * mut * Sijmag; + + const amrex::Real dTdx = dxinv * (q(i, j, k, QTEMP) - q(i - 1, j, k, QTEMP)); + flux_T = mut * dTdx; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +get_sfs_stresses_ydir( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const amrex::Array4& td, + const amrex::Real dxinv, + const amrex::Real deltabar, + amrex::Real& alphaij_yx, + amrex::Real& alphaij_yy, + amrex::Real& alphaij_yz, + amrex::Real& alpha, + amrex::Real& flux_T) +{ + + amrex::Real dUdx[3][3] = {0.0}; + dUdx[0][0] = td(i, j, k, 0); // dudx + dUdx[0][1] = dxinv * (q(i, j, k, QU) - q(i, j - 1, k, QU)); // dudy + dUdx[0][2] = td(i, j, k, 3); // dudz + dUdx[1][0] = td(i, j, k, 1); // dvdx + dUdx[1][1] = dxinv * (q(i, j, k, QV) - q(i, j - 1, k, QV)); // dvdy + dUdx[1][2] = td(i, j, k, 4); // dvdz + dUdx[2][0] = td(i, j, k, 2); // dwdx + dUdx[2][1] = dxinv * (q(i, j, k, QW) - q(i, j - 1, k, QW)); // dwdy + dUdx[2][2] = td(i, j, k, 5); // dwdz + + amrex::Real S[3][3] = {0.0}; + amrex::Real Sijmag = 0; + for (int m = 0; m < 3; m++) { + for (int n = 0; n < 3; n++) { + S[m][n] = 0.5 * (dUdx[m][n] + dUdx[n][m]); + Sijmag += S[m][n] * S[m][n]; + } + } + Sijmag = std::sqrt(2.0 * Sijmag); + const amrex::Real Skk = S[0][0] + S[1][1] + S[2][2]; + + const amrex::Real mut = 0.5 * (q(i, j, k, QRHO) + q(i, j - 1, k, QRHO)) * + deltabar * deltabar * Sijmag; + + alphaij_yx = 2.0 * mut * S[1][0]; + alphaij_yy = 2.0 * mut * (S[1][1] - Skk / 3.0); + alphaij_yz = 2.0 * mut * S[1][2]; + alpha = 2.0 * mut * Sijmag; + + const amrex::Real dTdy = dxinv * (q(i, j, k, QTEMP) - q(i, j - 1, k, QTEMP)); + flux_T = mut * dTdy; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +get_sfs_stresses_zdir( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const amrex::Array4& td, + const amrex::Real dxinv, + const amrex::Real deltabar, + amrex::Real& alphaij_zx, + amrex::Real& alphaij_zy, + amrex::Real& alphaij_zz, + amrex::Real& alpha, + amrex::Real& flux_T) +{ + + amrex::Real dUdx[3][3] = {0.0}; + dUdx[0][0] = td(i, j, k, 0); // dudx + dUdx[0][1] = td(i, j, k, 3); // dudy + dUdx[0][2] = dxinv * (q(i, j, k, QU) - q(i, j, k - 1, QU)); // dudz + dUdx[1][0] = td(i, j, k, 1); // dvdx + dUdx[1][1] = td(i, j, k, 4); // dvdy + dUdx[1][2] = dxinv * (q(i, j, k, QV) - q(i, j, k - 1, QV)); // dvdz + dUdx[2][0] = td(i, j, k, 2); // dwdx + dUdx[2][1] = td(i, j, k, 5); // dwdy + dUdx[2][2] = dxinv * (q(i, j, k, QW) - q(i, j, k - 1, QW)); // dwdz + + amrex::Real S[3][3] = {0.0}; + amrex::Real Sijmag = 0; + for (int m = 0; m < 3; m++) { + for (int n = 0; n < 3; n++) { + S[m][n] = 0.5 * (dUdx[m][n] + dUdx[n][m]); + Sijmag += S[m][n] * S[m][n]; + } + } + Sijmag = std::sqrt(2.0 * Sijmag); + const amrex::Real Skk = S[0][0] + S[1][1] + S[2][2]; + + const amrex::Real mut = 0.5 * (q(i, j, k, QRHO) + q(i, j, k - 1, QRHO)) * + deltabar * deltabar * Sijmag; + + alphaij_zx = 2.0 * mut * S[2][0]; + alphaij_zy = 2.0 * mut * S[2][1]; + alphaij_zz = 2.0 * mut * (S[2][2] - Skk / 3.0); + alpha = 2.0 * mut * Sijmag; + + const amrex::Real dTdz = dxinv * (q(i, j, k, QTEMP) - q(i, j, k - 1, QTEMP)); + flux_T = mut * dTdz; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_smagorinsky_sfs_term( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const amrex::Array4& td, + const amrex::Array4& a, + const amrex::Real dx, + const int dir, + const amrex::Real Cs, + const amrex::Real CI, + const amrex::Real PrT, + const amrex::Array4& flx) +{ + // SFS stress + const int bdim[3] = {dir == 0, dir == 1, dir == 2}; + const amrex::Real dxinv = 1.0 / dx; + const amrex::Real deltabar = dx; + const amrex::Real Cs2 = Cs * Cs; + const amrex::Real third = 1.0 / 3.0; + amrex::Real alphaij[AMREX_SPACEDIM] = {0.0}, alpha, flux_T; + if (dir == 0) { + get_sfs_stresses_xdir( + i, j, k, q, td, dxinv, deltabar, alphaij[0], alphaij[1], alphaij[2], + alpha, flux_T); + } else if (dir == 1) { + get_sfs_stresses_ydir( + i, j, k, q, td, dxinv, deltabar, alphaij[0], alphaij[1], alphaij[2], + alpha, flux_T); + } else { + get_sfs_stresses_zdir( + i, j, k, q, td, dxinv, deltabar, alphaij[0], alphaij[1], alphaij[2], + alpha, flux_T); + } + const amrex::Real sigmadx = Cs2 * alphaij[0] - third * CI * alpha * bdim[0]; + const amrex::Real sigmady = Cs2 * alphaij[1] - third * CI * alpha * bdim[1]; + const amrex::Real sigmadz = Cs2 * alphaij[2] - third * CI * alpha * bdim[2]; + flx(i, j, k, UMX) = -sigmadx; + flx(i, j, k, UMY) = -sigmady; + flx(i, j, k, UMZ) = -sigmadz; + + // SFS turbulent diffusion + const amrex::Real Uface[AMREX_SPACEDIM] = { + 0.5 * (q(i, j, k, QU) + q(i - bdim[0], j - bdim[1], k - bdim[2], QU)), + 0.5 * (q(i, j, k, QV) + q(i - bdim[0], j - bdim[1], k - bdim[2], QV)), + 0.5 * (q(i, j, k, QW) + q(i - bdim[0], j - bdim[1], k - bdim[2], QW))}; + flx(i, j, k, UEDEN) = + -sigmadx * Uface[0] - sigmady * Uface[1] - sigmadz * Uface[2]; + + // SFS heat flux - move state from cell centers to faces to compute cp for + // flux at face + amrex::Real T = + 0.5 * (q(i, j, k, QTEMP) + q(i - bdim[0], j - bdim[1], k - bdim[2], QTEMP)); + amrex::Real massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; n++) { + massfrac[n] = 0.5 * (q(i, j, k, QFS + n) + + q(i - bdim[0], j - bdim[1], k - bdim[2], QFS + n)); + } + amrex::Real cp; + EOS::TY2Cp(T, massfrac, cp); + flx(i, j, k, UEDEN) = flx(i, j, k, UEDEN) - cp * Cs2 / PrT * flux_T; + + // Scale fluxes by area + flx(i, j, k, UMX) = flx(i, j, k, UMX) * a(i, j, k); + flx(i, j, k, UMY) = flx(i, j, k, UMY) * a(i, j, k); + flx(i, j, k, UMZ) = flx(i, j, k, UMZ) * a(i, j, k); + flx(i, j, k, UEDEN) = flx(i, j, k, UEDEN) * a(i, j, k); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +get_sfs_stresses_cc( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const amrex::Real dxinv[AMREX_SPACEDIM], + const amrex::Real deltabar, + amrex::Real& alpha00, + amrex::Real& alpha01, + amrex::Real& alpha02, + amrex::Real& alpha11, + amrex::Real& alpha12, + amrex::Real& alpha22, + amrex::Real& alpha, + amrex::Real& flux_T0, + amrex::Real& flux_T1, + amrex::Real& flux_T2) +{ + // Calculate derivatives at cell centers, second order central difference + amrex::Real dUdx[3][3] = {0.0}; + dUdx[0][0] = 0.5 * dxinv[0] * (q(i + 1, j, k, QU) - q(i - 1, j, k, QU)); + dUdx[0][1] = 0.5 * dxinv[1] * (q(i, j + 1, k, QU) - q(i, j - 1, k, QU)); + dUdx[0][2] = 0.5 * dxinv[2] * (q(i, j, k + 1, QU) - q(i, j, k - 1, QU)); + dUdx[1][0] = 0.5 * dxinv[0] * (q(i + 1, j, k, QV) - q(i - 1, j, k, QV)); + dUdx[1][1] = 0.5 * dxinv[1] * (q(i, j + 1, k, QV) - q(i, j - 1, k, QV)); + dUdx[1][2] = 0.5 * dxinv[2] * (q(i, j, k + 1, QV) - q(i, j, k - 1, QV)); + dUdx[2][0] = 0.5 * dxinv[0] * (q(i + 1, j, k, QW) - q(i - 1, j, k, QW)); + dUdx[2][1] = 0.5 * dxinv[1] * (q(i, j + 1, k, QW) - q(i, j - 1, k, QW)); + dUdx[2][2] = 0.5 * dxinv[2] * (q(i, j, k + 1, QW) - q(i, j, k - 1, QW)); + + amrex::Real S[3][3] = {0.0}; + amrex::Real Sijmag = 0; + for (int m = 0; m < 3; m++) { + for (int n = 0; n < 3; n++) { + S[m][n] = 0.5 * (dUdx[m][n] + dUdx[n][m]); + Sijmag += S[m][n] * S[m][n]; + } + } + Sijmag = std::sqrt(2.0 * Sijmag); + const amrex::Real Skk = S[0][0] + S[1][1] + S[2][2]; + const amrex::Real mut = q(i, j, k, QRHO) * deltabar * deltabar * Sijmag; + + alpha00 = 2.0 * mut * (S[0][0] - Skk / 3.0); + alpha01 = 2.0 * mut * (S[0][1]); + alpha02 = 2.0 * mut * (S[0][2]); + alpha11 = 2.0 * mut * (S[1][1] - Skk / 3.0); + alpha12 = 2.0 * mut * (S[1][2]); + alpha22 = 2.0 * mut * (S[2][2] - Skk / 3.0); + alpha = 2.0 * mut * Sijmag; + + flux_T0 = + mut * 0.5 * dxinv[0] * (q(i + 1, j, k, QTEMP) - q(i - 1, j, k, QTEMP)); + flux_T1 = + mut * 0.5 * dxinv[1] * (q(i, j + 1, k, QTEMP) - q(i, j - 1, k, QTEMP)); + flux_T2 = + mut * 0.5 * dxinv[2] * (q(i, j, k + 1, QTEMP) - q(i, j, k - 1, QTEMP)); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_dynamic_smagorinsky_quantities( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const int fgr, + const amrex::GpuArray dx, + const amrex::Array4& Kij, + const amrex::Array4& RUT, + const amrex::Array4& alphaij, + const amrex::Array4& alpha, + const amrex::Array4& flux_T) +{ + // indexes + const int i00 = 0 * AMREX_SPACEDIM + 0; + const int i01 = 1 * AMREX_SPACEDIM + 0; + const int i02 = 2 * AMREX_SPACEDIM + 0; + const int i10 = 0 * AMREX_SPACEDIM + 1; + const int i11 = 1 * AMREX_SPACEDIM + 1; + const int i12 = 2 * AMREX_SPACEDIM + 1; + const int i20 = 0 * AMREX_SPACEDIM + 2; + const int i21 = 1 * AMREX_SPACEDIM + 2; + const int i22 = 2 * AMREX_SPACEDIM + 2; + + // Maybe revisit how to determine deltahat in the case where dx1 != dx2 != dx3 + // (irrelevant for now as this is presently not allowed) + const amrex::Real deltabar = fgr * (dx[0] + dx[1] + dx[2]) / 3.0; + const amrex::Real dxinv[AMREX_SPACEDIM] = { + 1.0 / dx[0], 1.0 / dx[1], 1.0 / dx[2]}; + + get_sfs_stresses_cc( + i, j, k, q, dxinv, deltabar, alphaij(i, j, k, i00), alphaij(i, j, k, i01), + alphaij(i, j, k, i02), alphaij(i, j, k, i11), alphaij(i, j, k, i12), + alphaij(i, j, k, i22), alpha(i, j, k), flux_T(i, j, k, 0), + flux_T(i, j, k, 1), flux_T(i, j, k, 2)); + alphaij(i, j, k, i10) = alphaij(i, j, k, i01); + alphaij(i, j, k, i20) = alphaij(i, j, k, i02); + alphaij(i, j, k, i21) = alphaij(i, j, k, i12); + + Kij(i, j, k, 0) = q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QU); + Kij(i, j, k, 1) = q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QV); + Kij(i, j, k, 2) = q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QW); + Kij(i, j, k, 3) = q(i, j, k, QRHO) * q(i, j, k, QV) * q(i, j, k, QV); + Kij(i, j, k, 4) = q(i, j, k, QRHO) * q(i, j, k, QV) * q(i, j, k, QW); + Kij(i, j, k, 5) = q(i, j, k, QRHO) * q(i, j, k, QW) * q(i, j, k, QW); + + RUT(i, j, k, 0) = q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QTEMP); + RUT(i, j, k, 1) = q(i, j, k, QRHO) * q(i, j, k, QV) * q(i, j, k, QTEMP); + RUT(i, j, k, 2) = q(i, j, k, QRHO) * q(i, j, k, QW) * q(i, j, k, QTEMP); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_dynamic_smagorinsky_coeffs( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const int fgr, + const amrex::GpuArray dx, + const amrex::Array4& Kij, + const amrex::Array4& RUT, + const amrex::Array4& alphaij, + const amrex::Array4& alpha, + const amrex::Array4& flux_T, + const amrex::Array4& coeff) +{ + // indexes + const int i00 = 0 * AMREX_SPACEDIM + 0; + const int i01 = 1 * AMREX_SPACEDIM + 0; + const int i02 = 2 * AMREX_SPACEDIM + 0; + const int i10 = 0 * AMREX_SPACEDIM + 1; + const int i11 = 1 * AMREX_SPACEDIM + 1; + const int i12 = 2 * AMREX_SPACEDIM + 1; + const int i20 = 0 * AMREX_SPACEDIM + 2; + const int i21 = 1 * AMREX_SPACEDIM + 2; + const int i22 = 2 * AMREX_SPACEDIM + 2; + + // Maybe revisit how to determine deltahat in the case where dx1 != dx2 != dx3 + // (irrelevant for now as this is presently not allowed) + const amrex::Real deltahat = fgr * (dx[0] + dx[1] + dx[2]) / 3.0; + const amrex::Real dxinv[AMREX_SPACEDIM] = { + 1.0 / dx[0], 1.0 / dx[1], 1.0 / dx[2]}; + + amrex::Real L[AMREX_SPACEDIM * AMREX_SPACEDIM], + M[AMREX_SPACEDIM * AMREX_SPACEDIM], betaij[AMREX_SPACEDIM * AMREX_SPACEDIM], + beta, T[AMREX_SPACEDIM], KE[AMREX_SPACEDIM]; + + get_sfs_stresses_cc( + i, j, k, q, dxinv, deltahat, betaij[i00], betaij[i01], betaij[i02], + betaij[i11], betaij[i12], betaij[i22], beta, T[0], T[1], T[2]); + betaij[i10] = betaij[i01]; + betaij[i20] = betaij[i02]; + betaij[i21] = betaij[i12]; + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + T[dir] = flux_T(i, j, k, dir) - T[dir]; + } + + // "resolved turbulent stresses" and others + for (int dir = 0; dir < AMREX_SPACEDIM * AMREX_SPACEDIM; dir++) { + M[dir] = betaij[dir] * alphaij(i, j, k, dir); + } + + L[i00] = Kij(i, j, k, 0) - q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QU); + L[i01] = Kij(i, j, k, 1) - q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QV); + L[i02] = Kij(i, j, k, 2) - q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QW); + L[i10] = L[i01]; + L[i11] = Kij(i, j, k, 3) - q(i, j, k, QRHO) * q(i, j, k, QV) * q(i, j, k, QV); + L[i12] = Kij(i, j, k, 4) - q(i, j, k, QRHO) * q(i, j, k, QV) * q(i, j, k, QW); + L[i20] = L[i02]; + L[i21] = L[i12]; + L[i22] = Kij(i, j, k, 5) - q(i, j, k, QRHO) * q(i, j, k, QW) * q(i, j, k, QW); + + KE[0] = + RUT(i, j, k, 0) - q(i, j, k, QRHO) * q(i, j, k, QU) * q(i, j, k, QTEMP); + KE[1] = + RUT(i, j, k, 1) - q(i, j, k, QRHO) * q(i, j, k, QV) * q(i, j, k, QTEMP); + KE[2] = + RUT(i, j, k, 2) - q(i, j, k, QRHO) * q(i, j, k, QW) * q(i, j, k, QTEMP); + + // Contractions + amrex::Real TT = 0.0, KT = 0.0, LM = 0.0, MM = 0.0; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + TT += T[dir] * T[dir]; + KT += KE[dir] * T[dir]; + for (int n = 0; n < AMREX_SPACEDIM; n++) { + LM += L[dir * AMREX_SPACEDIM + n] * M[dir * AMREX_SPACEDIM + n]; + MM += M[dir * AMREX_SPACEDIM + n] * M[dir * AMREX_SPACEDIM + n]; + } + } + const amrex::Real Lkk = L[i00] + L[i11] + L[i22]; + const amrex::Real bma = beta - alpha(i, j, k); + + // Coefficients + coeff(i, j, k, comp_Cs2) = amrex::max(LM / (MM + SMALL_NUM), SMALL_NUM); + coeff(i, j, k, comp_CI) = amrex::max(Lkk / (bma + SMALL_NUM), SMALL_NUM); + coeff(i, j, k, comp_Cs2ovPrT) = amrex::max(KT / (TT + SMALL_NUM), SMALL_NUM); + + // Limit CI to reasonable bounds + coeff(i, j, k, comp_CI) = amrex::min(coeff(i, j, k, comp_CI), 1.0); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_dynamic_smagorinsky_sfs_term( + const int i, + const int j, + const int k, + const amrex::Array4& q, + const amrex::Array4& alphaij, + const amrex::Array4& alpha, + const amrex::Array4& flux_T, + const amrex::Array4& coeff, + const amrex::Array4& a, + const int dir, + const amrex::Array4& flx) +{ + const int bdim[3] = {dir == 0, dir == 1, dir == 2}; + + // SFS stress + const amrex::Real sigmadx = coeff(i, j, k, comp_Cs2) * alphaij(i, j, k, 0) - + coeff(i, j, k, comp_CI) * alpha(i, j, k) / 3.0; + const amrex::Real sigmady = coeff(i, j, k, comp_Cs2) * alphaij(i, j, k, 1); + const amrex::Real sigmadz = coeff(i, j, k, comp_Cs2) * alphaij(i, j, k, 2); + flx(i, j, k, UMX) = -sigmadx; + flx(i, j, k, UMY) = -sigmady; + flx(i, j, k, UMZ) = -sigmadz; + + // SFS turbulent diffusion + const amrex::Real Uface[AMREX_SPACEDIM] = { + 0.5 * (q(i, j, k, QU) + q(i - bdim[0], j - bdim[1], k - bdim[2], QU)), + 0.5 * (q(i, j, k, QV) + q(i - bdim[0], j - bdim[1], k - bdim[2], QV)), + 0.5 * (q(i, j, k, QW) + q(i - bdim[0], j - bdim[1], k - bdim[2], QW))}; + flx(i, j, k, UEDEN) = + -sigmadx * Uface[0] - sigmady * Uface[1] - sigmadz * Uface[2]; + + // SFS heat flux - move state from cell centers to faces to compute cp for + // flux at face + amrex::Real T = + 0.5 * (q(i, j, k, QTEMP) + q(i - bdim[0], j - bdim[1], k - bdim[2], QTEMP)); + amrex::Real massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; n++) { + massfrac[n] = 0.5 * (q(i, j, k, QFS + n) + + q(i - bdim[0], j - bdim[1], k - bdim[2], QFS + n)); + } + amrex::Real cp; + EOS::TY2Cp(T, massfrac, cp); + flx(i, j, k, UEDEN) = + flx(i, j, k, UEDEN) - cp * coeff(i, j, k, comp_Cs2ovPrT) * flux_T(i, j, k); + + // Scale fluxes by area + flx(i, j, k, UMX) = flx(i, j, k, UMX) * a(i, j, k); + flx(i, j, k, UMY) = flx(i, j, k, UMY) * a(i, j, k); + flx(i, j, k, UMZ) = flx(i, j, k, UMZ) * a(i, j, k); + flx(i, j, k, UEDEN) = flx(i, j, k, UEDEN) * a(i, j, k); +} + +#endif // AMREX_SPACEDIM == 3 +#endif diff --git a/SourceCpp/LES.cpp b/SourceCpp/LES.cpp new file mode 100644 index 000000000..99b7f5331 --- /dev/null +++ b/SourceCpp/LES.cpp @@ -0,0 +1,706 @@ +// Constant and Dynamic Smagorinsky models are implemented +// +// AT THE MOMENT: +// - no multifluid component of the equations are solved +// +// - Strictly, the formulation assumes perfect gas / constant specific heats / +// GammaLaw EoS. +// This assumption (e + p/rho = h = Cp*T) is used to relate the turbulent +// transport of internal energy + pressure term to the turbulent temperature +// transport and thus the temperature gradient: +// +// with <> = filter, {} = density weighted filter, state = [rho, rho*E, +// rho*u_j] {u_j h} - {u_j}{h} = Smagorinsky Model = +// nu_T/Pr_T * d{h}/dx_j +// -> modeled as -> nu_T/Pr_T * +// Cp() * dT()/dx_j +// +// For non-perfect gasses there are two issues with the formulation: h =/= +// Cp*T, and T is a nonlinear function of the state variables so T() +// =/= {T}. For ideal gases where the specific heats are relatively weak +// functions of temperaure, the error induced from both of these issues is +// expected to be small relative to the overall error in the Smagorinsky +// models because the error in the approximation delta_h = Cp*delta_T is ~ +// dCp/dT*delta_T. But the present formulation is unsuited for real gas +// equations and superctritical fluids where properties such as Cp are very +// strong nonlinear functions of the state variables. Converting this term +// to an enthalpy-based Smagorinsky-like model would alleviate the former +// issue, but the latter would still remain: h() =/= {h}. +// +// - The formulation also assumes that the pressure term in the velocity +// equation can be solved +// using p(), rather than

, which are not equivalent for +// non-perfect gasses (even for ideal gasses where

= *R*{T} +// (assuming R is constant) {T} is a non-linear function of the state, so +// this makes p() =/=

. Again, for weak nonlinearity this is +// probably not the leading order error in the modeling approach. An +// alternative explanation is that any discrepancy is part of what is +// modeled by the Smagorinsky approach. +// +// - The last major modeling assumption is that molecular transport may be +// closed using, for example, +// = < -lambda dT/dx > = -lambda() d{T}/dx +// This type of closure is standard in the literature, or at least similar +// closures using instead of lambda() are standard. Although +// perhaps it has not been verified for real gas EoS. In any event, for +// coarse LES grids the molecular transport coeffs are much smaller than the +// turbulent one, so this is standard modeling approach is probably +// justified. + +#include "LES.H" + +void +PeleC::construct_old_les_source( + amrex::Real time, amrex::Real dt, int sub_iteration, int sub_ncycle) +{ + // Add grow cells necessary for explicit filtering of source terms + if (use_explicit_filter) { + filtered_les_source.define( + grids, dmap, NVAR, old_sources[les_src]->nGrow(), amrex::MFInfo(), + Factory()); + old_sources[les_src]->define( + grids, dmap, NVAR, old_sources[les_src]->nGrow() + nGrowF, + amrex::MFInfo(), Factory()); + } + + old_sources[les_src]->setVal(0.0); + + amrex::Real flux_factor_old = 0.5; + getLESTerm(time, dt, *old_sources[les_src], flux_factor_old); + + old_sources[les_src]->FillBoundary(geom.periodicity()); +} + +void +PeleC::construct_new_les_source( + amrex::Real time, amrex::Real dt, int sub_iteration, int sub_ncycle) +{ + // Add grow cells necessary for explicit filtering of source terms + if (use_explicit_filter) { + filtered_les_source.define( + grids, dmap, NVAR, new_sources[les_src]->nGrow(), amrex::MFInfo(), + Factory()); + new_sources[les_src]->define( + grids, dmap, NVAR, new_sources[les_src]->nGrow() + nGrowF, + amrex::MFInfo(), Factory()); + } + + new_sources[les_src]->setVal(0.0); + + amrex::Real flux_factor_new = sub_iteration == sub_ncycle - 1 ? 0.5 : 0; + getLESTerm(time, dt, *new_sources[les_src], flux_factor_new); +} + +/** + * Calculate the LES term by calling an SFS model + * Across all conserved state components, compute the LES "source term" + * = -Div(LESFlux). + **/ +void +PeleC::getLESTerm( + amrex::Real time, + amrex::Real dt, + amrex::MultiFab& LESTerm, + amrex::Real flux_factor) +{ + BL_PROFILE("PeleC::getLESTerm()"); + + if (do_les == 0) { + LESTerm.setVal(0, 0, NVAR, LESTerm.nGrow()); + return; + } + + if (verbose) { + amrex::Print() << "... Computing LES term at time " << time << std::endl; + } + + switch (les_model) { + + case 0: + getSmagorinskyLESTerm(time, dt, LESTerm, flux_factor); + break; + + case 1: + getDynamicSmagorinskyLESTerm(time, dt, LESTerm, flux_factor); + break; + + default: + amrex::Error("Invalid les_model number."); + break; + } + + amrex::Print() << "WARNING -- Need to implement LES extrap " << std::endl; + // // Extrapolate to GhostCells + // if (LESTerm.nGrow() > 0) { + // #ifdef _OPENMP + // #pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) + // #endif + // // for (MFIter mfi(LESTerm, TilingIfNotGPU()); mfi.isValid(); ++mfi) { + // for (MFIter mfi(LESTerm, false); mfi.isValid(); ++mfi) { + // BL_PROFILE("PeleC::diffextrap()"); + // auto const& Lterm = LESTerm.array(mfi); + // const int mg = LESTerm.nGrow(); + // const Box& bx = mfi.tilebox(); + // auto lo = bx.loVect(); + // auto hi = bx.hiVect(); + // auto dlo = Lterm.begin; + // auto dhi = Lterm.end; + // const int AMREX_D_DECL(lx = lo[0], ly = lo[1], lz = lo[2]); + // const int AMREX_D_DECL(hx = hi[0], hy = hi[1], hz = hi[2]); + // amrex::ParallelFor( + // bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // pc_diffextrap( + // i, j, k, Lterm, mg, UMX, UMZ + 1, AMREX_D_DECL(lx, ly, lz), + // AMREX_D_DECL(hx, hy, hz), dlo, dhi); + // pc_diffextrap( + // i, j, k, Lterm, mg, UFS, UFS + NUM_SPECIES, + // AMREX_D_DECL(lx, ly, lz), AMREX_D_DECL(hx, hy, hz), dlo, dhi); + // pc_diffextrap( + // i, j, k, Lterm, mg, UEDEN, UEDEN + 1, AMREX_D_DECL(lx, ly, lz), + // AMREX_D_DECL(hx, hy, hz), dlo, dhi); + // }); + // } + // } + + // Filter the SGS source term + if (use_explicit_filter) { + les_filter.apply_filter(LESTerm, filtered_les_source); + LESTerm.define( + grids, dmap, NVAR, filtered_les_source.nGrow(), amrex::MFInfo(), + Factory()); + amrex::MultiFab::Copy( + LESTerm, filtered_les_source, 0, 0, NVAR, filtered_les_source.nGrow()); + } +} + +/** + * Calculate the LES term using the Smagorinsky SFS model + **/ +void +PeleC::getSmagorinskyLESTerm( + amrex::Real time, + amrex::Real dt, + amrex::MultiFab& LESTerm, + amrex::Real flux_factor) +{ + // Only use this functionality for 3D +#if AMREX_SPACEDIM == 3 + int ngrow = 1; + const amrex::GpuArray dx = geom.CellSizeArray(); + amrex::Real dx1 = dx[0]; + for (int dir = 1; dir < AMREX_SPACEDIM; ++dir) { + dx1 *= dx[dir]; + } + const amrex::GpuArray dxD = { + D_DECL(dx1, dx1, dx1)}; + const amrex::Real* dxDp = &(dxD[0]); + + amrex::MultiFab S(grids, dmap, NVAR, ngrow); + FillPatch(*this, S, ngrow, time, State_Type, 0, NVAR); // FIXME: time+dt? + + // Fetch some gpu arrays + prefetchToDevice(S); + prefetchToDevice(LESTerm); + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(S.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + { + for (amrex::MFIter mfi(S, amrex::TilingIfNotGPU()); mfi.isValid(); ++mfi) { + const amrex::Box vbox = mfi.tilebox(); + const amrex::Box gbox = amrex::grow(vbox, ngrow); + const amrex::Box cbox = amrex::grow(vbox, ngrow - 1); + const amrex::Box& dbox = geom.Domain(); + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(cbox); + if (typ != amrex::FabType::regular) { + amrex::Error("LES on a non-regular EB Fab is not available."); + } + if (typ == amrex::FabType::covered) { + continue; + } +#endif + + auto const& s = S.array(mfi); + int nqaux = NQAUX > 0 ? NQAUX : 1; + amrex::FArrayBox q(gbox, QVAR), qaux(gbox, nqaux); + amrex::Elixir qeli = q.elixir(); + amrex::Elixir qauxeli = qaux.elixir(); + auto const& q_ar = q.array(); + auto const& qauxar = qaux.array(); + + // Get primitives, Q, including (Y, T, p, rho) from conserved state + // required for L term + { + BL_PROFILE("PeleC::ctoprim()"); + amrex::ParallelFor( + gbox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_ctoprim(i, j, k, s, q_ar, qauxar); + }); + } + + // Get the tangential derivatives + amrex::FArrayBox tander_ec[AMREX_SPACEDIM]; + amrex::Elixir tander_eli[AMREX_SPACEDIM]; + const amrex::Box eboxes[AMREX_SPACEDIM] = {AMREX_D_DECL( + amrex::surroundingNodes(cbox, 0), amrex::surroundingNodes(cbox, 1), + amrex::surroundingNodes(cbox, 2))}; + amrex::GpuArray, AMREX_SPACEDIM> tanders; + { + BL_PROFILE("PeleC::pc_compute_tangential_vel_derivs()"); + amrex::Real d1, d2; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + tander_ec[dir].resize(eboxes[dir], GradUtils::nCompTan); + tander_eli[dir] = tander_ec[dir].elixir(); + tanders[dir] = tander_ec[dir].array(); + setV(eboxes[dir], GradUtils::nCompTan, tanders[dir], 0); + if (dir == 0) { + d1 = dx[1]; + d2 = dx[2]; + } else if (dir == 1) { + d1 = dx[0]; + d2 = dx[2]; + } else if (dir == 2) { + d1 = dx[0]; + d2 = dx[1]; + } + amrex::ParallelFor( + eboxes[dir], [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_compute_tangential_vel_derivs( + i, j, k, q_ar, dir, d1, d2, tanders[dir]); + }); + } + } + + // Compute extensive LES fluxes, F.A + amrex::FArrayBox flux_ec[AMREX_SPACEDIM]; + amrex::Elixir flux_eli[AMREX_SPACEDIM]; + const amrex::GpuArray< + const amrex::Array4, AMREX_SPACEDIM> + a{AMREX_D_DECL( + area[0].array(mfi), area[1].array(mfi), area[2].array(mfi))}; + amrex::GpuArray, AMREX_SPACEDIM> flx; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + flux_ec[dir].resize(eboxes[dir], NVAR); + flux_eli[dir] = flux_ec[0].elixir(); + flx[dir] = flux_ec[dir].array(); + setV(eboxes[dir], NVAR, flx[dir], 0); + } + { + BL_PROFILE("PeleC::pc_smagorinsky_sfs_term()"); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + amrex::Real Cs = PeleC::Cs; + amrex::Real CI = PeleC::CI; + amrex::Real PrT = PeleC::PrT; + amrex::ParallelFor( + eboxes[dir], [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_smagorinsky_sfs_term( + i, j, k, q_ar, tanders[dir], a[dir], dx[dir], dir, Cs, CI, PrT, + flx[dir]); + }); + } + } + + // Compute flux divergence (1/Vol).Div(F.A) + auto const& Lterm = LESTerm.array(mfi); + setV(vbox, NVAR, Lterm, 0.0); + { + BL_PROFILE("PeleC::pc_flux_div()"); + auto const& vol = volume.array(mfi); + amrex::ParallelFor( + vbox, NVAR, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + pc_flux_div( + i, j, k, n, AMREX_D_DECL(flx[0], flx[1], flx[2]), vol, Lterm); + }); + } + +#ifdef AMREX_USE_GPU + auto device = amrex::RunOn::Gpu; +#else + auto device = amrex::RunOn::Cpu; +#endif + if (do_reflux && flux_factor != 0) // no eb in problem + { + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + amrex::ParallelFor( + eboxes[dir], NVAR, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + flx[dir](i, j, k, n) *= flux_factor; + }); + } + + if (level < parent->finestLevel()) { + getFluxReg(level + 1).CrseAdd( + mfi, {AMREX_D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, dxDp, + dt, device); + } + + if (level > 0) { + getFluxReg(level).FineAdd( + mfi, {AMREX_D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, dxDp, + dt, device); + } + } + } // End of MFIter scope + } // End of OMP scope +#else + amrex::Abort("LES only implemented in 3D for now"); +#endif // End of AMREX_SPACEDIM == 3 +} + +/** + * Calculate the LES term using the dynamic Smagorinsky SFS model + **/ +void +PeleC::getDynamicSmagorinskyLESTerm( + amrex::Real time, + amrex::Real dt, + amrex::MultiFab& LESTerm, + amrex::Real flux_factor) +{ +#if AMREX_SPACEDIM == 3 + // clang-format off + /* + Note on the grow cells: + N + 0 (cbox) |-----> LESTerm + N + 0** (ebox) |-----> flux_ec, coeff_ec, alphaij_ec, alpha_ec, flux_T_ec + N + 1 (g4box) |------> filtered_coeff_cc [= LES_Coeffs] + N + 1 + nGrowC (g3box) |--------> coeff_cc, filtered_(K, RUT, alphaij, alpha, flux_T) + N + 1 + nGrowC + nGrowD (g2box) |----------> filtered_(S, Q, Qaux) + N + 1 + nGrowC + nGrowT (g1box) |-----------> K, RUT, alphaij, alpha, flux_T + N + 1 + nGrowC + nGrowT + nGrowD (g0box) |-------------> S, Q, Qaux + |----------------------------| + This is the number of grow cells on each side + + where + nGrowD = number of grow cells necessary for the diffusion operator + nGrowC = number of grow cells necessary for filtering the Smagorinsky coefficients + nGrowT = number of grow cells necessary for filtering the derived quantities (test level) + + ** Everything is calculated at cell centers (cc), then at the very end the coefficients and the stress terms (e.g. alpha_ij) + are moved to edge/faces centers (ec) to calculate the fluxes. ec quantities have length N+1 in the face-normal + direction and length N in the other two directions. + + */ + // clang-format on + Filter test_filter = Filter(les_test_filter_type, les_test_filter_fgr); + Filter coeff_filter = Filter(box, 6); + + const int nGrowD = 1; + const int nGrowC = coeff_filter.get_filter_ngrow(); + const int nGrowT = test_filter.get_filter_ngrow(); + + const amrex::GpuArray dx = geom.CellSizeArray(); + amrex::Real dx1 = dx[0]; + for (int dir = 1; dir < AMREX_SPACEDIM; ++dir) { + dx1 *= dx[dir]; + } + const amrex::GpuArray dxD = { + D_DECL(dx1, dx1, dx1)}; + const amrex::Real* dxDp = &(dxD[0]); + + // 1. Get state variable data + amrex::MultiFab S(grids, dmap, NVAR, nGrowD + nGrowC + nGrowT + 1); + FillPatch( + *this, S, nGrowD + nGrowC + nGrowT + 1, time, State_Type, 0, + NVAR); // FIXME: time+dt? + LES_Coeffs.setVal(0.0); + + // Fetch some gpu arrays + prefetchToDevice(S); + prefetchToDevice(LESTerm); + prefetchToDevice(LES_Coeffs); + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(S.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + { + for (amrex::MFIter mfi(S, amrex::TilingIfNotGPU()); mfi.isValid(); ++mfi) { + const amrex::Box vbox = mfi.tilebox(); + const amrex::Box g0box = amrex::grow(vbox, nGrowD + nGrowC + nGrowT + 1); + const amrex::Box g1box = amrex::grow(vbox, nGrowC + nGrowT + 1); + const amrex::Box g2box = amrex::grow(vbox, nGrowD + nGrowC + 1); + const amrex::Box g3box = amrex::grow(vbox, nGrowC + 1); + const amrex::Box g4box = amrex::grow(vbox, 1); + const amrex::Box cbox = amrex::grow(vbox, 0); + const amrex::Box& dbox = geom.Domain(); + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(cbox); + if (typ != amrex::FabType::regular) { + amrex::Error("LES on a non-regular EB Fab is not available."); + } + if (typ == amrex::FabType::covered) { + continue; + } +#endif + + auto const& s = S.array(mfi); + int nqaux = NQAUX > 0 ? NQAUX : 1; + amrex::FArrayBox q(g0box, QVAR), qaux(g0box, nqaux); + amrex::Elixir qeli = q.elixir(); + amrex::Elixir qauxeli = qaux.elixir(); + auto const& q_ar = q.array(); + auto const& qauxar = qaux.array(); + + // 1. Get primitives, Q, including (Y, T, p, rho) from conserved state + // required for L term + { + BL_PROFILE("PeleC::ctoprim()"); + amrex::ParallelFor( + g0box, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_ctoprim(i, j, k, s, q_ar, qauxar); + }); + } + + // 2. Get dynamic Smagorinsky derived quantities after setting the + // BC. These quantities need to be stored because we need to filter + // them at the test filter level. All are located at cell centers. + const int upper_triangle_n = + static_cast(0.5 * AMREX_SPACEDIM * (AMREX_SPACEDIM + 1)); + amrex::FArrayBox K, RUT, alphaij, alpha, flux_T; + K.resize(g1box, upper_triangle_n); + RUT.resize(g1box, AMREX_SPACEDIM); + alphaij.resize(g1box, AMREX_SPACEDIM * AMREX_SPACEDIM); + alpha.resize(g1box, 1); + flux_T.resize(g1box, AMREX_SPACEDIM); + amrex::Elixir K_eli = K.elixir(); + amrex::Elixir RUT_eli = RUT.elixir(); + amrex::Elixir alphaij_eli = alphaij.elixir(); + amrex::Elixir alpha_eli = alpha.elixir(); + amrex::Elixir flux_T_eli = flux_T.elixir(); + + auto const& K_ar = K.array(); + auto const& RUT_ar = RUT.array(); + auto const& alphaij_ar = alphaij.array(); + auto const& alpha_ar = alpha.array(); + auto const& flux_T_ar = flux_T.array(); + { + const int les_filter_fgr = PeleC::les_filter_fgr; + BL_PROFILE("PeleC::pc_smagorinsky_sfs_term()"); + amrex::ParallelFor( + g1box, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_dynamic_smagorinsky_quantities( + i, j, k, q_ar, les_filter_fgr, dx, K_ar, RUT_ar, alphaij_ar, + alpha_ar, flux_T_ar); + }); + } + + // 3. Filter the state variables and the derived quantities at the + // test filter level - still at cell centers + amrex::FArrayBox filtered_S, filtered_Q, filtered_Qaux, filtered_K, + filtered_RUT, filtered_alphaij, filtered_alpha, filtered_flux_T; + filtered_S.resize(g2box, NVAR); + filtered_Q.resize(g2box, QVAR); + filtered_Qaux.resize(g2box, NQAUX > 0 ? NQAUX : 1); + filtered_K.resize(g3box, upper_triangle_n); + filtered_RUT.resize(g3box, AMREX_SPACEDIM); + filtered_alphaij.resize(g3box, AMREX_SPACEDIM * AMREX_SPACEDIM); + filtered_alpha.resize(g3box, 1); + filtered_flux_T.resize(g3box, AMREX_SPACEDIM); + amrex::Elixir filtered_S_eli = filtered_S.elixir(); + amrex::Elixir filtered_Q_eli = filtered_Q.elixir(); + amrex::Elixir filtered_Qaux_eli = filtered_Qaux.elixir(); + amrex::Elixir filtered_K_eli = filtered_K.elixir(); + amrex::Elixir filtered_RUT_eli = filtered_RUT.elixir(); + amrex::Elixir filtered_alphaij_eli = filtered_alphaij.elixir(); + amrex::Elixir filtered_alpha_eli = filtered_alpha.elixir(); + amrex::Elixir filtered_flux_T_eli = filtered_flux_T.elixir(); + + auto const& filtered_S_ar = filtered_S.array(); + auto const& filtered_Q_ar = filtered_Q.array(); + auto const& filtered_Qaux_ar = filtered_Qaux.array(); + + const amrex::FArrayBox& Sfab = S[mfi]; + test_filter.apply_filter(g2box, Sfab, filtered_S); + { + BL_PROFILE("PeleC::ctoprim()"); + amrex::ParallelFor( + g2box, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_ctoprim(i, j, k, filtered_S_ar, filtered_Q_ar, filtered_Qaux_ar); + }); + } + test_filter.apply_filter(g3box, K, filtered_K); + test_filter.apply_filter(g3box, RUT, filtered_RUT); + test_filter.apply_filter(g3box, alphaij, filtered_alphaij); + test_filter.apply_filter(g3box, alpha, filtered_alpha); + test_filter.apply_filter(g3box, flux_T, filtered_flux_T); + + // 4. Calculate the dynamic Smagorinsky coefficients - still at cell + // centers + int do_harmonic = 1; + amrex::FArrayBox coeff_cc; + coeff_cc.resize(g3box, nCompC); + amrex::Elixir coeff_cc_eli = coeff_cc.elixir(); + auto const& coeff_cc_ar = coeff_cc.array(); + auto const& filtered_K_ar = filtered_K.array(); + auto const& filtered_RUT_ar = filtered_RUT.array(); + auto const& filtered_alphaij_ar = filtered_alphaij.array(); + auto const& filtered_alpha_ar = filtered_alpha.array(); + auto const& filtered_flux_T_ar = filtered_flux_T.array(); + { + const int les_test_filter_fgr = PeleC::les_test_filter_fgr; + BL_PROFILE("PeleC::pc_dynamic_smagorinsky_coeffs()"); + amrex::ParallelFor( + g3box, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_dynamic_smagorinsky_coeffs( + i, j, k, filtered_Q_ar, les_test_filter_fgr, dx, filtered_K_ar, + filtered_RUT_ar, filtered_alphaij_ar, filtered_alpha_ar, + filtered_flux_T_ar, coeff_cc_ar); + }); + } + + // 5. Filter to smooth the dynamic coefficients - still at cell + // centers + auto const& LES_Coeffs_ar = LES_Coeffs[mfi].array(); + coeff_filter.apply_filter(g4box, coeff_cc, LES_Coeffs[mfi]); + + // 6. Get the SFS term + + // First step: move everything needed to compute fluxes to ec (faces) + const amrex::Box eboxes[AMREX_SPACEDIM] = {AMREX_D_DECL( + amrex::surroundingNodes(cbox, 0), amrex::surroundingNodes(cbox, 1), + amrex::surroundingNodes(cbox, 2))}; + amrex::FArrayBox coeff_ec[AMREX_SPACEDIM], alphaij_ec[AMREX_SPACEDIM], + alpha_ec[AMREX_SPACEDIM], flux_T_ec[AMREX_SPACEDIM]; + amrex::Elixir coeff_ec_eli[AMREX_SPACEDIM], + alphaij_ec_eli[AMREX_SPACEDIM], alpha_ec_eli[AMREX_SPACEDIM], + flux_T_ec_eli[AMREX_SPACEDIM]; + amrex::GpuArray, AMREX_SPACEDIM> coeff_ec_arr; + amrex::GpuArray, AMREX_SPACEDIM> + alphaij_ec_arr; + amrex::GpuArray, AMREX_SPACEDIM> alpha_ec_arr; + amrex::GpuArray, AMREX_SPACEDIM> flux_T_ec_arr; + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + coeff_ec[dir].resize(eboxes[dir], nCompC); + alphaij_ec[dir].resize(eboxes[dir], AMREX_SPACEDIM); + alpha_ec[dir].resize(eboxes[dir], 1); + flux_T_ec[dir].resize(eboxes[dir], 1); + coeff_ec_arr[dir] = coeff_ec[dir].array(); + alphaij_ec_arr[dir] = alphaij_ec[dir].array(); + alpha_ec_arr[dir] = alpha_ec[dir].array(); + flux_T_ec_arr[dir] = flux_T_ec[dir].array(); + coeff_ec_eli[dir] = coeff_ec[dir].elixir(); + alphaij_ec_eli[dir] = alphaij_ec[dir].elixir(); + alpha_ec_eli[dir] = alpha_ec[dir].elixir(); + flux_T_ec_eli[dir] = flux_T_ec[dir].elixir(); + amrex::ParallelFor( + eboxes[dir], [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real c[nCompC] = {0.0}; + for (int n = 0; n < nCompC; n++) { + pc_move_transcoefs_to_ec( + i, j, k, n, LES_Coeffs_ar, c, dir, do_harmonic); + coeff_ec_arr[dir](i, j, k, n) = c[n]; + } + + amrex::Real aijc[AMREX_SPACEDIM * AMREX_SPACEDIM] = {0.0}; + for (int n = 0; n < AMREX_SPACEDIM; n++) { + pc_move_transcoefs_to_ec( + i, j, k, dir * AMREX_SPACEDIM + n, alphaij_ar, aijc, dir, + do_harmonic); + alphaij_ec_arr[dir](i, j, k, n) = aijc[dir * AMREX_SPACEDIM + n]; + } + + amrex::Real ac[1] = {0.0}; + pc_move_transcoefs_to_ec( + i, j, k, 0, alpha_ar, ac, dir, do_harmonic); + alpha_ec_arr[dir](i, j, k, 0) = ac[0]; + + amrex::Real tc[1] = {0.0}; + pc_move_transcoefs_to_ec( + i, j, k, 0, flux_T_ar, tc, dir, do_harmonic); + flux_T_ec_arr[dir](i, j, k, 0) = tc[0]; + }); + } + + // Compute the fluxes at the faces: all values passed are at faces + // except for Q, V, and Lterm + amrex::FArrayBox flux_ec[AMREX_SPACEDIM]; + amrex::Elixir flux_eli[AMREX_SPACEDIM]; + const amrex::GpuArray< + const amrex::Array4, AMREX_SPACEDIM> + a{AMREX_D_DECL( + area[0].array(mfi), area[1].array(mfi), area[2].array(mfi))}; + amrex::GpuArray, AMREX_SPACEDIM> flx; + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + flux_ec[dir].resize(eboxes[dir], NVAR); + flux_eli[dir] = flux_ec[dir].elixir(); + flx[dir] = flux_ec[dir].array(); + setV(eboxes[dir], NVAR, flx[dir], 0); + } + { + BL_PROFILE("PeleC::pc_dynamic_smagorinsky_sfs_term()"); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + amrex::ParallelFor( + eboxes[dir], [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_dynamic_smagorinsky_sfs_term( + i, j, k, q_ar, alphaij_ec_arr[dir], alpha_ec_arr[dir], + flux_T_ec_arr[dir], coeff_ec_arr[dir], a[dir], dir, flx[dir]); + }); + } + } + + // Compute flux divergence (1/Vol).Div(F.A) + auto const& Lterm = LESTerm.array(mfi); + setV(vbox, NVAR, Lterm, 0.0); + { + BL_PROFILE("PeleC::pc_flux_div()"); + auto const& vol = volume.array(mfi); + amrex::ParallelFor( + vbox, NVAR, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + pc_flux_div( + i, j, k, n, AMREX_D_DECL(flx[0], flx[1], flx[2]), vol, Lterm); + }); + } + +#ifdef AMREX_USE_GPU + auto device = amrex::RunOn::Gpu; +#else + auto device = amrex::RunOn::Cpu; +#endif + if (do_reflux && flux_factor != 0) // no eb in problem + { + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + amrex::ParallelFor( + eboxes[dir], NVAR, + [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + flx[dir](i, j, k, n) *= flux_factor; + }); + } + + if (level < parent->finestLevel()) { + getFluxReg(level + 1).CrseAdd( + mfi, {AMREX_D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, dxDp, + dt, device); + } + + if (level > 0) { + getFluxReg(level).FineAdd( + mfi, {AMREX_D_DECL(&flux_ec[0], &flux_ec[1], &flux_ec[2])}, dxDp, + dt, device); + } + } + } // End of MFIter scope + } // End of OMP scope +#else + amrex::Abort("LES only implemented in 3D for now"); +#endif // End of AMREX_SPACEDIM == 3 +} diff --git a/SourceCpp/MMS.cpp b/SourceCpp/MMS.cpp new file mode 100644 index 000000000..9b69007b1 --- /dev/null +++ b/SourceCpp/MMS.cpp @@ -0,0 +1,130 @@ +#ifdef _OPENMP +#include +#endif + +#include + +#include "PeleC.H" +#include "IndexDefines.H" + +using std::string; +using namespace MASA; + +void +PeleC::construct_old_mms_source(amrex::Real time) +{ + auto& S_old = get_old_data(State_Type); + + int ng = 0; // None filled + + old_sources[mms_src]->setVal(0.0); + + fill_mms_source(time, S_old, *old_sources[mms_src], ng); + + old_sources[mms_src]->FillBoundary(geom.periodicity()); +} + +void +PeleC::construct_new_mms_source(amrex::Real time) +{ + auto& S_old = get_old_data(State_Type); + + int ng = 0; + + new_sources[mms_src]->setVal(0.0); + + fill_mms_source(time, S_old, *new_sources[mms_src], ng); +} + +void +PeleC::fill_mms_source( + amrex::Real time, const amrex::MultiFab& S, amrex::MultiFab& mms_src, int ng) +{ + BL_PROFILE("PeleC::fill_mms_source()"); + + if (do_mms == 0) { + return; + } + + else if (mms_src_evaluated) { + if (verbose && amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "... Reusing MMS source at time " << time << std::endl; + } + amrex::MultiFab::Copy(mms_src, mms_source, 0, 0, NVAR, ng); + return; + } + + else { + if (verbose && amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "... Computing MMS source at time " << time + << std::endl; + } + +#ifdef PELEC_USE_MASA + + // Store the source for later reuse + mms_source.define(grids, dmap, NVAR, ng); + mms_source.setVal(0.0); + + const amrex::GpuArray dx = + geom.CellSizeArray(); + const amrex::GpuArray prob_lo = + geom.ProbLoArray(); + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(S.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + + // FIXME: Reuse fillpatched data used for adv and diff... + amrex::FillPatchIterator fpi( + *this, mms_source, ng, time, State_Type, 0, NVAR); + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + { + for (amrex::MFIter mfi(mms_source, amrex::TilingIfNotGPU()); + mfi.isValid(); ++mfi) { + const amrex::Box& bx = mfi.growntilebox(ng); + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(bx); + if (typ == amrex::FabType::covered) { + continue; + } +#endif + + auto const& s = S.array(mfi); + auto const& src = mms_source.array(mfi); + + // Evaluate the source using MASA + amrex::ParallelFor( + bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + src(i, j, k, URHO) = masa_eval_3d_source_rho(x, y, z); + src(i, j, k, UMX) = masa_eval_3d_source_rho_u(x, y, z); + src(i, j, k, UMY) = masa_eval_3d_source_rho_v(x, y, z); + src(i, j, k, UMZ) = masa_eval_3d_source_rho_w(x, y, z); + src(i, j, k, UEDEN) = masa_eval_3d_source_rho_e(x, y, z); + for (int n = 0; n < NUM_SPECIES; n++) { + src(i, j, k, UFS + n) = src(i, j, k, URHO) * s(i, j, k, UFS + n) / + masa_eval_3d_exact_rho(x, y, z); + } + }); + } + } + + amrex::MultiFab::Copy(mms_src, mms_source, 0, 0, NVAR, ng); + mms_src_evaluated = true; + +#else + amrex::Error("MASA is not turned on. Turn on with PELEC_USE_MASA=TRUE."); +#endif + } +} diff --git a/SourceCpp/MOL.H b/SourceCpp/MOL.H new file mode 100644 index 000000000..ba8a676f3 --- /dev/null +++ b/SourceCpp/MOL.H @@ -0,0 +1,123 @@ +#ifndef _MOL_H_ +#define _MOL_H_ + +#ifdef PELEC_USE_EB +#include +#endif + +#include "Diffterm.H" +#include "IndexDefines.H" +#include "PeleC.H" +#include "EOS.H" +#include "Riemann.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +mol_slope( + const int i, + const int j, + const int k, + const amrex::GpuArray bdim, + const amrex::GpuArray q_idx, + const amrex::Array4& q, + const amrex::Array4& qaux, + const amrex::Array4& dq +#ifdef PELEC_USE_EB + , + const amrex::Array4& flags +#endif +) +{ + bool flagArrayL = true; + bool flagArrayR = true; +#ifdef PELEC_USE_EB + flagArrayL = flags(i, j, k).isConnected(-bdim[0], -bdim[1], -bdim[2]) and + !flags(i, j, k).isCovered(); + flagArrayR = flags(i, j, k).isConnected(+bdim[0], +bdim[1], +bdim[2]) and + !flags(i, j, k).isCovered(); +#endif + + amrex::Real dlft[QVAR] = {0.0}; + amrex::Real drgt[QVAR] = {0.0}; + const int im = i - bdim[0]; + const int jm = j - bdim[1]; + const int km = k - bdim[2]; + const int ip = i + bdim[0]; + const int jp = j + bdim[1]; + const int kp = k + bdim[2]; + + dlft[0] = flagArrayL ? 0.5 * (q(i, j, k, QPRES) - q(im, jm, km, QPRES)) / + qaux(i, j, k, QC) - + 0.5 * q(i, j, k, QRHO) * + (q(i, j, k, q_idx[0]) - q(im, jm, km, q_idx[0])) + : 0.0; + dlft[1] = flagArrayL ? 0.5 * (q(i, j, k, QPRES) - q(im, jm, km, QPRES)) / + qaux(i, j, k, QC) + + 0.5 * q(i, j, k, QRHO) * + (q(i, j, k, q_idx[0]) - q(im, jm, km, q_idx[0])) + : 0.0; + dlft[2] = flagArrayL ? q(i, j, k, q_idx[1]) - q(im, jm, km, q_idx[1]) : 0.0; + dlft[3] = flagArrayL ? q(i, j, k, q_idx[2]) - q(im, jm, km, q_idx[2]) : 0.0; + + drgt[0] = flagArrayR ? 0.5 * (q(ip, jp, kp, QPRES) - q(i, j, k, QPRES)) / + qaux(i, j, k, QC) - + 0.5 * q(i, j, k, QRHO) * + (q(ip, jp, kp, q_idx[0]) - q(i, j, k, q_idx[0])) + : 0.0; + drgt[1] = flagArrayR ? 0.5 * (q(ip, jp, kp, QPRES) - q(i, j, k, QPRES)) / + qaux(i, j, k, QC) + + 0.5 * q(i, j, k, QRHO) * + (q(ip, jp, kp, q_idx[0]) - q(i, j, k, q_idx[0])) + : 0.0; + drgt[2] = flagArrayR ? q(ip, jp, kp, q_idx[1]) - q(i, j, k, q_idx[1]) : 0.0; + drgt[3] = flagArrayR ? q(ip, jp, kp, q_idx[2]) - q(i, j, k, q_idx[2]) : 0.0; + + for (int n = 0; n < NUM_SPECIES; n++) { + dlft[4 + n] = flagArrayL ? q(i, j, k, QRHO) * q(i, j, k, QFS + n) - + q(im, jm, km, QRHO) * q(im, jm, km, QFS + n) - + q(i, j, k, QFS + n) * + (q(i, j, k, QPRES) - q(im, jm, km, QPRES)) / + (qaux(i, j, k, QC) * qaux(i, j, k, QC)) + : 0.0; + drgt[4 + n] = flagArrayR ? q(ip, jp, kp, QRHO) * q(ip, jp, kp, QFS + n) - + q(i, j, k, QRHO) * q(i, j, k, QFS + n) - + q(i, j, k, QFS + n) * + (q(ip, jp, kp, QPRES) - q(i, j, k, QPRES)) / + (qaux(i, j, k, QC) * qaux(i, j, k, QC)) + : 0.0; + } + + for (int n = 0; n < QVAR; n++) { + const amrex::Real dcen = 0.5 * (dlft[n] + drgt[n]); + const amrex::Real dlim = + dlft[n] * drgt[n] >= 0.0 + ? 2.0 * amrex::min(amrex::Math::abs(dlft[n]), amrex::Math::abs(drgt[n])) + : 0.0; + dq(i, j, k, n) = amrex::Math::copysign(1.0, dcen) * + amrex::min(dlim, amrex::Math::abs(dcen)); + } +} + +void pc_compute_hyp_mol_flux( + const amrex::Box& cbox, + const amrex::Array4& q, + const amrex::Array4& qaux, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + const amrex::GpuArray del, + const int plm_iorder +#ifdef PELEC_USE_EB + , + const amrex::Real eb_small_vfrac, + const amrex::Array4& vfrac, + const amrex::Array4& flags, + const EBBndryGeom* ebg, + const int Nebg, + amrex::Real* ebflux, + const int nebflux +#endif +); + +#endif diff --git a/SourceCpp/MOL.cpp b/SourceCpp/MOL.cpp new file mode 100644 index 000000000..e984f2528 --- /dev/null +++ b/SourceCpp/MOL.cpp @@ -0,0 +1,334 @@ +#include "MOL.H" + +void +pc_compute_hyp_mol_flux( + const amrex::Box& cbox, + const amrex::Array4& q, + const amrex::Array4& qaux, + const amrex::GpuArray, AMREX_SPACEDIM> flx, + const amrex::GpuArray, AMREX_SPACEDIM> + a, + const amrex::GpuArray del, + const int plm_iorder +#ifdef PELEC_USE_EB + , + const amrex::Real eb_small_vfrac, + const amrex::Array4& vfrac, + const amrex::Array4& flags, + const EBBndryGeom* ebg, + const int Nebg, + amrex::Real* ebflux, + const int nebflux +#endif +) +{ + const int R_RHO = 0; + const int R_UN = 1; + const int R_UT1 = 2; + const int R_UT2 = 3; + const int R_P = 4; + const int R_Y = 5; + const int bc_test_val = 1; + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + amrex::FArrayBox dq_fab(cbox, QVAR); + amrex::Elixir dq_fab_eli = dq_fab.elixir(); + auto const& dq = dq_fab.array(); + setV(cbox, QVAR, dq, 0.0); + + // dimensional indexing + const amrex::GpuArray bdim{dir == 0, dir == 1, dir == 2}; + const amrex::GpuArray q_idx{ + bdim[0] * QU + bdim[1] * QV + bdim[2] * QW, + bdim[0] * QV + bdim[1] * QU + bdim[2] * QU, + bdim[0] * QW + bdim[1] * QW + bdim[2] * QV}; + const amrex::GpuArray f_idx{ + bdim[0] * UMX + bdim[1] * UMY + bdim[2] * UMZ, + bdim[0] * UMY + bdim[1] * UMX + bdim[2] * UMX, + bdim[0] * UMZ + bdim[1] * UMZ + bdim[2] * UMY}; + + if (plm_iorder != 1) { + amrex::ParallelFor( + cbox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + mol_slope( + i, j, k, bdim, q_idx, q, qaux, dq +#ifdef PELEC_USE_EB + , + flags +#endif + ); + }); + } + const amrex::Box tbox = amrex::grow(cbox, -1); + const amrex::Box ebox = amrex::surroundingNodes(tbox, dir); + amrex::ParallelFor( + ebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const int ii = i - bdim[0]; + const int jj = j - bdim[1]; + const int kk = k - bdim[2]; + + amrex::Real qtempl[5 + NUM_SPECIES] = {0.0}; + qtempl[R_UN] = + q(ii, jj, kk, q_idx[0]) + + 0.5 * ((dq(ii, jj, kk, 1) - dq(ii, jj, kk, 0)) / q(ii, jj, kk, QRHO)); + qtempl[R_P] = + q(ii, jj, kk, QPRES) + + 0.5 * (dq(ii, jj, kk, 0) + dq(ii, jj, kk, 1)) * qaux(ii, jj, kk, QC); + qtempl[R_UT1] = q(ii, jj, kk, q_idx[1]) + 0.5 * dq(ii, jj, kk, 2); + qtempl[R_UT2] = q(ii, jj, kk, q_idx[2]) + 0.5 * dq(ii, jj, kk, 3); + qtempl[R_RHO] = 0.0; + for (int n = 0; n < NUM_SPECIES; n++) { + qtempl[R_Y + n] = q(ii, jj, kk, QFS + n) * q(ii, jj, kk, QRHO) + + 0.5 * (dq(ii, jj, kk, 4 + n) + + q(ii, jj, kk, QFS + n) * + (dq(ii, jj, kk, 0) + dq(ii, jj, kk, 1)) / + qaux(ii, jj, kk, QC)); + qtempl[R_RHO] += qtempl[R_Y + n]; + } + + for (int n = 0; n < NUM_SPECIES; n++) { + qtempl[R_Y + n] = qtempl[R_Y + n] / qtempl[R_RHO]; + } + + amrex::Real qtempr[5 + NUM_SPECIES] = {0.0}; + qtempr[R_UN] = + q(i, j, k, q_idx[0]) - + 0.5 * ((dq(i, j, k, 1) - dq(i, j, k, 0)) / q(i, j, k, QRHO)); + qtempr[R_P] = q(i, j, k, QPRES) - 0.5 * + (dq(i, j, k, 0) + dq(i, j, k, 1)) * + qaux(i, j, k, QC); + qtempr[R_UT1] = q(i, j, k, q_idx[1]) - 0.5 * dq(i, j, k, 2); + qtempr[R_UT2] = q(i, j, k, q_idx[2]) - 0.5 * dq(i, j, k, 3); + qtempr[R_RHO] = 0.0; + for (int n = 0; n < NUM_SPECIES; n++) { + qtempr[R_Y + n] = + q(i, j, k, QFS + n) * q(i, j, k, QRHO) - + 0.5 * (dq(i, j, k, 4 + n) + q(i, j, k, QFS + n) * + (dq(i, j, k, 0) + dq(i, j, k, 1)) / + qaux(i, j, k, QC)); + qtempr[R_RHO] += qtempr[R_Y + n]; + } + for (int n = 0; n < NUM_SPECIES; n++) { + qtempr[R_Y + n] = qtempr[R_Y + n] / qtempr[R_RHO]; + } + + const amrex::Real cavg = + 0.5 * (qaux(i, j, k, QC) + qaux(ii, jj, kk, QC)); + const amrex::Real csmall = + amrex::min(qaux(i, j, k, QCSML), qaux(ii, jj, kk, QCSML)); + + amrex::Real eos_state_rho, eos_state_p, eos_state_e, eos_state_cs, + eos_state_gamma, eos_state_T; + + eos_state_rho = qtempl[R_RHO]; + eos_state_p = qtempl[R_P]; + amrex::Real spl[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; n++) { + spl[n] = qtempl[R_Y + n]; + } + EOS::RYP2T(eos_state_rho, spl, eos_state_p, eos_state_T); + EOS::RYP2E(eos_state_rho, spl, eos_state_p, eos_state_e); + EOS::TY2G(eos_state_T, spl, eos_state_gamma); + EOS::RPY2Cs(eos_state_rho, eos_state_p, spl, eos_state_cs); + const amrex::Real rhoe_l = eos_state_rho * eos_state_e; + const amrex::Real gamc_l = eos_state_gamma; + + eos_state_rho = qtempr[R_RHO]; + eos_state_p = qtempr[R_P]; + amrex::Real spr[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; n++) { + spr[n] = qtempr[R_Y + n]; + } + EOS::RYP2T(eos_state_rho, spr, eos_state_p, eos_state_T); + EOS::RYP2E(eos_state_rho, spr, eos_state_p, eos_state_e); + EOS::TY2G(eos_state_T, spr, eos_state_gamma); + EOS::RPY2Cs(eos_state_rho, eos_state_p, spr, eos_state_cs); + const amrex::Real rhoe_r = eos_state_rho * eos_state_e; + const amrex::Real gamc_r = eos_state_gamma; + + amrex::Real flux_tmp[NVAR] = {0.0}; + amrex::Real ustar = 0.0; + + amrex::Real tmp0, tmp1, tmp2, tmp3, tmp4; + riemann( + qtempl[R_RHO], qtempl[R_UN], qtempl[R_UT1], qtempl[R_UT2], + qtempl[R_P], rhoe_l, spl, gamc_l, qtempr[R_RHO], qtempr[R_UN], + qtempr[R_UT1], qtempr[R_UT2], qtempr[R_P], rhoe_r, spr, gamc_r, + bc_test_val, csmall, cavg, ustar, flux_tmp[URHO], flux_tmp[f_idx[0]], + flux_tmp[f_idx[1]], flux_tmp[f_idx[2]], flux_tmp[UEDEN], + flux_tmp[UEINT], tmp0, tmp1, tmp2, tmp3, tmp4); + + for (int n = 0; n < NUM_SPECIES; n++) { + flux_tmp[UFS + n] = (ustar > 0.0) ? flux_tmp[URHO] * qtempl[R_Y + n] + : flux_tmp[URHO] * qtempr[R_Y + n]; + flux_tmp[UFS + n] = + (ustar == 0.0) + ? flux_tmp[URHO] * 0.5 * (qtempl[R_Y + n] + qtempr[R_Y + n]) + : flux_tmp[UFS + n]; + } + + flux_tmp[UTEMP] = 0.0; + for (int n = UFX; n < UFX + NUM_AUX; n++) { + flux_tmp[n] = (NUM_AUX > 0) ? 0.0 : flux_tmp[n]; + } + for (int n = UFA; n < UFA + NUM_ADV; n++) { + flux_tmp[n] = (NUM_ADV > 0) ? 0.0 : flux_tmp[n]; + } + + for (int ivar = 0; ivar < NVAR; ivar++) { + flx[dir](i, j, k, ivar) += flux_tmp[ivar] * a[dir](i, j, k); + } + }); + } + +#ifdef PELEC_USE_EB + // nextra was 3 for EB in PeleC but we are operating on a different + // box here, so this should be zero. + const int nextra = 0; + + const amrex::Real full_area = std::pow(del[0], AMREX_SPACEDIM - 1); + const auto lo = amrex::lbound(cbox); + const auto hi = amrex::ubound(cbox); + + const amrex::Real captured_eb_small_vfrac = eb_small_vfrac; + amrex::ParallelFor(nebflux, [=] AMREX_GPU_DEVICE(int L) { + const int i = ebg[L].iv[0]; + const int j = ebg[L].iv[1]; + const int k = ebg[L].iv[2]; + amrex::Real qtempl[5 + NUM_SPECIES] = {0.0}; + amrex::Real qtempr[5 + NUM_SPECIES] = {0.0}; + amrex::Real cavg = 0.0, csmall = 0.0, cspeed = 0.0, rhoe_l = 0.0, + gamc_l = 0.0; + amrex::Real spl[NUM_SPECIES] = {0.0}; + amrex::Real flux_tmp[NVAR] = {0.0}; + amrex::Real ebnorm[AMREX_SPACEDIM] = {AMREX_D_DECL( + ebg[L].eb_normal[0], ebg[L].eb_normal[1], ebg[L].eb_normal[2])}; + const amrex::Real ebnorm_mag = std::sqrt( + ebnorm[0] * ebnorm[0] + ebnorm[1] * ebnorm[1] + ebnorm[2] * ebnorm[2]); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + ebnorm[dir] /= ebnorm_mag; + } + if (is_inside(i, j, k, lo, hi, nextra)) { + if (vfrac(i, j, k) < captured_eb_small_vfrac) { + amrex::Real sum_kappa = 0.0, sum_nbrs_qc = 0.0, sum_nbrs_qcsmall = 0.0, + sum_nbrs_qu = 0.0, sum_nbrs_qv = 0.0, sum_nbrs_qw = 0.0, + sum_nbrs_qp = 0.0, sum_nbrs_qr = 0.0, + sum_nbrs_sp[NUM_SPECIES] = {0.0}; + for (int ii = -1; ii <= 1; ii++) { +#if AMREX_SPACEDIM > 1 + for (int jj = -1; jj <= 1; jj++) { +#if AMREX_SPACEDIM == 3 + for (int kk = -1; kk <= 1; kk++) { +#endif +#endif + int nbr = flags(i, j, k).isConnected(ii, jj, kk); + if ((ii == 0) and (jj == 0) and (kk == 0)) { + nbr = 0; + } + sum_kappa += nbr * vfrac(i + ii, j + jj, k + kk); + sum_nbrs_qc += nbr * vfrac(i + ii, j + jj, k + kk) * + qaux(i + ii, j + jj, k + kk, QC); + sum_nbrs_qcsmall += nbr * vfrac(i + ii, j + jj, k + kk) * + qaux(i + ii, j + jj, k + kk, QCSML); + sum_nbrs_qu += nbr * vfrac(i + ii, j + jj, k + kk) * + q(i + ii, j + jj, k + kk, QU); + sum_nbrs_qv += nbr * vfrac(i + ii, j + jj, k + kk) * + q(i + ii, j + jj, k + kk, QV); + sum_nbrs_qw += nbr * vfrac(i + ii, j + jj, k + kk) * + q(i + ii, j + jj, k + kk, QW); + sum_nbrs_qp += nbr * vfrac(i + ii, j + jj, k + kk) * + q(i + ii, j + jj, k + kk, QPRES); + sum_nbrs_qr += nbr * vfrac(i + ii, j + jj, k + kk) * + q(i + ii, j + jj, k + kk, QRHO); + for (int n = 0; n < NUM_SPECIES; n++) { + sum_nbrs_sp[n] += nbr * vfrac(i + ii, j + jj, k + kk) * + q(i + ii, j + jj, k + kk, QFS + n); + } +#if AMREX_SPACEDIM > 1 +#if AMREX_SPACEDIM == 3 + } +#endif + } +#endif + } + qtempl[R_UN] = 0.0; + qtempl[R_UN] -= (sum_nbrs_qu * ebnorm[0] + sum_nbrs_qv * ebnorm[1] + + sum_nbrs_qw * ebnorm[2]) / + sum_kappa; + qtempl[R_UT1] = 0.0; + qtempl[R_UT2] = 0.0; + qtempl[R_P] = sum_nbrs_qp / sum_kappa; + qtempl[R_RHO] = sum_nbrs_qr / sum_kappa; + for (int n = 0; n < NUM_SPECIES; n++) { + qtempl[R_Y + n] = sum_nbrs_sp[n] / sum_kappa; + } + cavg = sum_nbrs_qc / sum_kappa; + csmall = sum_nbrs_qcsmall / sum_kappa; + cspeed = cavg; + + // Flip the velocity about the normal for the right state - will use + // left state for remainder of right state + qtempr[R_UN] = -1.0 * qtempl[R_UN]; + + } else { + // Assume left state is the cell centered state - normal velocity + qtempl[R_UN] = + -(q(i, j, k, QU) * ebnorm[0] + q(i, j, k, QV) * ebnorm[1] + + q(i, j, k, QW) * ebnorm[2]); + qtempl[R_UT1] = 0.0; + qtempl[R_UT2] = 0.0; + qtempl[R_P] = q(i, j, k, QPRES); + qtempl[R_RHO] = q(i, j, k, QRHO); + for (int n = 0; n < NUM_SPECIES; n++) { + qtempl[R_Y + n] = q(i, j, k, QFS + n); + } + cavg = qaux(i, j, k, QC); + csmall = qaux(i, j, k, QCSML); + cspeed = qaux(i, j, k, QC); + + // Flip the velocity about the normal for the right state - will use + // left state for remainder of right state + qtempr[R_UN] = -1.0 * qtempl[R_UN]; + } + + amrex::Real eos_state_rho = qtempl[R_RHO]; + amrex::Real eos_state_p = qtempl[R_P]; + for (int n = 0; n < NUM_SPECIES; n++) { + spl[n] = qtempl[R_Y + n]; + } + amrex::Real eos_state_e; + EOS::RYP2E(eos_state_rho, spl, eos_state_p, eos_state_e); + rhoe_l = eos_state_rho * eos_state_e; + amrex::Real eos_state_T; + EOS::RYP2T(eos_state_rho, spl, eos_state_p, eos_state_T); + EOS::TY2G(eos_state_T, spl, gamc_l); + } + + if (is_inside(i, j, k, lo, hi, nextra - 1)) { + amrex::Real tmp0, tmp1, tmp2, tmp3, tmp4, ustar = 0.0; + riemann( + qtempl[R_RHO], qtempl[R_UN], qtempl[R_UT1], qtempl[R_UT2], qtempl[R_P], + rhoe_l, spl, gamc_l, qtempl[R_RHO], qtempr[R_UN], qtempl[R_UT1], + qtempl[R_UT2], qtempl[R_P], rhoe_l, spl, gamc_l, bc_test_val, csmall, + cavg, ustar, flux_tmp[URHO], flux_tmp[UMX], flux_tmp[UMY], + flux_tmp[UMZ], flux_tmp[UEDEN], flux_tmp[UEINT], tmp0, tmp1, tmp2, tmp3, + tmp4); + + flux_tmp[UMY] = -flux_tmp[UMX] * ebnorm[1]; + flux_tmp[UMZ] = -flux_tmp[UMX] * ebnorm[2]; + flux_tmp[UMX] = -flux_tmp[UMX] * ebnorm[0]; + + // Compute species flux like passive scalar from intermediate state + for (int n = 0; n < NUM_SPECIES; n++) { + flux_tmp[UFS + n] = flux_tmp[URHO] * qtempl[R_Y + n]; + } + + // Copy result into ebflux vector. Being a bit chicken here and only + // copy values where ebg % iv is within box + for (int n = 0; n < NVAR; n++) { + ebflux[n * nebflux + L] += flux_tmp[n] * ebg[L].eb_area * full_area; + } + } + }); +#endif +} diff --git a/SourceCpp/Make.package b/SourceCpp/Make.package new file mode 100644 index 000000000..b831a2b7c --- /dev/null +++ b/SourceCpp/Make.package @@ -0,0 +1,70 @@ +#C++ files +CEXE_sources += PeleC.cpp +CEXE_sources += Advance.cpp +CEXE_sources += Derive.cpp +CEXE_sources += Bld.cpp +CEXE_sources += BCfill.cpp +CEXE_sources += Hydro.cpp +CEXE_sources += GradUtil.cpp +CEXE_sources += IO.cpp +CEXE_sources += Sources.cpp +CEXE_sources += Setup.cpp +CEXE_sources += main.cpp +CEXE_sources += SumIQ.cpp +CEXE_sources += SumUtils.cpp +CEXE_sources += Timestep.cpp +CEXE_sources += IndexDefines.cpp +CEXE_sources += Tagging.cpp +CEXE_sources += Diffterm.cpp +CEXE_sources += Diffusion.cpp +CEXE_sources += PLM.cpp +CEXE_sources += Utilities.cpp +CEXE_sources += Transport.cpp +CEXE_sources += MOL.cpp +CEXE_sources += Filter.cpp +CEXE_sources += External.cpp +CEXE_sources += Forcing.cpp +CEXE_sources += LES.cpp + +#C++ headers +CEXE_headers += PeleC.H +CEXE_headers += IO.H +CEXE_headers += Problem.H +CEXE_headers += ProblemDerive.H +CEXE_headers += Constants.H +CEXE_headers += Hydro.H +CEXE_headers += Timestep.H +CEXE_headers += IndexDefines.H +CEXE_headers += Diffterm.H +CEXE_headers += Diffusion.H +CEXE_headers += GradUtil.H +CEXE_headers += PLM.H +CEXE_headers += Utilities.H +CEXE_headers += Transport.H +CEXE_headers += MOL.H +CEXE_headers += Filter.H +CEXE_headers += Riemann.H +CEXE_headers += Forcing.H +CEXE_headers += LES.H + +#Source file logic +ifeq ($(USE_EB), TRUE) + CEXE_sources += EB.cpp + CEXE_sources += InitEB.cpp + CEXE_headers += EB.H + CEXE_headers += SparseData.H + CEXE_headers += EBStencilTypes.H +endif + +ifeq ($(USE_PARTICLES), TRUE) + CEXE_sources += Particle.cpp +endif + +ifeq ($(USE_REACT), TRUE) + CEXE_sources += React.cpp + CEXE_headers += React.H +endif + +ifeq ($(USE_MASA), TRUE) + CEXE_sources += MMS.cpp +endif diff --git a/SourceCpp/PLM.H b/SourceCpp/PLM.H new file mode 100644 index 000000000..0aa8c5415 --- /dev/null +++ b/SourceCpp/PLM.H @@ -0,0 +1,2104 @@ +#ifndef _PLM_H_ +#define _PLM_H_ + +#include + +#include +#include + +#include "Constants.H" +#include "IndexDefines.H" +#include "EOS.H" +#include "Riemann.H" + +/*This header file contains functions and declarations for the 3D hydro portion + of PeleC cuda. As per the convention of AMReX, inlined functions are defined + here. Where as non-inline functions are declared here. */ + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +amrex::Real +plm_slope( + const int i, + const int j, + const int k, + const int n, + const int dir, + amrex::Array4 const& q) +{ + const int bdim[3] = {dir == 0, dir == 1, dir == 2}; + + amrex::Real dlft, drgt, dcen, dfm, dfp, dlim, dsgn, dtemp; + const amrex::Real qc = q(i, j, k, n); + const amrex::Real qm = + q(i - 1 * bdim[0], j - 1 * bdim[1], k - 1 * bdim[2], n); + const amrex::Real qp = + q(i + 1 * bdim[0], j + 1 * bdim[1], k + 1 * bdim[2], n); + + dlft = qm - q(i - 2 * bdim[0], j - 2 * bdim[1], k - 2 * bdim[2], n); + drgt = qc - qm; + dcen = 0.5 * (dlft + drgt); + dsgn = amrex::Math::copysign(1.0, dcen); + dlim = (dlft * drgt >= 0.0) + ? 2.0 * amrex::min(amrex::Math::abs(dlft), amrex::Math::abs(drgt)) + : 0.0; + dfm = dsgn * amrex::min(dlim, amrex::Math::abs(dcen)); + + dlft = qp - qc; + drgt = q(i + 2 * bdim[0], j + 2 * bdim[1], k + 2 * bdim[2], n) - qp; + dcen = 0.5 * (dlft + drgt); + dsgn = amrex::Math::copysign(1.0, dcen); + dlim = (dlft * drgt >= 0.0) + ? 2.0 * amrex::min(amrex::Math::abs(dlft), amrex::Math::abs(drgt)) + : 0.0; + dfp = dsgn * amrex::min(dlim, amrex::Math::abs(dcen)); + + dlft = qc - qm; + drgt = qp - qc; + dcen = 0.5 * (dlft + drgt); + dsgn = amrex::Math::copysign(1.0, dcen); + dlim = (dlft * drgt >= 0.0) + ? 2.0 * amrex::min(amrex::Math::abs(dlft), amrex::Math::abs(drgt)) + : 0.0; + dcen = dsgn * amrex::min(dlim, amrex::Math::abs(dcen)); + + dtemp = 4.0 / 3.0 * dcen - 1.0 / 6.0 * (dfp + dfm); + // flattening can go here. + return dsgn * amrex::min(dlim, amrex::Math::abs(dtemp)); +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_cmpflx( + const int i, + const int j, + const int k, + const int bclo, + const int bchi, + const int domlo, + const int domhi, + amrex::Array4 const& ql, + amrex::Array4 const& qr, + amrex::Array4 const& flx, + amrex::Array4 const& q, + amrex::Array4 const& qa, + // amrex::Array4 const& bcMask, + const int dir) +{ + amrex::Real cav, ustar; + amrex::Real spl[NUM_SPECIES]; + amrex::Real spr[NUM_SPECIES]; + amrex::Real ul, ur, vl, vr, v2l, v2r, rel, rer, gamcl, gamcr; + int idx; + int IU, IV, IV2; + int GU, GV, GV2; + int f_idx[3]; + if (dir == 0) { + IU = QU; + IV = QV; + IV2 = QW; + GU = GDU; + GV = GDV; + GV2 = GDW; + gamcl = qa(i - 1, j, k, QGAMC); + gamcr = qa(i, j, k, QGAMC); + cav = 0.5 * (qa(i, j, k, QC) + qa(i - 1, j, k, QC)); + f_idx[0] = UMX; + f_idx[1] = UMY; + f_idx[2] = UMZ; + } else if (dir == 1) { + IU = QV; + IV = QU; + IV2 = QW; + GU = GDV; + GV = GDU; + GV2 = GDW; + gamcl = qa(i, j - 1, k, QGAMC); + gamcr = qa(i, j, k, QGAMC); + cav = 0.5 * (qa(i, j, k, QC) + qa(i, j - 1, k, QC)); + f_idx[0] = UMY; + f_idx[1] = UMX; + f_idx[2] = UMZ; + } else { + IU = QW; + IV = QU; + IV2 = QV; + GU = GDW; + GV = GDU; + GV2 = GDV; + gamcl = qa(i, j, k - 1, QGAMC); + gamcr = qa(i, j, k, QGAMC); + cav = 0.5 * (qa(i, j, k, QC) + qa(i, j, k - 1, QC)); + f_idx[0] = UMZ; + f_idx[1] = UMX; + f_idx[2] = UMY; + } + + for (int sp = 0; sp < NUM_SPECIES; ++sp) { + spl[sp] = ql(i, j, k, QFS + sp); + spr[sp] = qr(i, j, k, QFS + sp); + } + ul = ql(i, j, k, IU); + vl = ql(i, j, k, IV); + v2l = ql(i, j, k, IV2); + rel = ql(i, j, k, QREINT); + + ur = qr(i, j, k, IU); + vr = qr(i, j, k, IV); + v2r = qr(i, j, k, IV2); + rer = qr(i, j, k, QREINT); + + // Outflow Hack + if (dir == 2) + idx = k; + else + idx = (dir == 0) ? i : j; + if (bclo == Outflow && idx == domlo) { + ul = ur; + vl = vr; + v2l = v2r; + rel = rer; + } + if (bchi == Outflow && idx == domhi + 1) { + ur = ul; + vr = vl; + v2r = v2l; + rer = rel; + } + + const int bc_test_val = 1; + riemann( + ql(i, j, k, QRHO), ul, vl, v2l, ql(i, j, k, QPRES), rel, spl, gamcl, + qr(i, j, k, QRHO), ur, vr, v2r, qr(i, j, k, QPRES), rer, spr, gamcr, + bc_test_val, qa(i, j, k, QCSML), cav, ustar, flx(i, j, k, URHO), + flx(i, j, k, f_idx[0]), flx(i, j, k, f_idx[1]), flx(i, j, k, f_idx[2]), + flx(i, j, k, UEDEN), flx(i, j, k, UEINT), q(i, j, k, GU), q(i, j, k, GV), + q(i, j, k, GV2), q(i, j, k, GDPRES), q(i, j, k, GDGAME)); + + amrex::Real flxrho = flx(i, j, k, URHO); + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + if (ustar > 0.0) + flx(i, j, k, n) = flxrho * ql(i, j, k, nqp); + else if (ustar < 0.0) + flx(i, j, k, n) = flxrho * qr(i, j, k, nqp); + else + flx(i, j, k, n) = flxrho * 0.50 * (ql(i, j, k, nqp) + qr(i, j, k, nqp)); + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_plm_x( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Real const slope[QVAR], + amrex::Array4 const& q, + amrex::Real const cc, + // amrex::Array4 const& dloga, + amrex::Real const dx, + amrex::Real const dt) +{ + amrex::Real e[3]; + amrex::Real dtdx = dt / dx; + // amrex::Real cc = qa(i,j,k,QC); + amrex::Real cs = cc * cc; + amrex::Real rho = q(i, j, k, QRHO); + amrex::Real u = q(i, j, k, QU); + amrex::Real v = q(i, j, k, QV); + amrex::Real w = q(i, j, k, QW); + amrex::Real p = q(i, j, k, QPRES); + amrex::Real rhoe = q(i, j, k, QREINT); + amrex::Real enth = ((rhoe + p) / rho) / cs; + amrex::Real drho = slope[QRHO]; + amrex::Real du = slope[QU]; + amrex::Real dv = slope[QV]; + amrex::Real dw = slope[QW]; + amrex::Real dp = slope[QPRES]; + amrex::Real drhoe = slope[QREINT]; + amrex::Real alpham = 0.5 * (dp / (rho * cc) - du) * rho / cc; + amrex::Real alphap = 0.5 * (dp / (rho * cc) + du) * rho / cc; + amrex::Real alpha0r = drho - dp / cs; + amrex::Real alpha0e = drhoe - dp * enth; + amrex::Real alpha0v = dv; + amrex::Real alpha0w = dw; + + e[0] = u - cc; + e[1] = u; + e[2] = u + cc; + // Construct the right state on the i-1/2 interface + amrex::Real rho_ref = rho - 0.5 * (1.0 + dtdx * amrex::min(e[0], 0.0)) * drho; + amrex::Real u_ref = u - 0.5 * (1.0 + dtdx * amrex::min(e[0], 0.0)) * du; + amrex::Real v_ref = v - 0.5 * (1.0 + dtdx * amrex::min(e[0], 0.0)) * dv; + amrex::Real w_ref = w - 0.5 * (1.0 + dtdx * amrex::min(e[0], 0.0)) * dw; + amrex::Real p_ref = p - 0.5 * (1.0 + dtdx * amrex::min(e[0], 0.0)) * dp; + amrex::Real rhoe_ref = + rhoe - 0.5 * (1.0 + dtdx * amrex::min(e[0], 0.0)) * drhoe; + + amrex::Real apright = 0.25 * dtdx * (e[0] - e[2]) * + (1.0 - amrex::Math::copysign(1.0, e[2])) * alphap; + // amright = 0.25*dtdx*(e[0] - e[0])*(1.0 - + // amrex::Math::copysign(1.0, e[0]))*alpham; + amrex::Real amright = 0.0; + + amrex::Real azrright = 0.25 * dtdx * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0r; + amrex::Real azeright = 0.25 * dtdx * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0e; + amrex::Real azv1rght = 0.25 * dtdx * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0v; + amrex::Real azw1rght = 0.25 * dtdx * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0w; + + qp(i, j, k, QRHO) = rho_ref + apright + amright + azrright; + qp(i, j, k, QRHO) = amrex::max(SMALL_DENS, qp(i, j, k, QRHO)); + AMREX_D_TERM(qp(i, j, k, QU) = u_ref + (apright - amright) * cc / rho; + qp(i, j, k, QV) = 0.; qp(i, j, k, QW) = 0.; + , qp(i, j, k, QV) = v_ref + azv1rght; + , qp(i, j, k, QW) = w_ref + azw1rght;); + qp(i, j, k, QPRES) = p_ref + (apright + amright) * cs; + qp(i, j, k, QPRES) = amrex::max(qp(i, j, k, QPRES), SMALL_PRES); + qp(i, j, k, QREINT) = rhoe_ref + (apright + amright) * enth * cs + azeright; + + // Construct the left state on the i+1/2 interface + + rho_ref = rho + 0.5 * (1.0 - dtdx * amrex::max(e[2], 0.0)) * drho; + u_ref = u + 0.5 * (1.0 - dtdx * amrex::max(e[2], 0.0)) * du; + v_ref = v + 0.5 * (1.0 - dtdx * amrex::max(e[2], 0.0)) * dv; + w_ref = w + 0.5 * (1.0 - dtdx * amrex::max(e[2], 0.0)) * dw; + p_ref = p + 0.5 * (1.0 - dtdx * amrex::max(e[2], 0.0)) * dp; + rhoe_ref = rhoe + 0.5 * (1.0 - dtdx * amrex::max(e[2], 0.0)) * drhoe; + + // apleft = 0.25*dtdx*(e[2] - e[2])*(1.0 + + // amrex::Math::copysign(1.0,e[2]))*alphap; + amrex::Real apleft = 0.0; + amrex::Real amleft = 0.25 * dtdx * (e[2] - e[0]) * + (1.0 + amrex::Math::copysign(1.0, e[0])) * alpham; + + amrex::Real azrleft = 0.25 * dtdx * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0r; + amrex::Real azeleft = 0.25 * dtdx * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0e; + amrex::Real azv1left = 0.25 * dtdx * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0v; + amrex::Real azw1left = 0.25 * dtdx * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0w; + qm(i + 1, j, k, QRHO) = rho_ref + apleft + amleft + azrleft; + qm(i + 1, j, k, QRHO) = amrex::max(qm(i + 1, j, k, QRHO), SMALL_DENS); + AMREX_D_TERM(qm(i + 1, j, k, QU) = u_ref + (apleft - amleft) * cc / rho; + qm(i + 1, j, k, QV) = 0.; qm(i + 1, j, k, QW) = 0.; + , qm(i + 1, j, k, QV) = v_ref + azv1left; + , qm(i + 1, j, k, QW) = w_ref + azw1left;); + qm(i + 1, j, k, QPRES) = p_ref + (apleft + amleft) * cs; + qm(i + 1, j, k, QPRES) = amrex::max(qm(i + 1, j, k, QPRES), SMALL_PRES); + qm(i + 1, j, k, QREINT) = rhoe_ref + (apleft + amleft) * enth * cs + azeleft; + // Upwind the passive variables + for (int ipassive = 0; ipassive < NPASSIVE; ++ipassive) { + int n = indxmap::qpass_map(ipassive); + // Right state + u = q(i, j, k, QU); + amrex::Real spzero; + spzero = u > 0 ? -1.0 : u * dtdx; + amrex::Real acmprght = 0.5 * (-1.0 - spzero) * slope[n]; + qp(i, j, k, n) = q(i, j, k, n) + acmprght; + + spzero = u >= 0 ? u * dtdx : 1.0; + amrex::Real acmpleft = 0.5 * (1.0 - spzero) * slope[n]; + qm(i + 1, j, k, n) = q(i, j, k, n) + acmpleft; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_plm_y( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Real const slope[QVAR], + amrex::Array4 const& q, + amrex::Real const cc, + amrex::Real const dy, + amrex::Real const dt) +{ + amrex::Real e[3]; + amrex::Real dtdy = dt / dy; + amrex::Real cs = cc * cc; + amrex::Real rho = q(i, j, k, QRHO); + amrex::Real u = q(i, j, k, QU); + amrex::Real v = q(i, j, k, QV); + amrex::Real w = q(i, j, k, QW); + amrex::Real p = q(i, j, k, QPRES); + amrex::Real rhoe = q(i, j, k, QREINT); + amrex::Real enth = ((rhoe + p) / rho) / cs; + amrex::Real drho = slope[QRHO]; + amrex::Real du = slope[QU]; + amrex::Real dv = slope[QV]; + amrex::Real dw = slope[QW]; + amrex::Real dp = slope[QPRES]; + amrex::Real drhoe = slope[QREINT]; + amrex::Real alpham = 0.5 * (dp / (rho * cc) - dv) * rho / cc; + amrex::Real alphap = 0.5 * (dp / (rho * cc) + dv) * rho / cc; + amrex::Real alpha0r = drho - dp / cs; + amrex::Real alpha0e = drhoe - dp * enth; + amrex::Real alpha0u = du; + amrex::Real alpha0w = dw; + + e[0] = v - cc; + e[1] = v; + e[2] = v + cc; + // Construct the "right" state on the j-1/2 interface + amrex::Real rho_ref = rho - 0.5 * (1.0 + dtdy * amrex::min(e[0], 0.0)) * drho; + amrex::Real u_ref = u - 0.5 * (1.0 + dtdy * amrex::min(e[0], 0.0)) * du; + amrex::Real v_ref = v - 0.5 * (1.0 + dtdy * amrex::min(e[0], 0.0)) * dv; + amrex::Real w_ref = w - 0.5 * (1.0 + dtdy * amrex::min(e[0], 0.0)) * dw; + amrex::Real p_ref = p - 0.5 * (1.0 + dtdy * amrex::min(e[0], 0.0)) * dp; + amrex::Real rhoe_ref = + rhoe - 0.5 * (1.0 + dtdy * amrex::min(e[0], 0.0)) * drhoe; + + amrex::Real apright = 0.25 * dtdy * (e[0] - e[2]) * + (1.0 - amrex::Math::copysign(1.0, e[2])) * alphap; + // amright = 0.25*dtdy*(e[0] - e[0])*(1.0 - amrex::Math::copysign(1.0, + // e[0]))*alpham; + amrex::Real amright = 0.0; + + amrex::Real azrright = 0.25 * dtdy * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0r; + amrex::Real azeright = 0.25 * dtdy * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0e; + amrex::Real azu1rght = 0.25 * dtdy * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0u; + amrex::Real azw1rght = 0.25 * dtdy * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0w; + + qp(i, j, k, QRHO) = rho_ref + apright + amright + azrright; + qp(i, j, k, QRHO) = amrex::max(SMALL_DENS, qp(i, j, k, QRHO)); + qp(i, j, k, QU) = u_ref + azu1rght; + qp(i, j, k, QV) = v_ref + (apright - amright) * cc / rho; + AMREX_D_TERM(qp(i, j, k, QW) = 0.;, , qp(i, j, k, QW) = w_ref + azw1rght;); + qp(i, j, k, QPRES) = p_ref + (apright + amright) * cs; + qp(i, j, k, QPRES) = amrex::max(qp(i, j, k, QPRES), SMALL_PRES); + qp(i, j, k, QREINT) = rhoe_ref + (apright + amright) * enth * cs + azeright; + + // Construct the "left" state on the j+1/2 interface + + rho_ref = rho + 0.5 * (1.0 - dtdy * amrex::max(e[2], 0.0)) * drho; + u_ref = u + 0.5 * (1.0 - dtdy * amrex::max(e[2], 0.0)) * du; + v_ref = v + 0.5 * (1.0 - dtdy * amrex::max(e[2], 0.0)) * dv; + w_ref = w + 0.5 * (1.0 - dtdy * amrex::max(e[2], 0.0)) * dw; + p_ref = p + 0.5 * (1.0 - dtdy * amrex::max(e[2], 0.0)) * dp; + rhoe_ref = rhoe + 0.5 * (1.0 - dtdy * amrex::max(e[2], 0.0)) * drhoe; + + // apleft = 0.25*dtdy*(e[2] - e[2])*(1.0 + + // amrex::Math::copysign(1.0,e[2]))*alphap; + amrex::Real apleft = 0.0; + amrex::Real amleft = 0.25 * dtdy * (e[2] - e[0]) * + (1.0 + amrex::Math::copysign(1.0, e[0])) * alpham; + + amrex::Real azrleft = 0.25 * dtdy * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0r; + amrex::Real azeleft = 0.25 * dtdy * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0e; + amrex::Real azu1left = 0.25 * dtdy * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0u; + amrex::Real azw1left = 0.25 * dtdy * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0w; + + qm(i, j + 1, k, QRHO) = rho_ref + apleft + amleft + azrleft; + qm(i, j + 1, k, QRHO) = amrex::max(qm(i, j + 1, k, QRHO), SMALL_DENS); + qm(i, j + 1, k, QU) = u_ref + azu1left; + qm(i, j + 1, k, QV) = v_ref + (apleft - amleft) * cc / rho; + AMREX_D_TERM(qm(i, j + 1, k, QW) = 0.; + , , qm(i, j + 1, k, QW) = w_ref + azw1left;); + qm(i, j + 1, k, QPRES) = p_ref + (apleft + amleft) * cs; + qm(i, j + 1, k, QPRES) = amrex::max(qm(i, j + 1, k, QPRES), SMALL_PRES); + qm(i, j + 1, k, QREINT) = rhoe_ref + (apleft + amleft) * enth * cs + azeleft; + + // Upwind the passive variables + for (int ipassive = 0; ipassive < NPASSIVE; ++ipassive) { + int n = indxmap::qpass_map(ipassive); + // Right state + v = q(i, j, k, QV); + amrex::Real spzero; + spzero = v > 0 ? -1.0 : v * dtdy; + amrex::Real acmptop = 0.5 * (-1.0 - spzero) * slope[n]; + qp(i, j, k, n) = q(i, j, k, n) + acmptop; + + spzero = v >= 0 ? v * dtdy : 1.0; + amrex::Real acmpbot = 0.5 * (1.0 - spzero) * slope[n]; + qm(i, j + 1, k, n) = q(i, j, k, n) + acmpbot; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_plm_z( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Real const slope[QVAR], + amrex::Array4 const& q, + amrex::Real const cc, + amrex::Real const dz, + amrex::Real const dt) +{ + amrex::Real e[3]; + amrex::Real dtdz = dt / dz; + amrex::Real cs = cc * cc; + amrex::Real rho = q(i, j, k, QRHO); + amrex::Real u = q(i, j, k, QU); + amrex::Real v = q(i, j, k, QV); + amrex::Real w = q(i, j, k, QW); + amrex::Real p = q(i, j, k, QPRES); + amrex::Real rhoe = q(i, j, k, QREINT); + amrex::Real enth = ((rhoe + p) / rho) / cs; + amrex::Real drho = slope[QRHO]; + amrex::Real du = slope[QU]; + amrex::Real dv = slope[QV]; + amrex::Real dw = slope[QW]; + amrex::Real dp = slope[QPRES]; + amrex::Real drhoe = slope[QREINT]; + amrex::Real alpham = 0.5 * (dp / (rho * cc) - dw) * rho / cc; + amrex::Real alphap = 0.5 * (dp / (rho * cc) + dw) * rho / cc; + amrex::Real alpha0r = drho - dp / cs; + amrex::Real alpha0e = drhoe - dp * enth; + amrex::Real alpha0u = du; + amrex::Real alpha0v = dv; + + e[0] = w - cc; + e[1] = w; + e[2] = w + cc; + + // Construct the "right" state on the k-1/2 interface + amrex::Real rho_ref = rho - 0.5 * (1.0 + dtdz * amrex::min(e[0], 0.0)) * drho; + amrex::Real u_ref = u - 0.5 * (1.0 + dtdz * amrex::min(e[0], 0.0)) * du; + amrex::Real v_ref = v - 0.5 * (1.0 + dtdz * amrex::min(e[0], 0.0)) * dv; + amrex::Real w_ref = w - 0.5 * (1.0 + dtdz * amrex::min(e[0], 0.0)) * dw; + amrex::Real p_ref = p - 0.5 * (1.0 + dtdz * amrex::min(e[0], 0.0)) * dp; + amrex::Real rhoe_ref = + rhoe - 0.5 * (1.0 + dtdz * amrex::min(e[0], 0.0)) * drhoe; + + amrex::Real apright = 0.25 * dtdz * (e[0] - e[2]) * + (1.0 - amrex::Math::copysign(1.0, e[2])) * alphap; + // amright = 0.25*dtdz*(e[0] - e[0])*(1.0 - amrex::Math::copysign(1.0, + // e[0]))*alpham; + amrex::Real amright = 0.0; + + amrex::Real azrright = 0.25 * dtdz * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0r; + amrex::Real azeright = 0.25 * dtdz * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0e; + amrex::Real azu1rght = 0.25 * dtdz * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0u; + amrex::Real azv1rght = 0.25 * dtdz * (e[0] - e[1]) * + (1.0 - amrex::Math::copysign(1.0, e[1])) * alpha0v; + + qp(i, j, k, QRHO) = rho_ref + apright + amright + azrright; + qp(i, j, k, QRHO) = amrex::max(SMALL_DENS, qp(i, j, k, QRHO)); + qp(i, j, k, QU) = u_ref + azu1rght; + qp(i, j, k, QV) = v_ref + azv1rght; + qp(i, j, k, QW) = w_ref + (apright - amright) * cc / rho; + qp(i, j, k, QPRES) = p_ref + (apright + amright) * cs; + qp(i, j, k, QPRES) = amrex::max(qp(i, j, k, QPRES), SMALL_PRES); + qp(i, j, k, QREINT) = rhoe_ref + (apright + amright) * enth * cs + azeright; + + // Construct the "left" state on the j+1/2 interface + + rho_ref = rho + 0.5 * (1.0 - dtdz * amrex::max(e[2], 0.0)) * drho; + u_ref = u + 0.5 * (1.0 - dtdz * amrex::max(e[2], 0.0)) * du; + v_ref = v + 0.5 * (1.0 - dtdz * amrex::max(e[2], 0.0)) * dv; + w_ref = w + 0.5 * (1.0 - dtdz * amrex::max(e[2], 0.0)) * dw; + p_ref = p + 0.5 * (1.0 - dtdz * amrex::max(e[2], 0.0)) * dp; + rhoe_ref = rhoe + 0.5 * (1.0 - dtdz * amrex::max(e[2], 0.0)) * drhoe; + + // apleft = 0.25*dtdz*(e[2] - e[2])*(1.0 + + // amrex::Math::copysign(1.0,e[2]))*alphap; + amrex::Real apleft = 0.0; + amrex::Real amleft = 0.25 * dtdz * (e[2] - e[0]) * + (1.0 + amrex::Math::copysign(1.0, e[0])) * alpham; + + amrex::Real azrleft = 0.25 * dtdz * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0r; + amrex::Real azeleft = 0.25 * dtdz * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0e; + amrex::Real azu1left = 0.25 * dtdz * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0u; + amrex::Real azv1left = 0.25 * dtdz * (e[2] - e[1]) * + (1.0 + amrex::Math::copysign(1.0, e[1])) * alpha0v; + + qm(i, j, k + 1, QRHO) = rho_ref + apleft + amleft + azrleft; + qm(i, j, k + 1, QRHO) = amrex::max(qm(i, j, k + 1, QRHO), SMALL_DENS); + qm(i, j, k + 1, QU) = u_ref + azu1left; + qm(i, j, k + 1, QV) = v_ref + azv1left; + qm(i, j, k + 1, QW) = w_ref + (apleft - amleft) * cc / rho; + qm(i, j, k + 1, QPRES) = p_ref + (apleft + amleft) * cs; + qm(i, j, k + 1, QPRES) = amrex::max(qm(i, j, k + 1, QPRES), SMALL_PRES); + qm(i, j, k + 1, QREINT) = rhoe_ref + (apleft + amleft) * enth * cs + azeleft; + + // Upwind the passive variables + for (int ipassive = 0; ipassive < NPASSIVE; ++ipassive) { + int n = indxmap::qpass_map(ipassive); + // Right state + w = q(i, j, k, QW); + amrex::Real spzero; + spzero = w > 0 ? -1.0 : w * dtdz; + amrex::Real acmptop = 0.5 * (-1.0 - spzero) * slope[n]; + qp(i, j, k, n) = q(i, j, k, n) + acmptop; + + spzero = w >= 0 ? w * dtdz : 1.0; + amrex::Real acmpbot = 0.5 * (1.0 - spzero) * slope[n]; + qm(i, j, k + 1, n) = q(i, j, k, n) + acmpbot; + } +} + +// Corrects the left and right Y-states with the X-Flux +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transx( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qym, + amrex::Array4 const& qyp, + amrex::Array4 const& flxx, + amrex::Array4 const& srcQ, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + amrex::Array4 const& a1, + amrex::Array4 const& vol, + const amrex::Real hdt) +{ + // Local variables to avoid reading from global memory too much + amrex::Real compn, rr, rrnew, compo, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, renewl; + amrex::Real rhoekinl, srcr, srce, srcp, srcpass; + amrex::Real pggp, pggm, ugp, ugm; + amrex::Real dAup, pav, dAu; + amrex::Real flxrho, flxu, flxv, flxe; + + flxrho = hdt * + (a1(i + 1, j, k) * flxx(i + 1, j, k, URHO) - + a1(i, j, k) * flxx(i, j, k, URHO)) / + vol(i, j, k); + flxu = hdt * + (a1(i + 1, j, k) * flxx(i + 1, j, k, UMX) - + a1(i, j, k) * flxx(i, j, k, UMX)) / + vol(i, j, k); + flxv = hdt * + (a1(i + 1, j, k) * flxx(i + 1, j, k, UMY) - + a1(i, j, k) * flxx(i, j, k, UMY)) / + vol(i, j, k); + flxe = hdt * + (a1(i + 1, j, k) * flxx(i + 1, j, k, UEDEN) - + a1(i, j, k) * flxx(i, j, k, UEDEN)) / + vol(i, j, k); + srcr = srcQ(i, j, k, QRHO); + srce = srcQ(i, j, k, QREINT); + srcp = srcQ(i, j, k, QPRES); + c = qa(i, j, k, QGAMC); + // Update passive variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + srcpass = srcQ(i, j, k, nqp); + compn = hdt * + (a1(i + 1, j, k) * flxx(i + 1, j, k, n) - + a1(i, j, k) * flxx(i, j, k, n)) / + vol(i, j, k); + rr = qyp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qyp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew + hdt * srcpass; + + rr = qym(i, j + 1, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qym(i, j + 1, k, nqp) - compn; + qm(i, j + 1, k, nqp) = compo / rrnew + hdt * srcpass; + } + + pggp = qint(i + 1, j, k, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i + 1, j, k, GDU); + ugm = qint(i, j, k, GDU); + + dAup = a1(i + 1, j, k) * pggp * ugp - a1(i, j, k) * pggm * ugm; + pav = 0.5 * (pggp + pggm); + dAu = a1(i + 1, j, k) * ugp - a1(i, j, k) * ugm; + + // QP + + // Convert to conservative + rrr = qyp(i, j, k, QRHO); + rur = qyp(i, j, k, QU); + rvr = qyp(i, j, k, QV); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr); + rur *= rrr; + rvr *= rrr; + + rer = qyp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr + hdt * srcr; + qp(i, j, k, QU) = runewr / rrnewr + hdt * srcQ(i, j, k, QU); + qp(i, j, k, QV) = rvnewr / rrnewr + hdt * srcQ(i, j, k, QV); + rhoekinr = 0.5 * (runewr * runewr + rvnewr * rvnewr) / rrnewr; + amrex::Real pnewr = + qyp(i, j, k, QPRES) - hdt * (dAup + pav * dAu * (c - 1.)) / vol(i, j, k); + pnewr += hdt * srcp; + qp(i, j, k, QPRES) = amrex::max(pnewr, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr + hdt * srce; + + // QM + + // Conversion to Conservative + rrl = qym(i, j + 1, k, QRHO); + rul = qym(i, j + 1, k, QU); + rvl = qym(i, j + 1, k, QV); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl); + rul *= rrl; + rvl *= rrl; + rel = qym(i, j + 1, k, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + renewl = rel - flxe; + + qm(i, j + 1, k, QRHO) = rrnewl + hdt * srcr; + qm(i, j + 1, k, QU) = runewl / rrnewl + hdt * srcQ(i, j, k, QU); + qm(i, j + 1, k, QV) = rvnewl / rrnewl + hdt * srcQ(i, j, k, QV); + rhoekinl = 0.5 * (runewl * runewl + rvnewl * rvnewl) / rrnewl; + + qm(i, j + 1, k, QREINT) = renewl - rhoekinl + hdt * srce; + amrex::Real pnewl = qym(i, j + 1, k, QPRES) - + hdt * (dAup + pav * dAu * (c - 1.)) / vol(i, j, k); + qm(i, j + 1, k, QPRES) = amrex::max(pnewl + hdt * srcp, SMALL_PRES); +} + +// Corrects the left and right Y-states with the X-Flux +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transy( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qxm, + amrex::Array4 const& qxp, + amrex::Array4 const& flxy, + amrex::Array4 const& srcQ, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + const amrex::Real hdt, + const amrex::Real cdtdy) +{ + // Local variables to avoid reading from global memory too much + amrex::Real compn, rr, rrnew, compo, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, renewl; + amrex::Real rhoekinl, srcr, srce, srcp, srcpass; + amrex::Real pggp, pggm, ugp, ugm; + amrex::Real dup, pav, du; + amrex::Real flxrho, flxu, flxv, flxe; + + flxrho = cdtdy * (flxy(i, j + 1, k, URHO) - flxy(i, j, k, URHO)); + flxu = cdtdy * (flxy(i, j + 1, k, UMX) - flxy(i, j, k, UMX)); + flxv = cdtdy * (flxy(i, j + 1, k, UMY) - flxy(i, j, k, UMY)); + flxe = cdtdy * (flxy(i, j + 1, k, UEDEN) - flxy(i, j, k, UEDEN)); + srcr = srcQ(i, j, k, QRHO); + srce = srcQ(i, j, k, QREINT); + srcp = srcQ(i, j, k, QPRES); + c = qa(i, j, k, QGAMC); + + // Update passive variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + srcpass = srcQ(i, j, k, nqp); + compn = cdtdy * (flxy(i, j + 1, k, n) - flxy(i, j, k, n)); + rr = qxp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qxp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew + hdt * srcpass; + + rr = qxm(i + 1, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qxm(i + 1, j, k, nqp) - compn; + qm(i + 1, j, k, nqp) = compo / rrnew + hdt * srcpass; + } + + // Update hydro vars + pggp = qint(i, j + 1, k, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i, j + 1, k, GDV); + ugm = qint(i, j, k, GDV); + + dup = pggp * ugp - pggm * ugm; + pav = 0.5 * (pggp + pggm); + du = ugp - ugm; + + // QP + + // Convert to conservative + rrr = qxp(i, j, k, QRHO); + rur = qxp(i, j, k, QU); + rvr = qxp(i, j, k, QV); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr); + rur *= rrr; + rvr *= rrr; + + rer = qxp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr + hdt * srcr; + qp(i, j, k, QU) = runewr / rrnewr + hdt * srcQ(i, j, k, QU); + qp(i, j, k, QV) = rvnewr / rrnewr + hdt * srcQ(i, j, k, QV); + rhoekinr = 0.5 * (runewr * runewr + rvnewr * rvnewr) / rrnewr; + amrex::Real pnewr = qxp(i, j, k, QPRES) - cdtdy * (dup + pav * du * (c - 1.)); + qp(i, j, k, QPRES) = amrex::max(pnewr + hdt * srcp, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr + hdt * srce; + + // QM + + // Conversion to Conservative + rrl = qxm(i + 1, j, k, QRHO); + rul = qxm(i + 1, j, k, QU); + rvl = qxm(i + 1, j, k, QV); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl); + rul *= rrl; + rvl *= rrl; + rel = qxm(i + 1, j, k, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + renewl = rel - flxe; + + qm(i + 1, j, k, QRHO) = rrnewl + hdt * srcr; + qm(i + 1, j, k, QU) = runewl / rrnewl + hdt * srcQ(i, j, k, QU); + qm(i + 1, j, k, QV) = rvnewl / rrnewl + hdt * srcQ(i, j, k, QV); + rhoekinl = 0.5 * (runewl * runewl + rvnewl * rvnewl) / rrnewl; + + amrex::Real pnewl = + qxm(i + 1, j, k, QPRES) - cdtdy * (dup + pav * du * (c - 1.)); + qm(i + 1, j, k, QPRES) = amrex::max(pnewl + hdt * srcp, SMALL_PRES); + qm(i + 1, j, k, QREINT) = renewl - rhoekinl + hdt * srce; +} + +// First Transverse Correction for Predicted Y-states, using X-Flux +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transx1( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qym, + amrex::Array4 const& qyp, + amrex::Array4 const& flxx, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + const amrex::Real cdtdx) +{ + // Local variables to avoid reading from global memory too much + amrex::Real compn, rr, rrnew, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggp, pggm, ugp, ugm; + amrex::Real dAup, pav, dAu; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + + flxrho = cdtdx * (flxx(i + 1, j, k, URHO) - flxx(i, j, k, URHO)); + flxu = cdtdx * (flxx(i + 1, j, k, UMX) - flxx(i, j, k, UMX)); + flxv = cdtdx * (flxx(i + 1, j, k, UMY) - flxx(i, j, k, UMY)); + flxw = cdtdx * (flxx(i + 1, j, k, UMZ) - flxx(i, j, k, UMZ)); + flxe = cdtdx * (flxx(i + 1, j, k, UEDEN) - flxx(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + // Update passive variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + compn = cdtdx * (flxx(i + 1, j, k, n) - flxx(i, j, k, n)); + rr = qyp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qyp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew; + + rr = qym(i, j + 1, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qym(i, j + 1, k, nqp) - compn; + qm(i, j + 1, k, nqp) = compo / rrnew; + } + // Update hydro vars + + pggp = qint(i + 1, j, k, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i + 1, j, k, GDU); + ugm = qint(i, j, k, GDU); + + dAup = pggp * ugp - pggm * ugm; + pav = 0.5 * (pggp + pggm); + dAu = ugp - ugm; + + // QP + + // Convert to conservative + rrr = qyp(i, j, k, QRHO); + rur = qyp(i, j, k, QU); + rvr = qyp(i, j, k, QV); + rwr = qyp(i, j, k, QW); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr + rwr * rwr); + rur *= rrr; + rvr *= rrr; + rwr *= rrr; + + rer = qyp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr; + qp(i, j, k, QU) = runewr / rrnewr; + qp(i, j, k, QV) = rvnewr / rrnewr; + qp(i, j, k, QW) = rwnewr / rrnewr; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + amrex::Real pnewr = + qyp(i, j, k, QPRES) - cdtdx * (dAup + pav * dAu * (c - 1.0)); + qp(i, j, k, QPRES) = amrex::max(pnewr, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr; + // QM + + // Conversion to Conservative + rrl = qym(i, j + 1, k, QRHO); + rul = qym(i, j + 1, k, QU); + rvl = qym(i, j + 1, k, QV); + rwl = qym(i, j + 1, k, QW); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl + rwl * rwl); + rul *= rrl; + rvl *= rrl; + rwl *= rrl; + rel = qym(i, j + 1, k, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i, j + 1, k, QRHO) = rrnewl; + qm(i, j + 1, k, QU) = runewl / rrnewl; + qm(i, j + 1, k, QV) = rvnewl / rrnewl; + qm(i, j + 1, k, QW) = rwnewl / rrnewl; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + + qm(i, j + 1, k, QREINT) = renewl - rhoekinl; + amrex::Real pnewl = + qym(i, j + 1, k, QPRES) - cdtdx * (dAup + pav * dAu * (c - 1.0)); + qm(i, j + 1, k, QPRES) = amrex::max(pnewl, SMALL_PRES); +} + +// Corrects the left and right x states with y flux +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transy1( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qxm, + amrex::Array4 const& qxp, + amrex::Array4 const& flxy, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + const amrex::Real cdtdy) +{ + + amrex::Real compn, rr, rrnew, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggp, pggm, ugp, ugm; + // Local variables to avoid reading from global memory too much + amrex::Real dup, pav, du, pnewr, pnewl; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + + flxrho = cdtdy * (flxy(i, j + 1, k, URHO) - flxy(i, j, k, URHO)); + flxu = cdtdy * (flxy(i, j + 1, k, UMX) - flxy(i, j, k, UMX)); + flxv = cdtdy * (flxy(i, j + 1, k, UMY) - flxy(i, j, k, UMY)); + flxw = cdtdy * (flxy(i, j + 1, k, UMZ) - flxy(i, j, k, UMZ)); + flxe = cdtdy * (flxy(i, j + 1, k, UEDEN) - flxy(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + // - Update Passive Variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + compn = cdtdy * (flxy(i, j + 1, k, n) - flxy(i, j, k, n)); + rr = qxp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qxp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew; + + rr = qxm(i + 1, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qxm(i + 1, j, k, nqp) - compn; + qm(i + 1, j, k, nqp) = compo / rrnew; + } + + //- Update hydro vars - + // pressure divergence and such. + pggp = qint(i, j + 1, k, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i, j + 1, k, GDV); + ugm = qint(i, j, k, GDV); + + dup = pggp * ugp - pggm * ugm; + pav = 0.5 * (pggp + pggm); + du = ugp - ugm; + + // QP + + // Convert to conservative + rrr = qxp(i, j, k, QRHO); + rur = qxp(i, j, k, QU); + rvr = qxp(i, j, k, QV); + rwr = qxp(i, j, k, QW); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr + rwr * rwr); + rur *= rrr; + rvr *= rrr; + rwr *= rrr; + + rer = qxp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr; // + hdt*srcr; + qp(i, j, k, QU) = runewr / rrnewr; + qp(i, j, k, QV) = rvnewr / rrnewr; + qp(i, j, k, QW) = rwnewr / rrnewr; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + + pnewr = qxp(i, j, k, QPRES) - cdtdy * (dup + pav * du * (c - 1.0)); + qp(i, j, k, QPRES) = amrex::max(pnewr, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr; + + // QM + + // Conversion to Conservative + rrl = qxm(i + 1, j, k, QRHO); + rul = qxm(i + 1, j, k, QU); + rvl = qxm(i + 1, j, k, QV); + rwl = qxm(i + 1, j, k, QW); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl + rwl * rwl); + rul *= rrl; + rvl *= rrl; + rwl *= rrl; + rel = qxm(i + 1, j, k, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i + 1, j, k, QRHO) = rrnewl; + qm(i + 1, j, k, QU) = runewl / rrnewl; + qm(i + 1, j, k, QV) = rvnewl / rrnewl; + qm(i + 1, j, k, QW) = rwnewl / rrnewl; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + + pnewl = qxm(i + 1, j, k, QPRES) - cdtdy * (dup + pav * du * (c - 1.0)); + qm(i + 1, j, k, QPRES) = amrex::max(pnewl, SMALL_PRES); + qm(i + 1, j, k, QREINT) = renewl - rhoekinl; +} + +/* Transverse Correction for Predicted Z-states, using X-Flux */ +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transx2( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qzm, + amrex::Array4 const& qzp, + amrex::Array4 const& flxx, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + const amrex::Real cdtdx) +{ + // Local variables to avoid reading from global memory too much + amrex::Real compn, rr, rrnew, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggp, pggm, ugp, ugm; + amrex::Real dAup, pav, dAu; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + + flxrho = cdtdx * (flxx(i + 1, j, k, URHO) - flxx(i, j, k, URHO)); + flxu = cdtdx * (flxx(i + 1, j, k, UMX) - flxx(i, j, k, UMX)); + flxv = cdtdx * (flxx(i + 1, j, k, UMY) - flxx(i, j, k, UMY)); + flxw = cdtdx * (flxx(i + 1, j, k, UMZ) - flxx(i, j, k, UMZ)); + flxe = cdtdx * (flxx(i + 1, j, k, UEDEN) - flxx(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + // - Update Passive Variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + compn = cdtdx * (flxx(i + 1, j, k, n) - flxx(i, j, k, n)); + rr = qzp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qzp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew; + + rr = qzm(i, j, k + 1, QRHO); + rrnew = rr - flxrho; + compo = rr * qzm(i, j, k + 1, nqp) - compn; + qm(i, j, k + 1, nqp) = compo / rrnew; + } + //- Update hydro vars - + + pggp = qint(i + 1, j, k, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i + 1, j, k, GDU); + ugm = qint(i, j, k, GDU); + + dAup = pggp * ugp - pggm * ugm; + pav = 0.5 * (pggp + pggm); + dAu = ugp - ugm; + + // QP + + // Convert to conservative + rrr = qzp(i, j, k, QRHO); + rur = qzp(i, j, k, QU); + rvr = qzp(i, j, k, QV); + rwr = qzp(i, j, k, QW); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr + rwr * rwr); + rur *= rrr; + rvr *= rrr; + rwr *= rrr; + + rer = qzp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr; + qp(i, j, k, QU) = runewr / rrnewr; + qp(i, j, k, QV) = rvnewr / rrnewr; + qp(i, j, k, QW) = rwnewr / rrnewr; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + amrex::Real pnewr = + qzp(i, j, k, QPRES) - cdtdx * (dAup + pav * dAu * (c - 1.0)); + qp(i, j, k, QPRES) = amrex::max(pnewr, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr; + // QM + + // Conversion to Conservative + rrl = qzm(i, j, k + 1, QRHO); + rul = qzm(i, j, k + 1, QU); + rvl = qzm(i, j, k + 1, QV); + rwl = qzm(i, j, k + 1, QW); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl + rwl * rwl); + rul *= rrl; + rvl *= rrl; + rwl *= rrl; + rel = qzm(i, j, k + 1, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i, j, k + 1, QRHO) = rrnewl; + qm(i, j, k + 1, QU) = runewl / rrnewl; + qm(i, j, k + 1, QV) = rvnewl / rrnewl; + qm(i, j, k + 1, QW) = rwnewl / rrnewl; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + + qm(i, j, k + 1, QREINT) = renewl - rhoekinl; + amrex::Real pnewl = + qzm(i, j, k + 1, QPRES) - cdtdx * (dAup + pav * dAu * (c - 1.0)); + qm(i, j, k + 1, QPRES) = amrex::max(pnewl, SMALL_PRES); +} + +// Corrects the left and right z states with y flux +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transy2( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qzm, + amrex::Array4 const& qzp, + amrex::Array4 const& flxy, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + const amrex::Real cdtdy) +{ + // Local variables to avoid reading from global memory too much + amrex::Real compn, rr, rrnew, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggp, pggm, ugp, ugm; + amrex::Real dAup, pav, dAu; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + + flxrho = cdtdy * (flxy(i, j + 1, k, URHO) - flxy(i, j, k, URHO)); + flxu = cdtdy * (flxy(i, j + 1, k, UMX) - flxy(i, j, k, UMX)); + flxv = cdtdy * (flxy(i, j + 1, k, UMY) - flxy(i, j, k, UMY)); + flxw = cdtdy * (flxy(i, j + 1, k, UMZ) - flxy(i, j, k, UMZ)); + flxe = cdtdy * (flxy(i, j + 1, k, UEDEN) - flxy(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + // - Update Passive Variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + compn = cdtdy * (flxy(i, j + 1, k, n) - flxy(i, j, k, n)); + rr = qzp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qzp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew; + + rr = qzm(i, j, k + 1, QRHO); + rrnew = rr - flxrho; + compo = rr * qzm(i, j, k + 1, nqp) - compn; + qm(i, j, k + 1, nqp) = compo / rrnew; + } + //- Update hydro vars - + + pggp = qint(i, j + 1, k, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i, j + 1, k, GDV); + ugm = qint(i, j, k, GDV); + + dAup = pggp * ugp - pggm * ugm; + pav = 0.5 * (pggp + pggm); + dAu = ugp - ugm; + + // QP + + // Convert to conservative + rrr = qzp(i, j, k, QRHO); + rur = qzp(i, j, k, QU); + rvr = qzp(i, j, k, QV); + rwr = qzp(i, j, k, QW); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr + rwr * rwr); + rur *= rrr; + rvr *= rrr; + rwr *= rrr; + + rer = qzp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr; + qp(i, j, k, QU) = runewr / rrnewr; + qp(i, j, k, QV) = rvnewr / rrnewr; + qp(i, j, k, QW) = rwnewr / rrnewr; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + amrex::Real pnewr = + qzp(i, j, k, QPRES) - cdtdy * (dAup + pav * dAu * (c - 1.0)); + qp(i, j, k, QPRES) = amrex::max(pnewr, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr; + // QM + + // Conversion to Conservative + rrl = qzm(i, j, k + 1, QRHO); + rul = qzm(i, j, k + 1, QU); + rvl = qzm(i, j, k + 1, QV); + rwl = qzm(i, j, k + 1, QW); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl + rwl * rwl); + rul *= rrl; + rvl *= rrl; + rwl *= rrl; + rel = qzm(i, j, k + 1, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i, j, k + 1, QRHO) = rrnewl; + qm(i, j, k + 1, QU) = runewl / rrnewl; + qm(i, j, k + 1, QV) = rvnewl / rrnewl; + qm(i, j, k + 1, QW) = rwnewl / rrnewl; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + + qm(i, j, k + 1, QREINT) = renewl - rhoekinl; + amrex::Real pnewl = + qzm(i, j, k + 1, QPRES) - cdtdy * (dAup + pav * dAu * (c - 1.0)); + qm(i, j, k + 1, QPRES) = amrex::max(pnewl, SMALL_PRES); +} + +// Corrects the left and right x states with z flux +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transz1( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qxm, + amrex::Array4 const& qxp, + amrex::Array4 const& flxz, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + const amrex::Real cdtdz) +{ + amrex::Real compn, rr, rrnew, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggp, pggm, ugp, ugm; + // Local variables to avoid reading from global memory too much + amrex::Real dup, pav, du, pnewr, pnewl; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + + flxrho = cdtdz * (flxz(i, j, k + 1, URHO) - flxz(i, j, k, URHO)); + flxu = cdtdz * (flxz(i, j, k + 1, UMX) - flxz(i, j, k, UMX)); + flxv = cdtdz * (flxz(i, j, k + 1, UMY) - flxz(i, j, k, UMY)); + flxw = cdtdz * (flxz(i, j, k + 1, UMZ) - flxz(i, j, k, UMZ)); + flxe = cdtdz * (flxz(i, j, k + 1, UEDEN) - flxz(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + // - Update Passive Variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + compn = cdtdz * (flxz(i, j, k + 1, n) - flxz(i, j, k, n)); + rr = qxp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qxp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew; + + rr = qxm(i + 1, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qxm(i + 1, j, k, nqp) - compn; + qm(i + 1, j, k, nqp) = compo / rrnew; + } + + //- Update hydro vars - + // pressure divergence and such. + pggp = qint(i, j, k + 1, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i, j, k + 1, GDW); + ugm = qint(i, j, k, GDW); + + dup = pggp * ugp - pggm * ugm; + pav = 0.5 * (pggp + pggm); + du = ugp - ugm; + + // QP + + // Convert to conservative + rrr = qxp(i, j, k, QRHO); + rur = qxp(i, j, k, QU); + rvr = qxp(i, j, k, QV); + rwr = qxp(i, j, k, QW); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr + rwr * rwr); + rur *= rrr; + rvr *= rrr; + rwr *= rrr; + + rer = qxp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr; // + hdt*srcr; + qp(i, j, k, QU) = runewr / rrnewr; + qp(i, j, k, QV) = rvnewr / rrnewr; + qp(i, j, k, QW) = rvnewr / rrnewr; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + + pnewr = qxp(i, j, k, QPRES) - cdtdz * (dup + pav * du * (c - 1.0)); + qp(i, j, k, QPRES) = amrex::max(pnewr, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr; + + // QM + + // Conversion to Conservative + rrl = qxm(i + 1, j, k, QRHO); + rul = qxm(i + 1, j, k, QU); + rvl = qxm(i + 1, j, k, QV); + rwl = qxm(i + 1, j, k, QW); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl + rwl * rwl); + rul *= rrl; + rvl *= rrl; + rwl *= rrl; + rel = qxm(i + 1, j, k, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i + 1, j, k, QRHO) = rrnewl; + qm(i + 1, j, k, QU) = runewl / rrnewl; + qm(i + 1, j, k, QV) = rvnewl / rrnewl; + qm(i + 1, j, k, QW) = rwnewl / rrnewl; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + + pnewl = qxm(i + 1, j, k, QPRES) - cdtdz * (dup + pav * du * (c - 1.0)); + qm(i + 1, j, k, QPRES) = amrex::max(pnewl, SMALL_PRES); + qm(i + 1, j, k, QREINT) = renewl - rhoekinl; +} + +// Transverse Correction for Predicted Y-states, using Z-Flux +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transz2( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qym, + amrex::Array4 const& qyp, + amrex::Array4 const& flxz, + amrex::Array4 const& qa, + amrex::Array4 const& qint, + const amrex::Real cdtdz) +{ + // Local variables to avoid reading from global memory too much + amrex::Real compn, rr, rrnew, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggp, pggm, ugp, ugm; + amrex::Real dAup, pav, dAu; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + + flxrho = cdtdz * (flxz(i, j, k + 1, URHO) - flxz(i, j, k, URHO)); + flxu = cdtdz * (flxz(i, j, k + 1, UMX) - flxz(i, j, k, UMX)); + flxv = cdtdz * (flxz(i, j, k + 1, UMY) - flxz(i, j, k, UMY)); + flxw = cdtdz * (flxz(i, j, k + 1, UMZ) - flxz(i, j, k, UMZ)); + flxe = cdtdz * (flxz(i, j, k + 1, UEDEN) - flxz(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + // Update passive variables + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + compn = cdtdz * (flxz(i, j, k + 1, n) - flxz(i, j, k, n)); + rr = qyp(i, j, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qyp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnew; + + rr = qym(i, j + 1, k, QRHO); + rrnew = rr - flxrho; + compo = rr * qym(i, j + 1, k, nqp) - compn; + qm(i, j + 1, k, nqp) = compo / rrnew; + } + + // Update hydro vars + pggp = qint(i, j, k + 1, GDPRES); + pggm = qint(i, j, k, GDPRES); + ugp = qint(i, j, k + 1, GDW); + ugm = qint(i, j, k, GDW); + + dAup = pggp * ugp - pggm * ugm; + pav = 0.5 * (pggp + pggm); + dAu = ugp - ugm; + + // QP + + // Convert to conservative + rrr = qyp(i, j, k, QRHO); + rur = qyp(i, j, k, QU); + rvr = qyp(i, j, k, QV); + rwr = qyp(i, j, k, QW); + ekinr = 0.5 * rrr * (rur * rur + rvr * rvr + rwr * rwr); + rur *= rrr; + rvr *= rrr; + rwr *= rrr; + rer = qyp(i, j, k, QREINT) + ekinr; + // Add transverse predictor + rrnewr = rrr - flxrho; + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + // Convert back to primitive + qp(i, j, k, QRHO) = rrnewr; + qp(i, j, k, QU) = runewr / rrnewr; + qp(i, j, k, QV) = rvnewr / rrnewr; + qp(i, j, k, QW) = rwnewr / rrnewr; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + amrex::Real pnewr = + qyp(i, j, k, QPRES) - cdtdz * (dAup + pav * dAu * (c - 1.0)); + qp(i, j, k, QPRES) = amrex::max(pnewr, SMALL_PRES); + qp(i, j, k, QREINT) = renewr - rhoekinr; + + // QM + + // Conversion to Conservative + rrl = qym(i, j + 1, k, QRHO); + rul = qym(i, j + 1, k, QU); + rvl = qym(i, j + 1, k, QV); + rwl = qym(i, j + 1, k, QW); + ekinl = 0.5 * rrl * (rul * rul + rvl * rvl + rwl * rwl); + rul *= rrl; + rvl *= rrl; + rwl *= rrl; + rel = qym(i, j + 1, k, QREINT) + ekinl; + + // Transverse fluxes + rrnewl = rrl - flxrho; + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i, j + 1, k, QRHO) = rrnewl; + qm(i, j + 1, k, QU) = runewl / rrnewl; + qm(i, j + 1, k, QV) = rvnewl / rrnewl; + qm(i, j + 1, k, QW) = rwnewl / rrnewl; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + + qm(i, j + 1, k, QREINT) = renewl - rhoekinl; + amrex::Real pnewl = + qym(i, j + 1, k, QPRES) - cdtdz * (dAup + pav * dAu * (c - 1.0)); + qm(i, j + 1, k, QPRES) = amrex::max(pnewl, SMALL_PRES); +} + +// Z corrected from xy +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transxy( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qzm, + amrex::Array4 const& qzp, + amrex::Array4 const& flxx, + amrex::Array4 const& flxy, + amrex::Array4 const& qx, + amrex::Array4 const& qy, + amrex::Array4 const& qa, + amrex::Array4 const& srcq, + const amrex::Real hdt, + const amrex::Real cdtdx, + const amrex::Real cdtdy) +{ + amrex::Real compn, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggpx, pggmx, ugpx, ugmx; + amrex::Real dAupx, pavx, dAux; + amrex::Real pggpy, pggmy, ugpy, ugmy; + amrex::Real dAupy, pavy, dAuy; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + amrex::Real srcpass, srcrho, srcu, srcv, srcw, srce, srcp; + + flxrho = cdtdx * (flxx(i + 1, j, k, URHO) - flxx(i, j, k, URHO)) + + cdtdy * (flxy(i, j + 1, k, URHO) - flxy(i, j, k, URHO)); + flxu = cdtdx * (flxx(i + 1, j, k, UMX) - flxx(i, j, k, UMX)) + + cdtdy * (flxy(i, j + 1, k, UMX) - flxy(i, j, k, UMX)); + flxv = cdtdx * (flxx(i + 1, j, k, UMY) - flxx(i, j, k, UMY)) + + cdtdy * (flxy(i, j + 1, k, UMY) - flxy(i, j, k, UMY)); + flxw = cdtdx * (flxx(i + 1, j, k, UMZ) - flxx(i, j, k, UMZ)) + + cdtdy * (flxy(i, j + 1, k, UMZ) - flxy(i, j, k, UMZ)); + flxe = cdtdx * (flxx(i + 1, j, k, UEDEN) - flxx(i, j, k, UEDEN)) + + cdtdy * (flxy(i, j + 1, k, UEDEN) - flxy(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + srcrho = srcq(i, j, k, QRHO); + srcu = srcq(i, j, k, QU); + srcv = srcq(i, j, k, QV); + srcw = srcq(i, j, k, QW); + srce = srcq(i, j, k, QREINT); + srcp = srcq(i, j, k, QPRES); + + // Update passive variables + rrr = qzp(i, j, k, QRHO); + rrl = qzm(i, j, k + 1, QRHO); + rrnewl = rrl - flxrho; + rrnewr = rrr - flxrho; + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + srcpass = srcq(i, j, k, nqp); + compn = cdtdx * (flxx(i + 1, j, k, n) - flxx(i, j, k, n)) + + cdtdy * (flxy(i, j + 1, k, n) - flxy(i, j, k, n)); + // qp + compo = rrr * qzp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnewr + hdt * srcpass; + // qm + compo = rrl * qzm(i, j, k + 1, nqp) - compn; + qm(i, j, k + 1, nqp) = compo / rrnewl + hdt * srcpass; + } + + // Update hydro vars + pggpx = qx(i + 1, j, k, GDPRES); + pggmx = qx(i, j, k, GDPRES); + ugpx = qx(i + 1, j, k, GDU); + ugmx = qx(i, j, k, GDU); + + dAupx = pggpx * ugpx - pggmx * ugmx; + pavx = 0.5 * (pggpx + pggmx); + dAux = ugpx - ugmx; + + pggpy = qy(i, j + 1, k, GDPRES); + pggmy = qy(i, j, k, GDPRES); + ugpy = qy(i, j + 1, k, GDV); + ugmy = qy(i, j, k, GDV); + + dAupy = pggpy * ugpy - pggmy * ugmy; + pavy = 0.5 * (pggpy + pggmy); + dAuy = ugpy - ugmy; + amrex::Real pxnew = cdtdx * (dAupx + pavx * dAux * (c - 1.0)); + amrex::Real pynew = cdtdy * (dAupy + pavy * dAuy * (c - 1.0)); + + // qp state + rur = rrr * qzp(i, j, k, QU); + rvr = rrr * qzp(i, j, k, QV); + rwr = rrr * qzp(i, j, k, QW); + ekinr = 0.5 * (rur * rur + rvr * rvr + rwr * rwr) / rrr; + rer = qzp(i, j, k, QREINT) + ekinr; + + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + qp(i, j, k, QRHO) = rrnewr + hdt * srcrho; + qp(i, j, k, QU) = runewr / rrnewr + hdt * srcu; + qp(i, j, k, QV) = rvnewr / rrnewr + hdt * srcv; + qp(i, j, k, QW) = rwnewr / rrnewr + hdt * srcw; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + qp(i, j, k, QREINT) = renewr - rhoekinr + hdt * srce; + amrex::Real temppres = qzp(i, j, k, QPRES) - pxnew - pynew + hdt * srcp; + qp(i, j, k, QPRES) = amrex::max(temppres, SMALL_PRES); + + // qm state + rul = rrl * qzm(i, j, k + 1, QU); + rvl = rrl * qzm(i, j, k + 1, QV); + rwl = rrl * qzm(i, j, k + 1, QW); + ekinl = 0.5 * (rul * rul + rvl * rvl + rwl * rwl) / rrl; + rel = qzm(i, j, k + 1, QREINT) + ekinl; + + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i, j, k + 1, QRHO) = rrnewl + hdt * srcrho; + qm(i, j, k + 1, QU) = runewl / rrnewl + hdt * srcu; + qm(i, j, k + 1, QV) = rvnewl / rrnewl + hdt * srcv; + qm(i, j, k + 1, QW) = rwnewl / rrnewl + hdt * srcw; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + qm(i, j, k + 1, QREINT) = renewl - rhoekinl + hdt * srce; + temppres = qzm(i, j, k + 1, QPRES) - pxnew - pynew + hdt * srcp; + qm(i, j, k + 1, QPRES) = amrex::max(temppres, SMALL_PRES); +} + +// Y corrected by x and z +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transxz( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qym, + amrex::Array4 const& qyp, + amrex::Array4 const& flxx, + amrex::Array4 const& flxz, + amrex::Array4 const& qx, + amrex::Array4 const& qz, + amrex::Array4 const& qa, + amrex::Array4 const& srcq, + const amrex::Real hdt, + const amrex::Real cdtdx, + const amrex::Real cdtdz) +{ + amrex::Real compn, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggpx, pggmx, ugpx, ugmx; + amrex::Real dAupx, pavx, dAux; + amrex::Real pggpz, pggmz, ugpz, ugmz; + amrex::Real dAupz, pavz, dAuz; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + amrex::Real srcpass, srcrho, srcu, srcv, srcw, srce, srcp; + + flxrho = cdtdx * (flxx(i + 1, j, k, URHO) - flxx(i, j, k, URHO)) + + cdtdz * (flxz(i, j, k + 1, URHO) - flxz(i, j, k, URHO)); + flxu = cdtdx * (flxx(i + 1, j, k, UMX) - flxx(i, j, k, UMX)) + + cdtdz * (flxz(i, j, k + 1, UMX) - flxz(i, j, k, UMX)); + flxv = cdtdx * (flxx(i + 1, j, k, UMY) - flxx(i, j, k, UMY)) + + cdtdz * (flxz(i, j, k + 1, UMY) - flxz(i, j, k, UMY)); + flxw = cdtdx * (flxx(i + 1, j, k, UMZ) - flxx(i, j, k, UMZ)) + + cdtdz * (flxz(i, j, k + 1, UMZ) - flxz(i, j, k, UMZ)); + flxe = cdtdx * (flxx(i + 1, j, k, UEDEN) - flxx(i, j, k, UEDEN)) + + cdtdz * (flxz(i, j, k + 1, UEDEN) - flxz(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + srcrho = srcq(i, j, k, QRHO); + srcu = srcq(i, j, k, QU); + srcv = srcq(i, j, k, QV); + srcw = srcq(i, j, k, QW); + srce = srcq(i, j, k, QREINT); + srcp = srcq(i, j, k, QPRES); + + // Update passive variables + rrr = qyp(i, j, k, QRHO); + rrl = qym(i, j + 1, k, QRHO); + rrnewl = rrl - flxrho; + rrnewr = rrr - flxrho; + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + srcpass = srcq(i, j, k, nqp); + compn = cdtdx * (flxx(i + 1, j, k, n) - flxx(i, j, k, n)) + + cdtdz * (flxz(i, j, k + 1, n) - flxz(i, j, k, n)); + // qp + compo = rrr * qyp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnewr + hdt * srcpass; + // qm + compo = rrl * qym(i, j + 1, k, nqp) - compn; + qm(i, j + 1, k, nqp) = compo / rrnewl + hdt * srcpass; + } + + // Update hydro vars + pggpx = qx(i + 1, j, k, GDPRES); + pggmx = qx(i, j, k, GDPRES); + ugpx = qx(i + 1, j, k, GDU); + ugmx = qx(i, j, k, GDU); + + dAupx = pggpx * ugpx - pggmx * ugmx; + pavx = 0.5 * (pggpx + pggmx); + dAux = ugpx - ugmx; + + pggpz = qz(i, j, k + 1, GDPRES); + pggmz = qz(i, j, k, GDPRES); + ugpz = qz(i, j, k + 1, GDW); + ugmz = qz(i, j, k, GDW); + + dAupz = pggpz * ugpz - pggmz * ugmz; + pavz = 0.5 * (pggpz + pggmz); + dAuz = ugpz - ugmz; + amrex::Real pxnew = cdtdx * (dAupx + pavx * dAux * (c - 1.0)); + amrex::Real pznew = cdtdz * (dAupz + pavz * dAuz * (c - 1.0)); + + // qp state + rur = rrr * qyp(i, j, k, QU); + rvr = rrr * qyp(i, j, k, QV); + rwr = rrr * qyp(i, j, k, QW); + ekinr = 0.5 * (rur * rur + rvr * rvr + rwr * rwr) / rrr; + rer = qyp(i, j, k, QREINT) + ekinr; + + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + qp(i, j, k, QRHO) = rrnewr + hdt * srcrho; + qp(i, j, k, QU) = runewr / rrnewr + hdt * srcu; + qp(i, j, k, QV) = rvnewr / rrnewr + hdt * srcv; + qp(i, j, k, QW) = rwnewr / rrnewr + hdt * srcw; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + qp(i, j, k, QREINT) = renewr - rhoekinr + hdt * srce; + amrex::Real temppres = qyp(i, j, k, QPRES) - pxnew - pznew + hdt * srcp; + qp(i, j, k, QPRES) = amrex::max(temppres, SMALL_PRES); + + // qm state + rul = rrl * qym(i, j + 1, k, QU); + rvl = rrl * qym(i, j + 1, k, QV); + rwl = rrl * qym(i, j + 1, k, QW); + ekinl = 0.5 * (rul * rul + rvl * rvl + rwl * rwl) / rrl; + rel = qym(i, j + 1, k, QREINT) + ekinl; + + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i, j + 1, k, QRHO) = rrnewl + hdt * srcrho; + qm(i, j + 1, k, QU) = runewl / rrnewl + hdt * srcu; + qm(i, j + 1, k, QV) = rvnewl / rrnewl + hdt * srcv; + qm(i, j + 1, k, QW) = rwnewl / rrnewl + hdt * srcw; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + qm(i, j + 1, k, QREINT) = renewl - rhoekinl + hdt * srce; + temppres = qym(i, j + 1, k, QPRES) - pxnew - pznew + hdt * srcp; + qm(i, j + 1, k, QPRES) = amrex::max(temppres, SMALL_PRES); +} + +// x corrected by y and z +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_transyz( + const int i, + const int j, + const int k, + amrex::Array4 const& qm, + amrex::Array4 const& qp, + amrex::Array4 const& qxm, + amrex::Array4 const& qxp, + amrex::Array4 const& flxy, + amrex::Array4 const& flxz, + amrex::Array4 const& qy, + amrex::Array4 const& qz, + amrex::Array4 const& qa, + amrex::Array4 const& srcq, + const amrex::Real hdt, + const amrex::Real cdtdy, + const amrex::Real cdtdz) +{ + amrex::Real compn, compo, rwr, c; + amrex::Real rrr, rur, rvr, ekinr, rer, rrnewr; + amrex::Real runewr, rvnewr, rwnewr, renewr, rhoekinr; + amrex::Real rrl, rul, rvl, ekinl, rel, rrnewl, runewl, rvnewl, rwnewl, renewl; + amrex::Real rhoekinl, rwl; + amrex::Real pggpz, pggmz, ugpz, ugmz; + amrex::Real dAupz, pavz, dAuz; + amrex::Real pggpy, pggmy, ugpy, ugmy; + amrex::Real dAupy, pavy, dAuy; + amrex::Real flxrho, flxu, flxv, flxw, flxe; + amrex::Real srcpass, srcrho, srcu, srcv, srcw, srce, srcp; + + flxrho = cdtdy * (flxy(i, j + 1, k, URHO) - flxy(i, j, k, URHO)) + + cdtdz * (flxz(i, j, k + 1, URHO) - flxz(i, j, k, URHO)); + flxu = cdtdy * (flxy(i, j + 1, k, UMX) - flxy(i, j, k, UMX)) + + cdtdz * (flxz(i, j, k + 1, UMX) - flxz(i, j, k, UMX)); + flxv = cdtdy * (flxy(i, j + 1, k, UMY) - flxy(i, j, k, UMY)) + + cdtdz * (flxz(i, j, k + 1, UMY) - flxz(i, j, k, UMY)); + flxw = cdtdy * (flxy(i, j + 1, k, UMZ) - flxy(i, j, k, UMZ)) + + cdtdz * (flxz(i, j, k + 1, UMZ) - flxz(i, j, k, UMZ)); + flxe = cdtdy * (flxy(i, j + 1, k, UEDEN) - flxy(i, j, k, UEDEN)) + + cdtdz * (flxz(i, j, k + 1, UEDEN) - flxz(i, j, k, UEDEN)); + c = qa(i, j, k, QGAMC); + srcrho = srcq(i, j, k, QRHO); + srcu = srcq(i, j, k, QU); + srcv = srcq(i, j, k, QV); + srcw = srcq(i, j, k, QW); + srce = srcq(i, j, k, QREINT); + srcp = srcq(i, j, k, QPRES); + + // Update passive variables + rrr = qxp(i, j, k, QRHO); + rrl = qxm(i + 1, j, k, QRHO); + rrnewl = rrl - flxrho; + rrnewr = rrr - flxrho; + + for (int ipass = 0; ipass < NPASSIVE; ++ipass) { + int n = indxmap::upass_map(ipass); + int nqp = indxmap::qpass_map(ipass); + srcpass = srcq(i, j, k, nqp); + compn = cdtdy * (flxy(i, j + 1, k, n) - flxy(i, j, k, n)) + + cdtdz * (flxz(i, j, k + 1, n) - flxz(i, j, k, n)); + // qp + compo = rrr * qxp(i, j, k, nqp) - compn; + qp(i, j, k, nqp) = compo / rrnewr + hdt * srcpass; + // qm + compo = rrl * qxm(i + 1, j, k, nqp) - compn; + qm(i + 1, j, k, nqp) = compo / rrnewl + hdt * srcpass; + } + + // Update hydro vars + pggpz = qz(i, j, k + 1, GDPRES); + pggmz = qz(i, j, k, GDPRES); + ugpz = qz(i, j, k + 1, GDW); + ugmz = qz(i, j, k, GDW); + + dAupz = pggpz * ugpz - pggmz * ugmz; + pavz = 0.5 * (pggpz + pggmz); + dAuz = ugpz - ugmz; + + pggpy = qy(i, j + 1, k, GDPRES); + pggmy = qy(i, j, k, GDPRES); + ugpy = qy(i, j + 1, k, GDV); + ugmy = qy(i, j, k, GDV); + + dAupy = pggpy * ugpy - pggmy * ugmy; + pavy = 0.5 * (pggpy + pggmy); + dAuy = ugpy - ugmy; + amrex::Real pznew = cdtdz * (dAupz + pavz * dAuz * (c - 1.0)); + amrex::Real pynew = cdtdy * (dAupy + pavy * dAuy * (c - 1.0)); + + // qp state + rur = rrr * qxp(i, j, k, QU); + rvr = rrr * qxp(i, j, k, QV); + rwr = rrr * qxp(i, j, k, QW); + ekinr = 0.5 * (rur * rur + rvr * rvr + rwr * rwr) / rrr; + rer = qxp(i, j, k, QREINT) + ekinr; + + runewr = rur - flxu; + rvnewr = rvr - flxv; + rwnewr = rwr - flxw; + renewr = rer - flxe; + + qp(i, j, k, QRHO) = rrnewr + hdt * srcrho; + qp(i, j, k, QU) = runewr / rrnewr + hdt * srcu; + qp(i, j, k, QV) = rvnewr / rrnewr + hdt * srcv; + qp(i, j, k, QW) = rwnewr / rrnewr + hdt * srcw; + rhoekinr = + 0.5 * (runewr * runewr + rvnewr * rvnewr + rwnewr * rwnewr) / rrnewr; + qp(i, j, k, QREINT) = renewr - rhoekinr + hdt * srce; + amrex::Real temppres = qxp(i, j, k, QPRES) - pznew - pynew + hdt * srcp; + qp(i, j, k, QPRES) = amrex::max(temppres, SMALL_PRES); + + // qm state + rul = rrl * qxm(i + 1, j, k, QU); + rvl = rrl * qxm(i + 1, j, k, QV); + rwl = rrl * qxm(i + 1, j, k, QW); + ekinl = 0.5 * (rul * rul + rvl * rvl + rwl * rwl) / rrl; + rel = qxm(i + 1, j, k, QREINT) + ekinl; + + runewl = rul - flxu; + rvnewl = rvl - flxv; + rwnewl = rwl - flxw; + renewl = rel - flxe; + + qm(i + 1, j, k, QRHO) = rrnewl + hdt * srcrho; + qm(i + 1, j, k, QU) = runewl / rrnewl + hdt * srcu; + qm(i + 1, j, k, QV) = rvnewl / rrnewl + hdt * srcv; + qm(i + 1, j, k, QW) = rwnewl / rrnewl + hdt * srcw; + rhoekinl = + 0.5 * (runewl * runewl + rvnewl * rvnewl + rwnewl * rwnewl) / rrnewl; + qm(i + 1, j, k, QREINT) = renewl - rhoekinl + hdt * srce; + temppres = qxm(i + 1, j, k, QPRES) - pznew - pynew + hdt * srcp; + qm(i + 1, j, k, QPRES) = amrex::max(temppres, SMALL_PRES); +} + +// Use interface states from Riemann solver for pdivu. +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_pdivu( + const int i, + const int j, + const int k, + amrex::Array4 const& pdivu, + AMREX_D_DECL( + amrex::Array4 const& q1, + amrex::Array4 const& q2, + amrex::Array4 const& q3), + AMREX_D_DECL( + amrex::Array4 const& a1, + amrex::Array4 const& a2, + amrex::Array4 const& a3), + amrex::Array4 const& vol) +{ + pdivu(i, j, k) = 0.5 * + (AMREX_D_TERM( + (q1(i + 1, j, k, GDPRES) + q1(i, j, k, GDPRES)) * + (q1(i + 1, j, k, GDU) * a1(i + 1, j, k) - + q1(i, j, k, GDU) * a1(i, j, k)), + +(q2(i, j + 1, k, GDPRES) + q2(i, j, k, GDPRES)) * + (q2(i, j + 1, k, GDV) * a2(i, j + 1, k) - + q2(i, j, k, GDV) * a2(i, j, k)), + +(q3(i, j, k + 1, GDPRES) + q3(i, j, k, GDPRES)) * + (q3(i, j, k + 1, GDW) * a3(i, j, k + 1) - + q3(i, j, k, GDW) * a3(i, j, k)))) / + vol(i, j, k); +} + +// Consup Support Functions +// Designed for CPU or GPU +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_artif_visc( + const int i, + const int j, + const int k, + amrex::Array4 const& flx, + amrex::Array4 const& div, + amrex::Array4 const& u, + amrex::Real const dx, + amrex::Real const difmag, + const int dir) +{ + amrex::Real div1; + if (dir == 0) { // X direction + AMREX_D_PICK(div1 = div(i, j, k); + , div1 = 0.5 * (div(i, j, k) + div(i, j + 1, k)); + , div1 = 0.25 * (div(i, j, k) + div(i, j + 1, k) + + div(i, j, k + 1) + div(i, j + 1, k + 1));); + div1 = difmag * amrex::min(0.0, div1); + for (int n = 0; n < NVAR; ++n) { + if (n != UTEMP) { + // Passing in difmag TODO not pass in. + flx(i, j, k, n) += dx * div1 * (u(i, j, k, n) - u(i - 1, j, k, n)); + } + } + } else if (dir == 1) { // Y direction + AMREX_D_PICK(, div1 = 0.5 * (div(i, j, k) + div(i + 1, j, k)); + , div1 = 0.25 * (div(i, j, k) + div(i + 1, j, k) + + div(i, j, k + 1) + div(i + 1, j, k + 1));); + div1 = difmag * amrex::min(0.0, div1); + for (int n = 0; n < NVAR; ++n) { + if (n != UTEMP) { + flx(i, j, k, n) += + dx * div1 * (u(i, j, k, n) - u(i, j - 1, k, n)); // Here dx is dy + } + } + } else { // Z direction + div1 = 0.25 * (div(i, j, k) + div(i + 1, j, k) + div(i, j + 1, k) + + div(i + 1, j + 1, k)); + div1 = difmag * amrex::min(0.0, div1); + for (int n = 0; n < NVAR; ++n) { + if (n != UTEMP) { + flx(i, j, k, n) += + dx * div1 * (u(i, j, k, n) - u(i, j, k - 1, n)); // Here dx is dz + } + } + } + flx(i, j, k, UTEMP) = 0.0; +} + +// Host Functions +void pc_umeth_3D( + amrex::Box const& bx, + const int* bclo, + const int* bchi, + const int* domlo, + const int* domhi, + amrex::Array4 const& q, + amrex::Array4 const& qaux, + amrex::Array4 const& srcQ, + amrex::Array4 const& flx1, + amrex::Array4 const& flx2, + amrex::Array4 const& flx3, + amrex::Array4 const& q1, + amrex::Array4 const& q2, + amrex::Array4 const& q3, + amrex::Array4 const& a1, + amrex::Array4 const& a2, + amrex::Array4 const& a3, + amrex::Array4 const& pdivu, + amrex::Array4 const& vol, + const amrex::Real* del, + const amrex::Real dt); + +void pc_umeth_2D( + amrex::Box const& bx, + const int* bclo, + const int* bchi, + const int* domlo, + const int* domhi, + amrex::Array4 const& q, + amrex::Array4 const& qaux, + amrex::Array4 const& srcQ, + amrex::Array4 const& flx1, + amrex::Array4 const& flx2, + // amrex::Array4 const& dloga, + amrex::Array4 const& q1, + amrex::Array4 const& q2, + amrex::Array4 const& a1, + amrex::Array4 const& a2, + amrex::Array4 const& pdivu, + amrex::Array4 const& vol, + const amrex::Real* del, + const amrex::Real dt); + +#endif diff --git a/SourceCpp/PLM.cpp b/SourceCpp/PLM.cpp new file mode 100644 index 000000000..29b464333 --- /dev/null +++ b/SourceCpp/PLM.cpp @@ -0,0 +1,571 @@ +#include "PLM.H" + +// Host function to call gpu hydro functions +void +pc_umeth_3D( + amrex::Box const& bx, + const int* bclo, + const int* bchi, + const int* domlo, + const int* domhi, + amrex::Array4 const& q, + amrex::Array4 const& qaux, + amrex::Array4 const& + srcQ, // amrex::IArrayBox const& bcMask, + amrex::Array4 const& flx1, + amrex::Array4 const& flx2, + amrex::Array4 const& + flx3, // amrex::Array4 const& dloga, + amrex::Array4 const& q1, + amrex::Array4 const& q2, + amrex::Array4 const& q3, + amrex::Array4 const& a1, + amrex::Array4 const& a2, + amrex::Array4 const& a3, + amrex::Array4 const& pdivu, + amrex::Array4 const& vol, + const amrex::Real* del, + const amrex::Real dt) +{ + amrex::Real const dx = del[0]; + amrex::Real const dy = del[1]; + amrex::Real const dz = del[2]; + amrex::Real const hdtdx = 0.5 * dt / dx; + amrex::Real const hdtdy = 0.5 * dt / dy; + amrex::Real const hdtdz = 0.5 * dt / dz; + amrex::Real const cdtdx = 1.0 / 3.0 * dt / dx; + amrex::Real const cdtdy = 1.0 / 3.0 * dt / dy; + amrex::Real const cdtdz = 1.0 / 3.0 * dt / dz; + amrex::Real const hdt = 0.5 * dt; + + const int bclx = bclo[0]; + const int bcly = bclo[1]; + const int bclz = bclo[2]; + const int bchx = bchi[0]; + const int bchy = bchi[1]; + const int bchz = bchi[2]; + const int dlx = domlo[0]; + const int dly = domlo[1]; + const int dlz = domlo[2]; + const int dhx = domhi[0]; + const int dhy = domhi[1]; + const int dhz = domhi[2]; + + // auto const& bcMaskarr = bcMask.array(); + const amrex::Box& bxg1 = grow(bx, 1); + const amrex::Box& bxg2 = grow(bx, 2); + + // X data + int cdir = 0; + const amrex::Box& xmbx = growHi(bxg2, cdir, 1); + amrex::FArrayBox qxm(xmbx, QVAR); + amrex::FArrayBox qxp(bxg2, QVAR); + amrex::Elixir qxmeli = qxm.elixir(); + amrex::Elixir qxpeli = qxp.elixir(); + auto const& qxmarr = qxm.array(); + auto const& qxparr = qxp.array(); + + // Y data + cdir = 1; + const amrex::Box& yflxbx = surroundingNodes(grow(bxg2, cdir, -1), cdir); + const amrex::Box& ymbx = growHi(bxg2, cdir, 1); + amrex::FArrayBox qym(ymbx, QVAR); + amrex::FArrayBox qyp(bxg2, QVAR); + amrex::Elixir qymeli = qym.elixir(); + amrex::Elixir qypeli = qyp.elixir(); + auto const& qymarr = qym.array(); + auto const& qyparr = qyp.array(); + + // Z data + cdir = 2; + const amrex::Box& zmbx = growHi(bxg2, cdir, 1); + const amrex::Box& zflxbx = surroundingNodes(grow(bxg2, cdir, -1), cdir); + amrex::FArrayBox qzm(zmbx, QVAR); + amrex::FArrayBox qzp(bxg2, QVAR); + amrex::Elixir qzmeli = qzm.elixir(); + amrex::Elixir qzpeli = qzp.elixir(); + auto const& qzmarr = qzm.array(); + auto const& qzparr = qzp.array(); + + // Put the PLM and slopes in the same kernel launch to avoid unnecessary + // launch overhead Pelec_Slope_* are SIMD as well as PeleC_plm_* which loop + // over the same box + amrex::ParallelFor(bxg2, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real slope[QVAR]; + // X slopes and interp + for (int n = 0; n < QVAR; ++n) + slope[n] = plm_slope(i, j, k, n, 0, q); + pc_plm_x(i, j, k, qxmarr, qxparr, slope, q, qaux(i, j, k, QC), dx, dt); + + // Y slopes and interp + for (int n = 0; n < QVAR; n++) + slope[n] = plm_slope(i, j, k, n, 1, q); + pc_plm_y(i, j, k, qymarr, qyparr, slope, q, qaux(i, j, k, QC), dy, dt); + + // Z slopes and interp + for (int n = 0; n < QVAR; ++n) + slope[n] = plm_slope(i, j, k, n, 2, q); + pc_plm_z(i, j, k, qzmarr, qzparr, slope, q, qaux(i, j, k, QC), dz, dt); + }); + + // These are the first flux estimates as per the corner-transport-upwind + // method X initial fluxes + cdir = 0; + const amrex::Box& xflxbx = surroundingNodes(grow(bxg2, cdir, -1), cdir); + amrex::FArrayBox fx(xflxbx, NVAR); + amrex::Elixir fxeli = fx.elixir(); + auto const& fxarr = fx.array(); + amrex::FArrayBox qgdx(xflxbx, NGDNV); + amrex::Elixir qgdxeli = qgdx.elixir(); + auto const& gdtempx = qgdx.array(); + amrex::ParallelFor( + xflxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx( + i, j, k, bclx, bchx, dlx, dhx, qxmarr, qxparr, fxarr, gdtempx, qaux, + cdir); + }); + + // Y initial fluxes + cdir = 1; + amrex::FArrayBox fy(yflxbx, NVAR); + amrex::Elixir fyeli = fy.elixir(); + auto const& fyarr = fy.array(); + amrex::FArrayBox qgdy(yflxbx, NGDNV); + amrex::Elixir qgdyeli = qgdy.elixir(); + auto const& gdtempy = qgdy.array(); + amrex::ParallelFor( + yflxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx( + i, j, k, bcly, bchy, dly, dhy, qymarr, qyparr, fyarr, gdtempy, qaux, + cdir); + }); + + // Z initial fluxes + cdir = 2; + amrex::FArrayBox fz(zflxbx, NVAR); + amrex::Elixir fzeli = fz.elixir(); + auto const& fzarr = fz.array(); + amrex::FArrayBox qgdz(zflxbx, NGDNV); + amrex::Elixir qgdzeli = qgdz.elixir(); + auto const& gdtempz = qgdz.array(); + amrex::ParallelFor( + zflxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx( + i, j, k, bclz, bchz, dlz, dhz, qzmarr, qzparr, fzarr, gdtempz, qaux, + cdir); + }); + + // X interface corrections + cdir = 0; + const amrex::Box& txbx = grow(bxg1, cdir, 1); + const amrex::Box& txbxm = growHi(txbx, cdir, 1); + amrex::FArrayBox qxym(txbxm, QVAR); + amrex::Elixir qxymeli = qxym.elixir(); + amrex::FArrayBox qxyp(txbx, QVAR); + amrex::Elixir qxypeli = qxyp.elixir(); + auto const& qmxy = qxym.array(); + auto const& qpxy = qxyp.array(); + + amrex::FArrayBox qxzm(txbxm, QVAR); + amrex::Elixir qxzmeli = qxzm.elixir(); + amrex::FArrayBox qxzp(txbx, QVAR); + amrex::Elixir qxzpeli = qxzp.elixir(); + auto const& qmxz = qxzm.array(); + auto const& qpxz = qxzp.array(); + + amrex::ParallelFor(txbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // X|Y + pc_transy1( + i, j, k, qmxy, qpxy, qxmarr, qxparr, fyarr, qaux, gdtempy, cdtdy); + // X|Z + pc_transz1( + i, j, k, qmxz, qpxz, qxmarr, qxparr, fzarr, qaux, gdtempz, cdtdz); + }); + + const amrex::Box& txfxbx = surroundingNodes(bxg1, cdir); + amrex::FArrayBox fluxxy(txfxbx, NVAR); + amrex::FArrayBox fluxxz(txfxbx, NVAR); + amrex::FArrayBox gdvxyfab(txfxbx, NGDNV); + amrex::FArrayBox gdvxzfab(txfxbx, NGDNV); + amrex::Elixir fluxxyeli = fluxxy.elixir(), gdvxyeli = gdvxyfab.elixir(); + amrex::Elixir fluxxzeli = fluxxz.elixir(), gdvxzeli = gdvxzfab.elixir(); + + auto const& flxy = fluxxy.array(); + auto const& flxz = fluxxz.array(); + auto const& qxy = gdvxyfab.array(); + auto const& qxz = gdvxzfab.array(); + + // Riemann problem X|Y X|Z + amrex::ParallelFor( + txfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // X|Y + pc_cmpflx( + i, j, k, bclx, bchx, dlx, dhx, qmxy, qpxy, flxy, qxy, qaux, cdir); + // X|Z + pc_cmpflx( + i, j, k, bclx, bchx, dlx, dhx, qmxz, qpxz, flxz, qxz, qaux, cdir); + }); + + qxymeli.clear(); + qxypeli.clear(); + qxzmeli.clear(); + qxzpeli.clear(); + + // Y interface corrections + cdir = 1; + const amrex::Box& tybx = grow(bxg1, cdir, 1); + const amrex::Box& tybxm = growHi(tybx, cdir, 1); + amrex::FArrayBox qyxm(tybxm, QVAR); + amrex::FArrayBox qyxp(tybx, QVAR); + amrex::FArrayBox qyzm(tybxm, QVAR); + amrex::FArrayBox qyzp(tybx, QVAR); + amrex::Elixir qyxmeli = qyxm.elixir(), qyxpeli = qyxp.elixir(); + amrex::Elixir qyzmeli = qyzm.elixir(), qyzpeli = qyzp.elixir(); + auto const& qmyx = qyxm.array(); + auto const& qpyx = qyxp.array(); + auto const& qmyz = qyzm.array(); + auto const& qpyz = qyzp.array(); + + amrex::ParallelFor(tybx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // Y|X + pc_transx1( + i, j, k, qmyx, qpyx, qymarr, qyparr, fxarr, qaux, gdtempx, cdtdx); + // Y|Z + pc_transz2( + i, j, k, qmyz, qpyz, qymarr, qyparr, fzarr, qaux, gdtempz, cdtdz); + }); + + fzeli.clear(); + qgdzeli.clear(); + + // Riemann problem Y|X Y|Z + const amrex::Box& tyfxbx = surroundingNodes(bxg1, cdir); + amrex::FArrayBox fluxyx(tyfxbx, NVAR); + amrex::FArrayBox fluxyz(tyfxbx, NVAR); + amrex::FArrayBox gdvyxfab(tyfxbx, NGDNV); + amrex::FArrayBox gdvyzfab(tyfxbx, NGDNV); + amrex::Elixir fluxyxeli = fluxyx.elixir(), gdvyxeli = gdvyxfab.elixir(); + amrex::Elixir fluxyzeli = fluxyz.elixir(), gdvyzeli = gdvyzfab.elixir(); + + auto const& flyx = fluxyx.array(); + auto const& flyz = fluxyz.array(); + auto const& qyx = gdvyxfab.array(); + auto const& qyz = gdvyzfab.array(); + + amrex::ParallelFor( + tyfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // Y|X + pc_cmpflx( + i, j, k, bcly, bchy, dly, dhy, qmyx, qpyx, flyx, qyx, qaux, cdir); + // Y|Z + pc_cmpflx( + i, j, k, bcly, bchy, dly, dhy, qmyz, qpyz, flyz, qyz, qaux, cdir); + }); + + qyxmeli.clear(); + qyxpeli.clear(); + qyzmeli.clear(); + qyzpeli.clear(); + + // Z interface corrections + cdir = 2; + const amrex::Box& tzbx = grow(bxg1, cdir, 1); + const amrex::Box& tzbxm = growHi(tzbx, cdir, 1); + amrex::FArrayBox qzxm(tzbxm, QVAR); + amrex::FArrayBox qzxp(tzbx, QVAR); + amrex::FArrayBox qzym(tzbxm, QVAR); + amrex::FArrayBox qzyp(tzbx, QVAR); + amrex::Elixir qzxmeli = qzxm.elixir(), qzxpeli = qzxp.elixir(); + amrex::Elixir qzymeli = qzym.elixir(), qzypeli = qzyp.elixir(); + + auto const& qmzx = qzxm.array(); + auto const& qpzx = qzxp.array(); + auto const& qmzy = qzym.array(); + auto const& qpzy = qzyp.array(); + + amrex::ParallelFor(tzbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // Z|X + pc_transx2( + i, j, k, qmzx, qpzx, qzmarr, qzparr, fxarr, qaux, gdtempx, cdtdx); + // Z|Y + pc_transy2( + i, j, k, qmzy, qpzy, qzmarr, qzparr, fyarr, qaux, gdtempy, cdtdy); + }); + + fxeli.clear(); + fyeli.clear(); + qgdxeli.clear(); + qgdyeli.clear(); + + // Riemann problem Z|X Z|Y + const amrex::Box& tzfxbx = surroundingNodes(bxg1, cdir); + amrex::FArrayBox fluxzx(tzfxbx, NVAR); + amrex::FArrayBox fluxzy(tzfxbx, NVAR); + amrex::FArrayBox gdvzxfab(tzfxbx, NGDNV); + amrex::FArrayBox gdvzyfab(tzfxbx, NGDNV); + amrex::Elixir fluxzxeli = fluxzx.elixir(), gdvzxeli = gdvzxfab.elixir(); + amrex::Elixir fluxzyeli = fluxzy.elixir(), gdvzyeli = gdvzyfab.elixir(); + + auto const& flzx = fluxzx.array(); + auto const& flzy = fluxzy.array(); + auto const& qzx = gdvzxfab.array(); + auto const& qzy = gdvzyfab.array(); + + amrex::ParallelFor( + tzfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // Z|X + pc_cmpflx( + i, j, k, bclz, bchz, dlz, dhz, qmzx, qpzx, flzx, qzx, qaux, cdir); + // Z|Y + pc_cmpflx( + i, j, k, bclz, bchz, dlz, dhz, qmzy, qpzy, flzy, qzy, qaux, cdir); + }); + + qzxmeli.clear(); + qzxpeli.clear(); + qzymeli.clear(); + qzypeli.clear(); + + // Temp Fabs for Final Fluxes + amrex::FArrayBox qmfab(bxg2, QVAR); + amrex::FArrayBox qpfab(bxg1, QVAR); + amrex::Elixir qmeli = qmfab.elixir(); + amrex::Elixir qpeli = qpfab.elixir(); + auto const& qm = qmfab.array(); + auto const& qp = qpfab.array(); + + // X | Y&Z + cdir = 0; + const amrex::Box& xfxbx = surroundingNodes(bx, cdir); + const amrex::Box& tyzbx = grow(bx, cdir, 1); + amrex::ParallelFor(tyzbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_transyz( + i, j, k, qm, qp, qxmarr, qxparr, flyz, flzy, qyz, qzy, qaux, srcQ, hdt, + hdtdy, hdtdz); + }); + + fluxzyeli.clear(); + gdvzyeli.clear(); + gdvyzeli.clear(); + fluxyzeli.clear(); + qxmeli.clear(); + qxpeli.clear(); + // Final X flux + amrex::ParallelFor(xfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx(i, j, k, bclx, bchx, dlx, dhx, qm, qp, flx1, q1, qaux, cdir); + }); + + // Y | X&Z + cdir = 1; + const amrex::Box& yfxbx = surroundingNodes(bx, cdir); + const amrex::Box& txzbx = grow(bx, cdir, 1); + amrex::ParallelFor(txzbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_transxz( + i, j, k, qm, qp, qymarr, qyparr, flxz, flzx, qxz, qzx, qaux, srcQ, hdt, + hdtdx, hdtdz); + }); + + fluxzxeli.clear(); + gdvzxeli.clear(); + gdvxzeli.clear(); + fluxxzeli.clear(); + qymeli.clear(); + qypeli.clear(); + // Final Y flux + amrex::ParallelFor(yfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx(i, j, k, bcly, bchy, dly, dhy, qm, qp, flx2, q2, qaux, cdir); + }); + + // Z | X&Y + cdir = 2; + const amrex::Box& zfxbx = surroundingNodes(bx, cdir); + const amrex::Box& txybx = grow(bx, cdir, 1); + amrex::ParallelFor(txybx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_transxy( + i, j, k, qm, qp, qzmarr, qzparr, flxy, flyx, qxy, qyx, qaux, srcQ, hdt, + hdtdx, hdtdy); + }); + + gdvyxeli.clear(); + fluxyxeli.clear(); + gdvxyeli.clear(); + fluxxyeli.clear(); + qzmeli.clear(); + qzpeli.clear(); + // Final Z flux + amrex::ParallelFor(zfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx(i, j, k, bclz, bchz, dlz, dhz, qm, qp, flx3, q3, qaux, cdir); + }); + + qmeli.clear(); + qpeli.clear(); + // Construct p div{U} + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_pdivu( + i, j, k, pdivu, AMREX_D_DECL(q1, q2, q3), AMREX_D_DECL(a1, a2, a3), vol); + }); +} + +void +pc_umeth_2D( + amrex::Box const& bx, + const int* bclo, + const int* bchi, + const int* domlo, + const int* domhi, + amrex::Array4 const& q, + amrex::Array4 const& qaux, + amrex::Array4 const& + srcQ, // amrex::IArrayBox const& bcMask, + amrex::Array4 const& flx1, + amrex::Array4 const& flx2, + // amrex::Array4 const& dloga, + amrex::Array4 const& q1, + amrex::Array4 const& q2, + amrex::Array4 const& a1, + amrex::Array4 const& a2, + amrex::Array4 const& pdivu, + amrex::Array4 const& vol, + const amrex::Real* del, + const amrex::Real dt) +{ +#if AMREX_SPACEDIM == 2 + amrex::Real const dx = del[0]; + amrex::Real const dy = del[1]; + amrex::Real const hdtdy = 0.5 * dt / dy; + amrex::Real const hdt = 0.5 * dt; + + const int bclx = bclo[0]; + const int bcly = bclo[1]; + const int bchx = bchi[0]; + const int bchy = bchi[1]; + const int dlx = domlo[0]; + const int dly = domlo[1]; + const int dhx = domhi[0]; + const int dhy = domhi[1]; + + // auto const& bcMaskarr = bcMask.array(); + const amrex::Box& bxg1 = grow(bx, 1); + const amrex::Box& bxg2 = grow(bx, 2); + + // X data + int cdir = 0; + const amrex::Box& xslpbx = grow(bxg1, cdir, 1); + const amrex::Box& xmbx = growHi(xslpbx, cdir, 1); + amrex::FArrayBox qxm(xmbx, QVAR); + amrex::FArrayBox qxp(xslpbx, QVAR); + amrex::Elixir qxmeli = qxm.elixir(); + amrex::Elixir qxpeli = qxp.elixir(); + auto const& qxmarr = qxm.array(); + auto const& qxparr = qxp.array(); + + // Y data + cdir = 1; + const amrex::Box& yflxbx = surroundingNodes(bxg1, cdir); + const amrex::Box& yslpbx = grow(bxg1, cdir, 1); + const amrex::Box& ymbx = growHi(yslpbx, cdir, 1); + amrex::FArrayBox qym(ymbx, QVAR); + amrex::FArrayBox qyp(yslpbx, QVAR); + amrex::Elixir qymeli = qym.elixir(); + amrex::Elixir qypeli = qyp.elixir(); + auto const& qymarr = qym.array(); + auto const& qyparr = qyp.array(); + + amrex::ParallelFor( + xslpbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real slope[QVAR]; + // X slopes and interp + for (int n = 0; n < QVAR; ++n) + slope[n] = plm_slope(i, j, k, n, 0, q); + pc_plm_x(i, j, k, qxmarr, qxparr, slope, q, qaux(i, j, k, QC), dx, dt); + }); + + amrex::ParallelFor( + yslpbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real slope[QVAR]; + // Y slopes and interp + for (int n = 0; n < QVAR; n++) + slope[n] = plm_slope(i, j, k, n, 1, q); + pc_plm_y(i, j, k, qymarr, qyparr, slope, q, qaux(i, j, k, QC), dy, dt); + }); + + // These are the first flux estimates as per the corner-transport-upwind + // method X initial fluxes + cdir = 0; + const amrex::Box& xflxbx = surroundingNodes(bxg1, cdir); + amrex::FArrayBox fx(xflxbx, NVAR); + amrex::Elixir fxeli = fx.elixir(); + auto const& fxarr = fx.array(); + amrex::FArrayBox qgdx(bxg2, NGDNV); + amrex::Elixir qgdxeli = qgdx.elixir(); + auto const& gdtemp = qgdx.array(); + amrex::ParallelFor( + xflxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx( + i, j, k, bclx, bchx, dlx, dhx, qxmarr, qxparr, fxarr, gdtemp, qaux, + cdir); + }); + + // Y initial fluxes + cdir = 1; + amrex::FArrayBox fy(yflxbx, NVAR); + amrex::Elixir fyeli = fy.elixir(); + auto const& fyarr = fy.array(); + amrex::ParallelFor( + yflxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx( + i, j, k, bcly, bchy, dly, dhy, qymarr, qyparr, fyarr, q2, qaux, cdir); + }); + + // X interface corrections + cdir = 0; + const amrex::Box& tybx = grow(bx, cdir, 1); + amrex::FArrayBox qm(bxg2, QVAR); + amrex::Elixir qmeli = qm.elixir(); + amrex::FArrayBox qp(bxg1, QVAR); + amrex::Elixir qpeli = qp.elixir(); + auto const& qmarr = qm.array(); + auto const& qparr = qp.array(); + + amrex::ParallelFor(tybx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_transy( + i, j, k, qmarr, qparr, qxmarr, qxparr, fyarr, srcQ, qaux, q2, hdt, hdtdy); + }); + + fyeli.clear(); + qxmeli.clear(); + qxpeli.clear(); + const amrex::Box& xfxbx = surroundingNodes(bx, cdir); + + // Final Riemann problem X + amrex::ParallelFor(xfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx( + i, j, k, bclx, bchx, dlx, dhx, qmarr, qparr, flx1, q1, qaux, cdir); + }); + + // Y interface corrections + cdir = 1; + const amrex::Box& txbx = grow(bx, cdir, 1); + + amrex::ParallelFor(txbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_transx( + i, j, k, qmarr, qparr, qymarr, qyparr, fxarr, srcQ, qaux, gdtemp, a1, vol, + hdt); + }); + fxeli.clear(); + qymeli.clear(); + qypeli.clear(); + + // Final Riemann problem Y + const amrex::Box& yfxbx = surroundingNodes(bx, cdir); + amrex::ParallelFor(yfxbx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpflx( + i, j, k, bcly, bchy, dly, dhy, qmarr, qparr, flx2, q2, qaux, cdir); + }); + + // Construct p div{U} + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_pdivu(i, j, k, pdivu, q1, q2, a1, a2, vol); + }); +#endif // AMREX_SPACEDIM == 2 +} diff --git a/SourceCpp/Params/CMakeLists.txt b/SourceCpp/Params/CMakeLists.txt new file mode 100644 index 000000000..79e19af66 --- /dev/null +++ b/SourceCpp/Params/CMakeLists.txt @@ -0,0 +1 @@ +add_subdirectory(param_includes) diff --git a/SourceCpp/Params/_cpp_parameters b/SourceCpp/Params/_cpp_parameters new file mode 100644 index 000000000..3cc8ee433 --- /dev/null +++ b/SourceCpp/Params/_cpp_parameters @@ -0,0 +1,416 @@ +# name type default +# +# note, name can have two values, as (a, b). a will be the name used +# in the inputs file, b is the variable name in the C++ class. + + +@namespace: pelec PeleC static + +levmsk_interior int 0 +levmsk_covered int 1 +levmsk_notcovered int 2 +levmsk_physbnd int 3 + +#----------------------------------------------------------------------------- +# category: AMR +#----------------------------------------------------------------------------- + +# highest order used in interpolation +state_interp_order int 1 + +# how to do limiting of the state data when interpolating +# 0: only prevent new extrema +# 1: preserve linear combinations of state variables +lin_limit_state_interp int 0 + +# Number of ghost zones for state data to have. Note that +# if you are using radiation, choosing this to be zero will +# be overridden since radiation needs at least one ghost zone. +state_nghost int 0 + +# do we do the hyperbolic reflux at coarse-fine interfaces? +do_reflux int 1 + +# do we average down the fine data onto the coarse? +do_avg_down int 1 + +# should we have state data for custom load-balancing weighting? +use_reactions_work_estimate int 0 + +# dump level for lb stats +load_balance_verbosity int 0 + +#----------------------------------------------------------------------------- +# category: Processor Type +#----------------------------------------------------------------------------- + +#----------------------------------------------------------------------------- +# category: hydrodynamics +#----------------------------------------------------------------------------- + +# the coefficient of the artificial viscosity +difmag Real 0.1 + +# the small density cutoff. Densities below this value will be reset +small_dens Real 1.e-200 + +# the small mass fraction cutoff. Densities below this value will be reset +small_massfrac Real 1.e-200 + +# the small temperature cutoff. Temperatures below this value will +# be reset +small_temp Real 1.e-200 + +# the small pressure cutoff. Pressures below this value will be reset +small_pres Real 1.e-200 + +# the small specific internal energy cutoff. Internal energies below this +# value will be reset +small_ener Real -1.e200 + +# permits hydro to be turned on and off for running pure rad problems +do_hydro int -1 + +# uses MOL aapproach to timestep advection and diffusion +do_mol int 0 + +# permits Ghost-Cells Navier-Stokes Boundary Conditions to be turned on and off +# for advective terms (adv) and for diffusion terms (diff) +nscbc_adv int 1 +nscbc_diff int 0 + +# if true, define an additional source term +add_ext_src int 0 + +# if true, define an additional forcing term +add_forcing_src int 0 + +# whether to use the hybrid advection scheme that updates +# z-angular momentum, cylindrical momentum, and azimuthal +# momentum (3D only) +hybrid_hydro int 0 + +# reconstruction type: +# 0: piecewise linear; +# 1: classic Colella \& Woodward ppm; +# 2: extrema-preserving ppm +# 3: Hybrid WENO-PPM +ppm_type int 1 + +# For Hybrid WENO-PPM (ppm_type=3), which kind of WENO reconstruction method at faces? +# 0 : Classical 5th-order JS method (quite dissipative) +# 1 : WENO-Z 5th-order (more robust than JS) +# 2 : WENO-Z 3rd-order (dissipative) +# 3 : WENO-Z 7th-order (good spectral properties but may be unstable with strong shocks) +weno_variant int 1 + +# to we reconstruct and trace under the parabolas of the source +# terms to the velocity +ppm_trace_sources int 1 + +# various methods of giving temperature a larger role in the +# reconstruction---see Zingale \& Katz 2015 +ppm_temp_fix int 0 + +# do we construct $\gamma_e = p/(\rho e) + 1$ and bring it +# to the interfaces for additional thermodynamic information +# (this is the Colella \& Glaz technique) or do we use $(\rho e)$. +# Note this also uses $\tau = 1/\rho$ instead of $\rho$. +ppm_predict_gammae int 0 + +# do we use the reference state in evaluating the eigenvectors? +ppm_reference_eigenvectors int 0 + +# for piecewise linear, reconstruction order to use +plm_iorder int 2 + +# do we drop from our regular Riemann solver to HLL when we +# are in shocks to avoid the odd-even decoupling instability? +hybrid_riemann int 0 + +# this is deprecated---use {\tt riemann\_solver} instead +use_colglaz int -1 + +# which Riemann solver do we use: +# 0: Colella, Glaz, \& Ferguson (a two-shock solver); +# 1: Colella \& Glaz (a two-shock solver) +# 2: HLLC +riemann_solver int 0 + +# for the Colella \& Glaz Riemann solver, the maximum number +# of iterations to take when solving for the star state +cg_maxiter int 12 + +# for the Colella \& Glaz Riemann solver, the tolerance to +# demand in finding the star state +cg_tol Real 1.0e-5 + +# for the Colella \& Glaz Riemann solver, what to do if +# we do not converge to a solution for the star state. +# 0 = do nothing; print iterations and exit +# 1 = revert to the original guess for p-star +# 2 = do a bisection search for another 2 * cg\_maxiter iterations. +cg_blend int 2 + +# flatten the reconstructed profiles around shocks to prevent them +# from becoming too thin +use_flattening int 1 + +# after we add the transverse correction to the interface states, replace +# the predicted pressure with an EOS call (using $e$ and $\rho$). +transverse_use_eos int 0 + +# if the transverse interface state correction, if the new density is +# negative, then replace all of the interface quantities with their +# values without the transverse correction. +transverse_reset_density int 1 + +# if the interface state for $(\rho e)$ is negative after we add the +# transverse terms, then replace the interface value of $(\rho e)$ +# with a value constructed from the $(\rho e)$ evolution equation +transverse_reset_rhoe int 0 + +# Allow internal energy resets and temperature flooring to change the +# total energy variable UEDEN in addition to the internal energy variable +# UEINT. +dual_energy_update_E_from_e int 1 + +# Threshold value of (E - K) / E such that above eta1, the hydrodynamic +# pressure is derived from E - K; otherwise, we use the internal energy +# variable UEINT. +dual_energy_eta1 Real 1.0e0 + +# Threshold value of (E - K) / E such that above eta2, we update the +# internal energy variable UEINT to match E - K. Below this, UEINT +# remains unchanged. +dual_energy_eta2 Real 1.0e-4 + +# Threshold value of (E - K) / E such that above eta3, the temperature used +# in the burning module is derived from E-K; otherwise, we use UEINT. +dual_energy_eta3 Real 1.0e0 + +# for the piecewise linear reconstruction, do we subtract off $(\rho g)$ +# from the pressure before limiting? +use_pslope int 1 + +fix_mass_flux int 0 + +# Should we limit the density fluxes so that we do not create small densities? +limit_fluxes_on_small_dens int 0 + +# Which method to use when resetting a negative/small density +# 1 = Reset to characteristics of adjacent zone with largest density +# 2 = Use average of all adjacent zones for all state variables +# 3 = Reset to the original zone state before the hydro update +density_reset_method int 1 + +# Whether or not to allow internal energy to be less than zero +allow_negative_energy int 1 + +# Whether or not to allow the internal energy to be less than the +# internal energy corresponding to small\_temp +allow_small_energy int 1 + +# should we update the state in between evaluations of the new-time source terms +update_state_between_sources int 0 + +# extrapolate the source terms to $n+1/2$ +# timelevel for use in the interface state prediction +source_term_predictor int 0 + +# set the flattening parameter to zero to force the reconstructed profiles +# to be flat, resulting in a first-order method +first_order_hydro int 0 + +# if we are doing an external -x boundary condition, who do we interpret it? +xl_ext_bc_type string "" + +# if we are doing an external +x boundary condition, who do we interpret it? +xr_ext_bc_type string "" + +# if we are doing an external -y boundary condition, who do we interpret it? +yl_ext_bc_type string "" + +# if we are doing an external +y boundary condition, who do we interpret it? +yr_ext_bc_type string "" + +# if we are doing an external -z boundary condition, who do we interpret it? +zl_ext_bc_type string "" + +# if we are doing an external +z boundary condition, who do we interpret it? +zr_ext_bc_type string "" + +#----------------------------------------------------------------------------- +# category: large eddy simulation +#----------------------------------------------------------------------------- + +# permits LES to be turned on and off +do_les int 0 + +# permits explicit LES to be turned on and off +use_explicit_filter int 0 + +# Constant Smagorinsky Cs coefficient +Cs Real 0.0 + +# Constant Smagorinsky CI coefficient +CI Real 0.0 + +# Constant Smagorinsky PrT coefficient +PrT Real 1.0 + +#----------------------------------------------------------------------------- +# category: EB diffusion +#----------------------------------------------------------------------------- +eb_boundary_T Real 1.0 +eb_isothermal int 1 +eb_noslip int 1 +# Small vfrac - values below this will be pseudo-merged +eb_small_vfrac Real 1.0e-2 +#----------------------------------------------------------------------------- +# category: method of manufactured solution +#----------------------------------------------------------------------------- + +# permits MMS (using MASA library) to be turned on and off +do_mms int 0 + +# name of the MMS MASA solution to load +masa_solution_name string "ad_cns_3d_les" + +#----------------------------------------------------------------------------- +# category: timestep control +#----------------------------------------------------------------------------- + +# a fixed timestep to use for all steps (negative turns it off) +fixed_dt Real -1.0 + +# the initial timestep (negative uses the step returned from the timestep +# constraints) +initial_dt Real -1.0 + +# the smallest valid timestep---if we go below this, we abort +dt_cutoff Real 0.0 + +# the largest valid timestep---limit all timesteps to be no larger than this +max_dt Real 1.e200 + +# the effective Courant number to use---we will not allow the hydrodynamic +# waves to cross more than this fraction of a zone over a single timestep +cfl Real 0.8 + +# a factor by which to reduce the first timestep from that requested by +# the timestep estimators +init_shrink Real 1.0 + +# the maximum factor by which the timestep can increase from one step to +# the next. +change_max Real 1.1 + +# If we're doing retries, set the target threshold for changes in density +# if a retry is triggered by a negative density. If this is set to a negative +# number then it will disable retries using this criterion. +retry_neg_dens_factor Real 1.e-1 + +# Number of iterations for the SDC advance. +sdc_iters int 1 + +# Number of iterations for the MOL advance. +mol_iters int 1 + +#----------------------------------------------------------------------------- +# category: reactions +#----------------------------------------------------------------------------- + +# Limit the timestep based on how much the burning can change the internal +# energy of a zone. The timestep is equal to +# {\tt dtnuc} $\cdot\,(e / \dot{e})$. +dtnuc_e Real 1.e200 + +# Limit the timestep based on how much the burning can change the species +# mass fractions of a zone. The timestep is equal to +# {\tt dtnuc} $\cdot\,(X / \dot{X})$. +dtnuc_X Real 1.e200 + +# If we are doing burning timestep limiting, choose the method for +# estimating $\dot{e}$ and $\dot{X}$. +# 1 == call the burner's RHS for an instantaneous calculation +# 2 == use the second-half burning from the last timestep +# 3 == use both the first- and the second-half burning from the last timestep +# 4 == use the change in the full state over the last timestep +dtnuc_mode int 1 + +# limit the zone size based on how much the burning can change the internal +# energy of a zone. The zone size on the finest level must be smaller than +# {\tt dxnuc} $\cdot\, c_s\cdot (e / \dot{e})$, where $c_s$ is the sound speed. +# This ensures that the sound-crossing time is smaller than the +# nuclear energy injection timescale. +dxnuc Real 1.e200 + +# permits reactions to be turned on and off +do_react int 0 + +# minimum temperature for allowing reactions to occur in a zone +react_T_min Real 0.0 + +# maximum temperature for allowing reactions to occur in a zone +react_T_max Real 1.e200 + +# minimum density for allowing reactions to occur in a zone +react_rho_min Real 0.0 + +# maximum density for allowing reactions to occur in a zone +react_rho_max Real 1.e200 + +# disable burning inside hydrodynamic shock regions +disable_shock_burning int 0 + +# chemistry integrator: 1 for built-in explicit RK, 2 for Sundials +chem_integrator int 1 n + +#explict RK chemistry integrator options (minimum substeps) +adaptrk_nsubsteps_min int 20 n + +#explict RK chemistry integrator options (maximum substeps) +adaptrk_nsubsteps_max int 300 n + +#explict RK chemistry integrator options (guess substeps) +adaptrk_nsubsteps_guess int 50 n + +#explict RK chemistry integrator options (absolute error tol.) +adaptrk_errtol Real 1e-16 n + +#----------------------------------------------------------------------------- +# category: parallelization +#----------------------------------------------------------------------------- + +bndry_func_thread_safe int 1 + +#----------------------------------------------------------------------------- +# category: diagnostics +#----------------------------------------------------------------------------- + +# display breakdown of energy sources +print_energy_diagnostics int (0, 1) + +# calculate losses of material through physical grid boundaries +track_grid_losses int 0 + +# how often (number of coarse timesteps) to compute integral sums (for runtime diagnostics) +sum_interval int -1 + +# how often (simulation time) to compute integral sums (for runtime diagnostics) +sum_per Real -1.0e0 + +# abort if we exceed CFL = 1 over the cource of a timestep +hard_cfl_limit int 1 + +# a string describing the simulation that will be copied into the +# plotfile's {\tt job\_info} file +job_name string "" + +#----------------------------------------------------------------------------- +# category: misc combusiton +#----------------------------------------------------------------------------- + +flame_trac_name string "" +fuel_name string "" diff --git a/SourceCpp/Params/mk_params.sh b/SourceCpp/Params/mk_params.sh new file mode 100755 index 000000000..1cff40da2 --- /dev/null +++ b/SourceCpp/Params/mk_params.sh @@ -0,0 +1,3 @@ +#!/bin/sh + +./parse_pelec_params.py ./_cpp_parameters diff --git a/SourceCpp/Params/param_includes/CMakeLists.txt b/SourceCpp/Params/param_includes/CMakeLists.txt new file mode 100644 index 000000000..f6c8cd90b --- /dev/null +++ b/SourceCpp/Params/param_includes/CMakeLists.txt @@ -0,0 +1,8 @@ +target_sources(${pelec_exe_name} + PRIVATE + pelec_defaults.H + pelec_params.H + pelec_queries.H + ) + +target_include_directories(${pelec_exe_name} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) diff --git a/SourceCpp/Params/param_includes/Make.package b/SourceCpp/Params/param_includes/Make.package new file mode 100644 index 000000000..9ada35ea9 --- /dev/null +++ b/SourceCpp/Params/param_includes/Make.package @@ -0,0 +1,4 @@ +CEXE_headers += pelec_params.H +CEXE_headers += pelec_queries.H +CEXE_headers += pelec_defaults.H + diff --git a/SourceCpp/Params/param_includes/pelec_defaults.H b/SourceCpp/Params/param_includes/pelec_defaults.H new file mode 100644 index 000000000..0467c25b7 --- /dev/null +++ b/SourceCpp/Params/param_includes/pelec_defaults.H @@ -0,0 +1,114 @@ + +// This file is automatically created by parse_pelec_params.py. To update +// or add runtime parameters, please edit _cpp_parameters and then run +// mk_params.sh + +int PeleC::levmsk_interior = 0; +int PeleC::levmsk_covered = 1; +int PeleC::levmsk_notcovered = 2; +int PeleC::levmsk_physbnd = 3; +int PeleC::state_interp_order = 1; +int PeleC::lin_limit_state_interp = 0; +int PeleC::state_nghost = 0; +int PeleC::do_reflux = 1; +int PeleC::do_avg_down = 1; +int PeleC::use_reactions_work_estimate = 0; +int PeleC::load_balance_verbosity = 0; +amrex::Real PeleC::difmag = 0.1; +amrex::Real PeleC::small_dens = 1.e-200; +amrex::Real PeleC::small_massfrac = 1.e-200; +amrex::Real PeleC::small_temp = 1.e-200; +amrex::Real PeleC::small_pres = 1.e-200; +amrex::Real PeleC::small_ener = -1.e200; +int PeleC::do_hydro = -1; +int PeleC::do_mol = 0; +int PeleC::nscbc_adv = 1; +int PeleC::nscbc_diff = 0; +int PeleC::add_ext_src = 0; +int PeleC::add_forcing_src = 0; +int PeleC::hybrid_hydro = 0; +int PeleC::ppm_type = 1; +int PeleC::weno_variant = 1; +int PeleC::ppm_trace_sources = 1; +int PeleC::ppm_temp_fix = 0; +int PeleC::ppm_predict_gammae = 0; +int PeleC::ppm_reference_eigenvectors = 0; +int PeleC::plm_iorder = 2; +int PeleC::hybrid_riemann = 0; +int PeleC::use_colglaz = -1; +int PeleC::riemann_solver = 0; +int PeleC::cg_maxiter = 12; +amrex::Real PeleC::cg_tol = 1.0e-5; +int PeleC::cg_blend = 2; +int PeleC::use_flattening = 1; +int PeleC::transverse_use_eos = 0; +int PeleC::transverse_reset_density = 1; +int PeleC::transverse_reset_rhoe = 0; +int PeleC::dual_energy_update_E_from_e = 1; +amrex::Real PeleC::dual_energy_eta1 = 1.0e0; +amrex::Real PeleC::dual_energy_eta2 = 1.0e-4; +amrex::Real PeleC::dual_energy_eta3 = 1.0e0; +int PeleC::use_pslope = 1; +int PeleC::fix_mass_flux = 0; +int PeleC::limit_fluxes_on_small_dens = 0; +int PeleC::density_reset_method = 1; +int PeleC::allow_negative_energy = 1; +int PeleC::allow_small_energy = 1; +int PeleC::update_state_between_sources = 0; +int PeleC::source_term_predictor = 0; +int PeleC::first_order_hydro = 0; +std::string PeleC::xl_ext_bc_type = ""; +std::string PeleC::xr_ext_bc_type = ""; +std::string PeleC::yl_ext_bc_type = ""; +std::string PeleC::yr_ext_bc_type = ""; +std::string PeleC::zl_ext_bc_type = ""; +std::string PeleC::zr_ext_bc_type = ""; +int PeleC::do_les = 0; +int PeleC::use_explicit_filter = 0; +amrex::Real PeleC::Cs = 0.0; +amrex::Real PeleC::CI = 0.0; +amrex::Real PeleC::PrT = 1.0; +amrex::Real PeleC::eb_boundary_T = 1.0; +int PeleC::eb_isothermal = 1; +int PeleC::eb_noslip = 1; +amrex::Real PeleC::eb_small_vfrac = 1.0e-2; +int PeleC::do_mms = 0; +std::string PeleC::masa_solution_name = "ad_cns_3d_les"; +amrex::Real PeleC::fixed_dt = -1.0; +amrex::Real PeleC::initial_dt = -1.0; +amrex::Real PeleC::dt_cutoff = 0.0; +amrex::Real PeleC::max_dt = 1.e200; +amrex::Real PeleC::cfl = 0.8; +amrex::Real PeleC::init_shrink = 1.0; +amrex::Real PeleC::change_max = 1.1; +amrex::Real PeleC::retry_neg_dens_factor = 1.e-1; +int PeleC::sdc_iters = 1; +int PeleC::mol_iters = 1; +amrex::Real PeleC::dtnuc_e = 1.e200; +amrex::Real PeleC::dtnuc_X = 1.e200; +int PeleC::dtnuc_mode = 1; +amrex::Real PeleC::dxnuc = 1.e200; +int PeleC::do_react = 0; +amrex::Real PeleC::react_T_min = 0.0; +amrex::Real PeleC::react_T_max = 1.e200; +amrex::Real PeleC::react_rho_min = 0.0; +amrex::Real PeleC::react_rho_max = 1.e200; +int PeleC::disable_shock_burning = 0; +int PeleC::chem_integrator = 1; +int PeleC::adaptrk_nsubsteps_min = 20; +int PeleC::adaptrk_nsubsteps_max = 300; +int PeleC::adaptrk_nsubsteps_guess = 50; +amrex::Real PeleC::adaptrk_errtol = 1e-16; +int PeleC::bndry_func_thread_safe = 1; +#ifdef AMREX_DEBUG +int PeleC::print_energy_diagnostics = 1; +#else +int PeleC::print_energy_diagnostics = 0; +#endif +int PeleC::track_grid_losses = 0; +int PeleC::sum_interval = -1; +amrex::Real PeleC::sum_per = -1.0e0; +int PeleC::hard_cfl_limit = 1; +std::string PeleC::job_name = ""; +std::string PeleC::flame_trac_name = ""; +std::string PeleC::fuel_name = ""; diff --git a/SourceCpp/Params/param_includes/pelec_params.H b/SourceCpp/Params/param_includes/pelec_params.H new file mode 100644 index 000000000..25fbfa34b --- /dev/null +++ b/SourceCpp/Params/param_includes/pelec_params.H @@ -0,0 +1,110 @@ + +// This file is automatically created by parse_pelec_params.py. To update +// or add runtime parameters, please edit _cpp_parameters and then run +// mk_params.sh + +static int levmsk_interior; +static int levmsk_covered; +static int levmsk_notcovered; +static int levmsk_physbnd; +static int state_interp_order; +static int lin_limit_state_interp; +static int state_nghost; +static int do_reflux; +static int do_avg_down; +static int use_reactions_work_estimate; +static int load_balance_verbosity; +static amrex::Real difmag; +static amrex::Real small_dens; +static amrex::Real small_massfrac; +static amrex::Real small_temp; +static amrex::Real small_pres; +static amrex::Real small_ener; +static int do_hydro; +static int do_mol; +static int nscbc_adv; +static int nscbc_diff; +static int add_ext_src; +static int add_forcing_src; +static int hybrid_hydro; +static int ppm_type; +static int weno_variant; +static int ppm_trace_sources; +static int ppm_temp_fix; +static int ppm_predict_gammae; +static int ppm_reference_eigenvectors; +static int plm_iorder; +static int hybrid_riemann; +static int use_colglaz; +static int riemann_solver; +static int cg_maxiter; +static amrex::Real cg_tol; +static int cg_blend; +static int use_flattening; +static int transverse_use_eos; +static int transverse_reset_density; +static int transverse_reset_rhoe; +static int dual_energy_update_E_from_e; +static amrex::Real dual_energy_eta1; +static amrex::Real dual_energy_eta2; +static amrex::Real dual_energy_eta3; +static int use_pslope; +static int fix_mass_flux; +static int limit_fluxes_on_small_dens; +static int density_reset_method; +static int allow_negative_energy; +static int allow_small_energy; +static int update_state_between_sources; +static int source_term_predictor; +static int first_order_hydro; +static std::string xl_ext_bc_type; +static std::string xr_ext_bc_type; +static std::string yl_ext_bc_type; +static std::string yr_ext_bc_type; +static std::string zl_ext_bc_type; +static std::string zr_ext_bc_type; +static int do_les; +static int use_explicit_filter; +static amrex::Real Cs; +static amrex::Real CI; +static amrex::Real PrT; +static amrex::Real eb_boundary_T; +static int eb_isothermal; +static int eb_noslip; +static amrex::Real eb_small_vfrac; +static int do_mms; +static std::string masa_solution_name; +static amrex::Real fixed_dt; +static amrex::Real initial_dt; +static amrex::Real dt_cutoff; +static amrex::Real max_dt; +static amrex::Real cfl; +static amrex::Real init_shrink; +static amrex::Real change_max; +static amrex::Real retry_neg_dens_factor; +static int sdc_iters; +static int mol_iters; +static amrex::Real dtnuc_e; +static amrex::Real dtnuc_X; +static int dtnuc_mode; +static amrex::Real dxnuc; +static int do_react; +static amrex::Real react_T_min; +static amrex::Real react_T_max; +static amrex::Real react_rho_min; +static amrex::Real react_rho_max; +static int disable_shock_burning; +static int chem_integrator; +static int adaptrk_nsubsteps_min; +static int adaptrk_nsubsteps_max; +static int adaptrk_nsubsteps_guess; +static amrex::Real adaptrk_errtol; +static int bndry_func_thread_safe; +static int print_energy_diagnostics; +static int track_grid_losses; +static int sum_interval; +static amrex::Real sum_per; +static int hard_cfl_limit; +static std::string job_name; +static std::string flame_trac_name; +static std::string fuel_name; diff --git a/SourceCpp/Params/param_includes/pelec_queries.H b/SourceCpp/Params/param_includes/pelec_queries.H new file mode 100644 index 000000000..1d0a95140 --- /dev/null +++ b/SourceCpp/Params/param_includes/pelec_queries.H @@ -0,0 +1,110 @@ + +// This file is automatically created by parse_pelec_params.py. To update +// or add runtime parameters, please edit _cpp_parameters and then run +// mk_params.sh + +pp.query("levmsk_interior", levmsk_interior); +pp.query("levmsk_covered", levmsk_covered); +pp.query("levmsk_notcovered", levmsk_notcovered); +pp.query("levmsk_physbnd", levmsk_physbnd); +pp.query("state_interp_order", state_interp_order); +pp.query("lin_limit_state_interp", lin_limit_state_interp); +pp.query("state_nghost", state_nghost); +pp.query("do_reflux", do_reflux); +pp.query("do_avg_down", do_avg_down); +pp.query("use_reactions_work_estimate", use_reactions_work_estimate); +pp.query("load_balance_verbosity", load_balance_verbosity); +pp.query("difmag", difmag); +pp.query("small_dens", small_dens); +pp.query("small_massfrac", small_massfrac); +pp.query("small_temp", small_temp); +pp.query("small_pres", small_pres); +pp.query("small_ener", small_ener); +pp.query("do_hydro", do_hydro); +pp.query("do_mol", do_mol); +pp.query("nscbc_adv", nscbc_adv); +pp.query("nscbc_diff", nscbc_diff); +pp.query("add_ext_src", add_ext_src); +pp.query("add_forcing_src", add_forcing_src); +pp.query("hybrid_hydro", hybrid_hydro); +pp.query("ppm_type", ppm_type); +pp.query("weno_variant", weno_variant); +pp.query("ppm_trace_sources", ppm_trace_sources); +pp.query("ppm_temp_fix", ppm_temp_fix); +pp.query("ppm_predict_gammae", ppm_predict_gammae); +pp.query("ppm_reference_eigenvectors", ppm_reference_eigenvectors); +pp.query("plm_iorder", plm_iorder); +pp.query("hybrid_riemann", hybrid_riemann); +pp.query("use_colglaz", use_colglaz); +pp.query("riemann_solver", riemann_solver); +pp.query("cg_maxiter", cg_maxiter); +pp.query("cg_tol", cg_tol); +pp.query("cg_blend", cg_blend); +pp.query("use_flattening", use_flattening); +pp.query("transverse_use_eos", transverse_use_eos); +pp.query("transverse_reset_density", transverse_reset_density); +pp.query("transverse_reset_rhoe", transverse_reset_rhoe); +pp.query("dual_energy_update_E_from_e", dual_energy_update_E_from_e); +pp.query("dual_energy_eta1", dual_energy_eta1); +pp.query("dual_energy_eta2", dual_energy_eta2); +pp.query("dual_energy_eta3", dual_energy_eta3); +pp.query("use_pslope", use_pslope); +pp.query("fix_mass_flux", fix_mass_flux); +pp.query("limit_fluxes_on_small_dens", limit_fluxes_on_small_dens); +pp.query("density_reset_method", density_reset_method); +pp.query("allow_negative_energy", allow_negative_energy); +pp.query("allow_small_energy", allow_small_energy); +pp.query("update_state_between_sources", update_state_between_sources); +pp.query("source_term_predictor", source_term_predictor); +pp.query("first_order_hydro", first_order_hydro); +pp.query("xl_ext_bc_type", xl_ext_bc_type); +pp.query("xr_ext_bc_type", xr_ext_bc_type); +pp.query("yl_ext_bc_type", yl_ext_bc_type); +pp.query("yr_ext_bc_type", yr_ext_bc_type); +pp.query("zl_ext_bc_type", zl_ext_bc_type); +pp.query("zr_ext_bc_type", zr_ext_bc_type); +pp.query("do_les", do_les); +pp.query("use_explicit_filter", use_explicit_filter); +pp.query("Cs", Cs); +pp.query("CI", CI); +pp.query("PrT", PrT); +pp.query("eb_boundary_T", eb_boundary_T); +pp.query("eb_isothermal", eb_isothermal); +pp.query("eb_noslip", eb_noslip); +pp.query("eb_small_vfrac", eb_small_vfrac); +pp.query("do_mms", do_mms); +pp.query("masa_solution_name", masa_solution_name); +pp.query("fixed_dt", fixed_dt); +pp.query("initial_dt", initial_dt); +pp.query("dt_cutoff", dt_cutoff); +pp.query("max_dt", max_dt); +pp.query("cfl", cfl); +pp.query("init_shrink", init_shrink); +pp.query("change_max", change_max); +pp.query("retry_neg_dens_factor", retry_neg_dens_factor); +pp.query("sdc_iters", sdc_iters); +pp.query("mol_iters", mol_iters); +pp.query("dtnuc_e", dtnuc_e); +pp.query("dtnuc_X", dtnuc_X); +pp.query("dtnuc_mode", dtnuc_mode); +pp.query("dxnuc", dxnuc); +pp.query("do_react", do_react); +pp.query("react_T_min", react_T_min); +pp.query("react_T_max", react_T_max); +pp.query("react_rho_min", react_rho_min); +pp.query("react_rho_max", react_rho_max); +pp.query("disable_shock_burning", disable_shock_burning); +pp.query("chem_integrator", chem_integrator); +pp.query("adaptrk_nsubsteps_min", adaptrk_nsubsteps_min); +pp.query("adaptrk_nsubsteps_max", adaptrk_nsubsteps_max); +pp.query("adaptrk_nsubsteps_guess", adaptrk_nsubsteps_guess); +pp.query("adaptrk_errtol", adaptrk_errtol); +pp.query("bndry_func_thread_safe", bndry_func_thread_safe); +pp.query("print_energy_diagnostics", print_energy_diagnostics); +pp.query("track_grid_losses", track_grid_losses); +pp.query("sum_interval", sum_interval); +pp.query("sum_per", sum_per); +pp.query("hard_cfl_limit", hard_cfl_limit); +pp.query("job_name", job_name); +pp.query("flame_trac_name", flame_trac_name); +pp.query("fuel_name", fuel_name); diff --git a/SourceCpp/Params/parse_pelec_params.py b/SourceCpp/Params/parse_pelec_params.py new file mode 100755 index 000000000..cb6ccaedb --- /dev/null +++ b/SourceCpp/Params/parse_pelec_params.py @@ -0,0 +1,328 @@ +#!/usr/bin/env python + + +# This script parses the list of C++ runtime parameters and writes the +# necessary header files to make them available in PeleC's C++ routines +# +# parameters have the format: +# +# name type default +# +# the first three (name, type, default) are mandatory: +# +# name: the name of the parameter. This will be the same name as the +# variable in C++ unless a pair is specified as (name, cpp_name) +# +# type: the C++ data type (int, Real, string) +# +# default: the default value. If specified as a pair, (a, b), then +# the first value is the normal default and the second is for +# debug mode (#ifdef AMREX_DEBUG) +# +# Any line beginning with a "#" is ignored +# +# Commands begin with a "@": +# +# @namespace: sets the namespace that these will be under (see below) +# it also gives the C++ class name. +# if we include the keyword "static" after the name, then the parameters +# will be defined as static member variables in C++ +# +# e.g. @namespace pelec PeleC static +# +# Note: categories listed in the input file aren't used for code generation +# but are used for the documentation generation +# +# +# For a namespace, name, we write out: +# +# -- name_params.H (for pelec, included in PeleC.H): +# declares the static variables of the PeleC class +# +# -- name_defaults.H (for pelec, included in peleC.cpp): +# sets the defaults of the runtime parameters +# +# -- name_queries.H (for pelec, included in PeleC.cpp): +# does the parmparse query to override the default in C++ +# + +import argparse +import re +import sys + +CWARNING = """ +// This file is automatically created by parse_pelec_params.py. To update +// or add runtime parameters, please edit _cpp_parameters and then run +// mk_params.sh\n +""" + +param_include_dir = "param_includes/" + + +class Param(object): + """ the basic parameter class. For each parameter, we hold the name, + type, and default. For some parameters, we also take a second + value of the default, for use in debug mode (delimited via + #ifdef AMREX_DEBUG) + + """ + + def __init__( + self, + name, + dtype, + default, + cpp_var_name=None, + namespace=None, + cpp_class=None, + static=None, + debug_default=None, + ifdef=None, + ): + + self.name = name + self.dtype = dtype + self.default = default + self.cpp_var_name = cpp_var_name + + self.namespace = namespace + self.cpp_class = cpp_class + + if static is None: + self.static = 0 + else: + self.static = static + + self.debug_default = debug_default + + if ifdef == "None": + self.ifdef = None + else: + self.ifdef = ifdef + + def get_default_string(self): + # this is the line that goes into pelec_defaults.H included + # into PeleC.cpp + + if self.dtype == "int": + tstr = "int {}::{}".format(self.cpp_class, self.cpp_var_name) + elif self.dtype == "Real": + tstr = "amrex::Real {}::{}".format(self.cpp_class, self.cpp_var_name) + elif self.dtype == "string": + tstr = "std::string {}::{}".format(self.cpp_class, self.cpp_var_name) + else: + sys.exit("invalid data type for parameter {}".format(self.name)) + + ostr = "" + + if self.ifdef is not None: + ostr = "#ifdef {}\n".format(self.ifdef) + + if self.debug_default is not None: + ostr += "#ifdef AMREX_DEBUG\n" + ostr += "{} = {};\n".format(tstr, self.debug_default) + ostr += "#else\n" + ostr += "{} = {};\n".format(tstr, self.default) + ostr += "#endif\n" + else: + ostr += "{} = {};\n".format(tstr, self.default) + + if self.ifdef is not None: + ostr += "#endif\n" + + return ostr + + def get_query_string(self, language): + # this is the line that queries the ParmParse object to get + # the value of the runtime parameter from the inputs file. + # This goes into pelec_queries.H included into PeleC.cpp + + ostr = "" + if self.ifdef is not None: + ostr += "#ifdef {}\n".format(self.ifdef) + + if language == "C++": + ostr += 'pp.query("{}", {});\n'.format(self.name, self.cpp_var_name) + else: + sys.exit("invalid language choice in get_query_string") + + if self.ifdef is not None: + ostr += "#endif\n".format(self.ifdef) + + return ostr + + def get_decl_string(self): + # this is the line that goes into pelec_params.H included + # into PeleC.H + + static = "" + if self.static: + static = "static" + + if self.dtype == "int": + tstr = "{} int {};\n".format(static, self.cpp_var_name) + elif self.dtype == "Real": + tstr = "{} amrex::Real {};\n".format(static, self.cpp_var_name) + elif self.dtype == "string": + tstr = "{} std::string {};\n".format(static, self.cpp_var_name) + else: + sys.exit("invalid data type for parameter {}".format(self.name)) + + ostr = "" + + if self.ifdef is not None: + ostr = "#ifdef {}\n".format(self.ifdef) + + ostr += tstr + + if self.ifdef is not None: + ostr += "#endif\n" + + return ostr + + +def parse_params(infile): + + params = [] + + namespace = None + cpp_class = None + static = None + + try: + f = open(infile) + except IOError: + sys.exit("error opening the input file") + + for line in f: + if line[0] == "#": + continue + + if line.strip() == "": + continue + + if line[0] == "@": + # this is a command + cmd, value = line.split(":") + if cmd == "@namespace": + fields = value.split() + namespace = fields[0] + cpp_class = fields[1] + + try: + static = fields[2] + except IndexError: + static = "" + + # do we have the static keyword? + if "static" in static: + static = 1 + else: + static = 0 + + else: + sys.exit("invalid command") + + continue + + # this splits the line into separate fields. A field is a + # single word or a pair in parentheses like "(a, b)" + fields = re.findall(r"[\w\"\+\.-]+|\([\w+\.-]+\s*,\s*[\w\+\.-]+\)", line) + + name = fields[0] + if name[0] == "(": + name, cpp_var_name = re.findall(r"\w+", name) + else: + cpp_var_name = name + + dtype = fields[1] + + default = fields[2] + if default[0] == "(": + default, debug_default = re.findall(r"\w+", default) + else: + debug_default = None + + try: + ifdef = fields[4] + except IndexError: + ifdef = None + + if namespace is None: + sys.exit("namespace not set") + + params.append( + Param( + name, + dtype, + default, + cpp_var_name=cpp_var_name, + namespace=namespace, + cpp_class=cpp_class, + static=static, + debug_default=debug_default, + ifdef=ifdef, + ) + ) + + # output + + # find all the namespaces + namespaces = list(set([q.namespace for q in params])) + + for nm in namespaces: + + params_nm = [q for q in params if q.namespace == nm] + + # write name_defaults.H + try: + cd = open("{}/{}_defaults.H".format(param_include_dir, nm), "w") + except IOError: + sys.exit("unable to open {}_defaults.H for writing".format(nm)) + + cd.write(CWARNING) + + for p in params_nm: + cd.write(p.get_default_string()) + + cd.close() + + # write name_params.H + try: + cp = open("{}/{}_params.H".format(param_include_dir, nm), "w") + except IOError: + sys.exit("unable to open {}_params.H for writing".format(nm)) + + cp.write(CWARNING) + + for p in params_nm: + cp.write(p.get_decl_string()) + + cp.close() + + # write pelec_queries.H + try: + cq = open("{}/{}_queries.H".format(param_include_dir, nm), "w") + except IOError: + sys.exit("unable to open {}_queries.H for writing".format(nm)) + + cq.write(CWARNING) + + for p in params_nm: + cq.write(p.get_query_string("C++")) + + cq.close() + + +if __name__ == "__main__": + + parser = argparse.ArgumentParser() + parser.add_argument( + "input_file", + type=str, + nargs=1, + help="input file containing the list of parameters we will define", + ) + args = parser.parse_args() + + parse_params(args.input_file[0]) diff --git a/SourceCpp/Particle.cpp b/SourceCpp/Particle.cpp new file mode 100644 index 000000000..8cbc75050 --- /dev/null +++ b/SourceCpp/Particle.cpp @@ -0,0 +1,576 @@ +#include +#include +#include +#include + +#include "PeleC.H" + +using namespace amrex; + +#ifdef AMREX_PARTICLES + +namespace { +bool virtual_particles_set = false; +// +// Containers for the real "active" Particles +// +SprayParticleContainer* SprayPC = 0; +// +// Container for temporary, virtual Particles +// +SprayParticleContainer* VirtPC = 0; +// +// Container for temporary, ghost Particles +// +SprayParticleContainer* GhostPC = 0; + +Gpu::HostVector sprayCritT; +Gpu::HostVector sprayBoilT; +Gpu::HostVector sprayCp; +Gpu::HostVector sprayLatent; +Gpu::HostVector sprayIndxMap; + +void +RemoveParticlesOnExit() +{ + delete SprayPC; + SprayPC = 0; + delete GhostPC; + GhostPC = 0; + delete VirtPC; + VirtPC = 0; +} +} // namespace + +int PeleC::do_spray_particles = 0; +int PeleC::particle_verbose = 0; +Real PeleC::particle_cfl = 0.4; + +int PeleC::write_particle_plotfiles = 1; +int PeleC::write_spray_ascii_files = 1; +int PeleC::particle_mass_tran = 0; +int PeleC::particle_heat_tran = 0; +int PeleC::particle_mom_tran = 0; +Vector PeleC::sprayFuelNames; +Real PeleC::sprayRefT; + +namespace { +std::string particle_init_file; +int particle_init_uniform = 0; +std::string timestamp_dir; +std::vector timestamp_indices; +} // namespace + +SprayParticleContainer* +PeleC::theSprayPC() +{ + return SprayPC; +} + +SprayParticleContainer* +PeleC::theVirtPC() +{ + return VirtPC; +} + +SprayParticleContainer* +PeleC::theGhostPC() +{ + return GhostPC; +} + +void +PeleC::particleEstTimeStep(Real& est_dt) +{ + BL_PROFILE("PeleC::particleEstTimeStep()"); + Real est_dt_particle = theSprayPC()->estTimestep(level, particle_cfl); + + if (est_dt_particle > 0) + est_dt = amrex::min(est_dt, est_dt_particle); + + if (verbose && ParallelDescriptor::IOProcessor()) { + if (est_dt_particle > 0) { + amrex::Print() << "...estdt from particles at level " << level << ": " + << est_dt_particle << '\n'; + } else { + amrex::Print() << "...there are no particles at level " << level << '\n'; + } + } +} + +void +PeleC::readParticleParams() +{ + ParmParse pp("pelec"); + + pp.query("do_spray_particles", do_spray_particles); + + ParmParse ppp("particles"); + // + // Control the verbosity of the Particle class + ppp.query("v", particle_verbose); + + ppp.get("mass_transfer", particle_mass_tran); + ppp.get("heat_transfer", particle_heat_tran); + ppp.get("mom_transfer", particle_mom_tran); + ppp.query("particle_cfl", particle_cfl); + if (particle_cfl > 0.5) + Abort("particle_cfl must be <= 0.5"); + // Number of fuel species in spray droplets + // Must match the number specified at compile time + const int nfuel = ppp.countval("fuel_species"); + if (nfuel != SPRAY_FUEL_NUM) { + Abort("Number of fuel species in input file must match SPRAY_FUEL_NUM"); + } + + sprayFuelNames.assign(nfuel, ""); + sprayCritT.resize(nfuel); + sprayBoilT.resize(nfuel); + sprayLatent.resize(nfuel); + sprayCp.resize(nfuel); + sprayIndxMap.resize(nfuel); + std::vector fuel_names; + std::vector crit_T; + std::vector boil_T; + std::vector latent; + std::vector spraycp; + ppp.getarr("fuel_species", fuel_names); + ppp.getarr("fuel_crit_temp", crit_T); + ppp.getarr("fuel_boil_temp", boil_T); + ppp.getarr("fuel_latent", latent); + ppp.getarr("fuel_cp", spraycp); + for (int i = 0; i != nfuel; ++i) { + sprayFuelNames[i] = fuel_names[i]; + sprayCritT[i] = crit_T[i]; + sprayBoilT[i] = boil_T[i]; + sprayLatent[i] = latent[i]; + sprayCp[i] = spraycp[i]; + } + // Must use same reference temperature for all fuels + // TODO: This means the reference temperature must be the same for all fuel + // species + ppp.get("fuel_ref_temp", sprayRefT); + // + // Set if particle plot files should be written + // + ppp.query("write_particle_plotfiles", write_particle_plotfiles); + // + // Set if spray ascii files should be written + // + ppp.query("write_spray_ascii_files", write_spray_ascii_files); + // + // Used in initData() on startup to read in a file of particles. + // + ppp.query("particle_init_file", particle_init_file); + // + // Used in initData() on startup to set a uniform particle field + // + ppp.query("particle_init_uniform", particle_init_uniform); + // + // Used in post_restart() to read in a file of particles. + // + // This must be true the first time you try to restart from a checkpoint + // that was written with USE_PARTICLES=FALSE; i.e. one that doesn't have + // the particle checkpoint stuff (even if there are no active particles). + // Otherwise the code will fail when trying to read the checkpointed + // particles. + // + // ppp.query("restart_from_nonparticle_chkfile", + // restart_from_nonparticle_chkfile); + // + // The directory in which to store timestamp files. + // + ppp.query("timestamp_dir", timestamp_dir); + // + // Only the I/O processor makes the directory if it doesn't already exist. + // + if (ParallelDescriptor::IOProcessor()) + if (!amrex::UtilCreateDirectory(timestamp_dir, 0755)) + amrex::CreateDirectoryFailed(timestamp_dir); + // + // Force other processors to wait till directory is built. + // + ParallelDescriptor::Barrier(); +} + +void +PeleC::defineParticles() +{ + // There must be at least as many fuel species in the spray as + // there are species in the fluid + if (SPRAY_FUEL_NUM > NUM_SPECIES) { + Abort("Cannot have more spray fuel species than fluid species"); + } +#ifdef PELEC_EOS_FUEGO + for (int i = 0; i != SPRAY_FUEL_NUM; ++i) { + for (int ns = 0; ns != NUM_SPECIES; ++ns) { + std::string gas_spec = spec_names[ns]; + if (gas_spec == sprayFuelNames[i]) { + sprayIndxMap[i] = ns; + } + } + if (sprayIndxMap[i] < 0) { + Print() << "Fuel " << sprayFuelNames[i] << " not found in species list" + << std::endl; + Abort(); + } + } +#else + for (int ns = 0; ns != SPRAY_FUEL_NUM; ++ns) { + sprayIndxMap[ns] = 0; + } +#endif +} + +void +PeleC::setupVirtualParticles() +{ + BL_PROFILE("PeleC::setupVirtualParticles()"); + amrex::Gpu::LaunchSafeGuard lsg(true); + if (PeleC::theSprayPC() != 0 && !virtual_particles_set) { + SprayParticleContainer::AoS virts; + if (level < parent->finestLevel()) { + ((PeleC*)&parent->getLevel(level + 1))->setupVirtualParticles(); + PeleC::theVirtPC()->CreateVirtualParticles(level + 1, virts); + PeleC::theVirtPC()->AddParticlesAtLevel(virts, level); + + PeleC::theSprayPC()->CreateVirtualParticles(level + 1, virts); + PeleC::theVirtPC()->AddParticlesAtLevel(virts, level); + } + virtual_particles_set = true; + } +} + +void +PeleC::removeVirtualParticles() +{ + BL_PROFILE("PeleC::removeVirtualParticles()"); + amrex::Gpu::LaunchSafeGuard lsg(true); + if (VirtPC != 0) + VirtPC->RemoveParticlesAtLevel(level); + virtual_particles_set = false; +} + +void +PeleC::setupGhostParticles(int ngrow) +{ + BL_PROFILE("PeleC::setupGhostParticles()"); + AMREX_ASSERT(level < parent->finestLevel()); + amrex::Gpu::LaunchSafeGuard lsg(true); + if (PeleC::theSprayPC() != 0) { + SprayParticleContainer::AoS ghosts; + PeleC::theSprayPC()->CreateGhostParticles(level, ngrow, ghosts); + PeleC::theGhostPC()->AddParticlesAtLevel(ghosts, level + 1, ngrow); + } +} + +void +PeleC::removeGhostParticles() +{ + BL_PROFILE("PeleC::removeGhostParticles()"); + amrex::Gpu::LaunchSafeGuard lsg(true); + if (GhostPC != 0) + GhostPC->RemoveParticlesAtLevel(level); +} + +/** + * Initialize the particles on the grid at level 0 + **/ +void +PeleC::initParticles() +{ + BL_PROFILE("PeleC::initParticles()"); + + if (level > 0) + return; + + // + // Make sure to call RemoveParticlesOnExit() on exit. + // + amrex::ExecOnFinalize(RemoveParticlesOnExit); + + if (do_spray_particles) { + AMREX_ASSERT(theSprayPC() == 0); + // Whether we need to use ghost and virtual particles + bool gvParticles = false; + if (parent->subCycle()) { + gvParticles = true; + } + + SprayPC = new SprayParticleContainer(parent, &phys_bc); + theSprayPC()->SetVerbose(particle_verbose); + + if (gvParticles) { + VirtPC = new SprayParticleContainer(parent, &phys_bc); + GhostPC = new SprayParticleContainer(parent, &phys_bc); + } + // Pass constant reference data and memory allocations to GPU + theSprayPC()->buildFuelData( + sprayCritT, sprayBoilT, sprayCp, sprayLatent, sprayIndxMap, sprayRefT); + if (gvParticles) { + theGhostPC()->buildFuelData( + sprayCritT, sprayBoilT, sprayCp, sprayLatent, sprayIndxMap, sprayRefT); + theVirtPC()->buildFuelData( + sprayCritT, sprayBoilT, sprayCp, sprayLatent, sprayIndxMap, sprayRefT); + } + + if (!particle_init_file.empty()) { + theSprayPC()->InitFromAsciiFile(particle_init_file, NSR_SPR + NAR_SPR); + } else if (particle_init_uniform > 0) { + theSprayPC()->InitParticlesUniform(this, level, particle_init_uniform); + } + } +} + +void +PeleC::particlePostRestart(const std::string& restart_file, bool is_checkpoint) +{ + amrex::Gpu::setLaunchRegion(false); + if (level > 0) + return; + + if (do_spray_particles) { + AMREX_ASSERT(SprayPC == 0); + + SprayPC = new SprayParticleContainer(parent, &phys_bc); + theSprayPC()->SetVerbose(particle_verbose); + theSprayPC()->buildFuelData( + sprayCritT, sprayBoilT, sprayCp, sprayLatent, sprayIndxMap, sprayRefT); + + if (parent->subCycle()) { + VirtPC = new SprayParticleContainer(parent, &phys_bc); + GhostPC = new SprayParticleContainer(parent, &phys_bc); + theGhostPC()->buildFuelData( + sprayCritT, sprayBoilT, sprayCp, sprayLatent, sprayIndxMap, sprayRefT); + theVirtPC()->buildFuelData( + sprayCritT, sprayBoilT, sprayCp, sprayLatent, sprayIndxMap, sprayRefT); + } + + // + // Make sure to call RemoveParticlesOnExit() on exit. + // + amrex::ExecOnFinalize(RemoveParticlesOnExit); + { + amrex::Gpu::LaunchSafeGuard lsg(true); + theSprayPC()->Restart( + parent->theRestartFile(), "particles", is_checkpoint); + amrex::Gpu::Device::streamSynchronize(); + } + } +} + +// TODO: This has not been checked or updated, use with caution +std::unique_ptr +PeleC::particleDerive(const std::string& name, Real time, int ngrow) +{ + BL_PROFILE("PeleC::particleDerive()"); + + if (theSprayPC() && name == "particle_count") { + Abort("Should not be called until it is updated"); + std::unique_ptr derive_dat(new MultiFab(grids, dmap, 1, 0)); + MultiFab temp_dat(grids, dmap, 1, 0); + temp_dat.setVal(0); + theSprayPC()->Increment(temp_dat, level); + MultiFab::Copy(*derive_dat, temp_dat, 0, 0, 1, 0); + return derive_dat; + } else if (theSprayPC() && name == "total_particle_count") { + Abort("Should not be called until it is updated"); + // + // We want the total particle count at this level or higher. + // + std::unique_ptr derive_dat = + particleDerive("particle_count", time, ngrow); + + IntVect trr(AMREX_D_DECL(1, 1, 1)); + + for (int lev = level + 1; lev <= parent->finestLevel(); lev++) { + auto ba = parent->boxArray(lev); + const auto& dm = parent->DistributionMap(lev); + MultiFab temp_dat(ba, dm, 1, 0); + + trr *= parent->refRatio(lev - 1); + + ba.coarsen(trr); + MultiFab ctemp_dat(ba, dm, 1, 0); + + temp_dat.setVal(0); + ctemp_dat.setVal(0); + + theSprayPC()->Increment(temp_dat, lev); + + for (MFIter mfi(temp_dat); mfi.isValid(); ++mfi) { + const FArrayBox& ffab = temp_dat[mfi]; + FArrayBox& cfab = ctemp_dat[mfi]; + const Box& fbx = ffab.box(); + + AMREX_ASSERT(cfab.box() == amrex::coarsen(fbx, trr)); + + for (IntVect p = fbx.smallEnd(); p <= fbx.bigEnd(); fbx.next(p)) { + const Real val = ffab(p); + if (val > 0) + cfab(amrex::coarsen(p, trr)) += val; + } + } + + temp_dat.clear(); + + MultiFab dat(grids, dmap, 1, 0); + dat.setVal(0); + dat.copy(ctemp_dat); + + MultiFab::Add(*derive_dat, dat, 0, 0, 1, 0); + } + + return derive_dat; + } else { + return AmrLevel::derive(name, time, ngrow); + } +} + +void +PeleC::particleRedistribute(int lbase, int nGrow, int local, bool init_part) +{ + BL_PROFILE("PeleC::particleRedistribute()"); + int flev = parent->finestLevel(); + if (theSprayPC()) { + amrex::Gpu::LaunchSafeGuard lsg(true); + // + // If we are calling with init_part = true, then we want to force the + // redistribute without checking whether the grids have changed. + // + if (init_part) { + theSprayPC()->Redistribute(lbase); + return; + } + + // + // These are usually the BoxArray and DMap from the last regridding. + // + static Vector ba; + static Vector dm; + + bool changed = false; + + while (parent->getAmrLevels()[flev] == nullptr) { + flev--; + } + + if (ba.size() != flev + 1) { + ba.resize(flev + 1); + dm.resize(flev + 1); + changed = true; + } else { + for (int i = 0; i <= flev && !changed; i++) { + // Check if BoxArrays have changed during regridding + if (ba[i] != parent->boxArray(i)) + changed = true; + + if (!changed) { + // Check DistributionMaps have changed during regridding + if (dm[i] != parent->getLevel(i).get_new_data(0).DistributionMap()) + changed = true; + } + } + } + + if (changed) { + // + // We only need to call Redistribute if the BoxArrays or DistMaps have + // changed. + // We also only call it for particles >= lbase. This is + // because if we called redistribute during a subcycle, there may be + // particles not in the proper position on coarser levels. + // + if (verbose && ParallelDescriptor::IOProcessor()) + amrex::Print() << "Calling redistribute because grid has changed " + << '\n'; + if (flev == 0) { + // Do a local redistribute + theSprayPC()->Redistribute(lbase, -1, nGrow, true); + } else { + theSprayPC()->Redistribute(lbase, -1, nGrow, false); + } + // + // Use the new BoxArray and DistMap to define ba and dm for next time. + // + for (int i = 0; i <= flev; i++) { + ba[i] = parent->boxArray(i); + dm[i] = parent->getLevel(i).get_new_data(0).DistributionMap(); + } + } else { + if (verbose && ParallelDescriptor::IOProcessor()) + amrex::Print() + << "NOT calling redistribute because grid has NOT changed " << '\n'; + } + } +} + +void +PeleC::particleTimestamp(int ngrow) +{ +#if 1 + return; + amrex::Abort("Need to fill in PeleC::TimestampParticles"); +#else + static bool first = true; + static int imax = -1; + if (first) { + first = false; + + ParmParse ppp("particles"); + + // have to do it here, not in read_particle_params, because Density, ..., + // are set after read_particle_params is called. + + int timestamp_density = 1; + ppp.query("timestamp_density", timestamp_density); + if (timestamp_density) { + timestamp_indices.push_back(Density); + amrex::Print() << "Density = " << Density << std::endl; + } + + int timestamp_temperature = 0; + ppp.query("timestamp_temperature", timestamp_temperature); + if (timestamp_temperature) { + timestamp_indices.push_back(Temp); + amrex::Print() << "Temp = " << Temp << std::endl; + } + + if (!timestamp_indices.empty()) { + imax = *( + amrex::max_element(timestamp_indices.begin(), timestamp_indices.end())); + } + } + + if (theSprayPC() && !timestamp_dir.empty()) { + std::string basename = timestamp_dir; + + if (basename[basename.length() - 1] != '/') + basename += '/'; + + basename += "Timestamp"; + + int finest_level = parent->finestLevel(); + Real time = state[State_Type].curTime(); + + for (int lev = level; lev <= finest_level; lev++) { + if (theSprayPC()->NumberOfParticlesAtLevel(lev) <= 0) + continue; + + MultiFab& S_new = parent->getLevel(lev).get_new_data(State_Type); + + if (imax >= 0) { // FillPatchIterator will fail otherwise + int ng = (lev == level) ? ngrow : 1; + FillPatchIterator fpi( + parent->getLevel(lev), S_new, ng, time, State_Type, 0, imax + 1); + const MultiFab& S = fpi.get_mf(); + theSprayPC()->Timestamp(basename, S, lev, time, timestamp_indices); + } else { + theSprayPC()->Timestamp(basename, S_new, lev, time, timestamp_indices); + } + } + } +#endif +} + +#endif diff --git a/SourceCpp/PeleC.H b/SourceCpp/PeleC.H new file mode 100644 index 000000000..292dd2db7 --- /dev/null +++ b/SourceCpp/PeleC.H @@ -0,0 +1,978 @@ +#ifndef _PELEC_H_ +#define _PELEC_H_ + +#include + +#include +#include +#include + +#ifdef PELEC_USE_EB +#include +#include "EBStencilTypes.H" +#include "SparseData.H" +#include +#include +#include +#else +#include +#endif + +#ifdef AMREX_LAZY +#include +#endif + +#ifdef AMREX_PARTICLES +#include +#include +#endif + +#include "Filter.H" +#include "IndexDefines.H" + +using std::istream; +using std::ostream; + +#define UserBC 6 + +enum StateType { + State_Type = 0 +#ifdef PELEC_USE_REACTIONS + , + Reactions_Type +#endif + , + Work_Estimate_Type +}; + +// Create storage for all source terms. + +enum sources { + ext_src = 0, + forcing_src, +#ifdef AMREX_PARTICLES + spray_src, +#endif + diff_src, + les_src, +#ifdef PELEC_USE_MASA + mms_src, +#endif + num_src +}; + +static amrex::Box +the_same_box(const amrex::Box& b) +{ + return b; +} +static amrex::Box +grow_box_by_one(const amrex::Box& b) +{ + return amrex::grow(b, 1); +} + +// +// AmrLevel-derived class for hyperbolic conservation equations for stellar +// media +// + +class PeleC : public amrex::AmrLevel +{ +public: + // + // Default constructor. Builds invalid object. + // + PeleC(); + // + // The basic constructor. + // + PeleC( + amrex::Amr& papa, + int lev, + const amrex::Geometry& level_geom, + const amrex::BoxArray& bl, + const amrex::DistributionMapping& dm, + amrex::Real time); + // + // The destructor. + // + virtual ~PeleC(); + // + // Restart from a checkpoint file. + // + virtual void + restart(amrex::Amr& papa, istream& is, bool bReadSpecial = false) override; + // + // This is called only when we restart from an old checkpoint. + // + virtual void + set_state_in_checkpoint(amrex::Vector& state_in_checkpoint) override; + // + // Call AmrLevel::checkPoint and then add radiation info + // + virtual void checkPoint( + const std::string& dir, + std::ostream& os, + amrex::VisMF::How how, + bool dump_old) override; + + /*A string written as the first item in writePlotFile() at + level zero. It is so we can distinguish between different + types of plot files. For PeleC it has the form: PeleC-Vnnn + */ + virtual std::string thePlotFileType() const override; + + virtual void setPlotVariables() override; + // + // Write a plotfile to specified directory. + // + virtual void writePlotFile( + const std::string& dir, ostream& os, amrex::VisMF::How how) override; + virtual void writeSmallPlotFile( + const std::string& dir, ostream& os, amrex::VisMF::How how) override; + void writeJobInfo(const std::string& dir); + static void writeBuildInfo(std::ostream& os); + + // + // Define data descriptors. + // + static void variableSetUp(); + // + // Cleanup data descriptors at end of run. + // + static void variableCleanUp(); + // + // Initialize grid data at problem start-up. + // + virtual void initData() override; + +#ifdef AMREX_PARTICLES + // + // Read particle-related inputs + // + static void readParticleParams(); + // + // Define particle related variables + // + static void defineParticles(); + // + // Initialize particle locations and velocities (and strengths if relevant) + // + void initParticles(); + // + // Timestamp particles + // + void particleTimestamp(int ngrow); + // + // Default verbosity of Particle class + // + static int particle_verbose; + + // + // How to initialize at restart + // + void particlePostRestart( + const std::string& restart_file, bool is_checkpoint = true); + + // + // Redistribute + // + virtual void particleRedistribute( + int lbase = 0, int nGrow = 0, int local = 0, bool init_part = false); + // + // Setup virtual particles if necessary + // + void setupVirtualParticles(); + // + // Remove virtual particles if necessary + // + void removeVirtualParticles(); + // + // Setup ghost particles (for finer levels) if necessary + // + void setupGhostParticles(int ngrow); + // + // Remove ghost particles (for this level) if necessary + // + void removeGhostParticles(); + // + // Time step control based on particles + // + void particleEstTimeStep(amrex::Real& est_dt); + + // + // Derived quantities associated with particles + // + std::unique_ptr + particleDerive(const std::string& name, amrex::Real time, int ngrow); + + // + // Default cfl of particles in Particle class + // + static amrex::Real particle_cfl; + // + // Should we write particles into plotfiles? + // + static int write_particle_plotfiles; + // + // Should we write particle ascii files? + // + static int write_spray_ascii_files; + + void setSprayGridInfo( + const int amr_iteration, + const int amr_ncycle, + int& ghost_width, + int& where_width, + int& spray_n_grow, + int& tmp_src_width); + + static int particle_mass_tran; + static int particle_heat_tran; + static int particle_mom_tran; + static amrex::Vector sprayFuelNames; + static amrex::Real sprayRefT; +#endif + + // + // Get problem metrics. + // + amrex::MultiFab* Area(); + amrex::MultiFab& Area(int dir); + // + // The volume of the multifab. + // + amrex::MultiFab& Volume(); + + // Set time levels of state data. + // + virtual void setTimeLevel( + amrex::Real time, amrex::Real dt_old, amrex::Real dt_new) override; + // + // Initialize data on this level from another PeleC (during regrid). + // + virtual void init(amrex::AmrLevel& old) override; + // + // Initialize data on this level after regridding if old level did not + // previously exist + // + virtual void init() override; + + /** + * Initialize EB geometry for finest_level and level grids for + * other levels + */ +#ifdef PELEC_USE_EB + static bool DoMOLLoadBalance() { return do_mol_load_balance; } + + // for the Amr class to do timed load balances. + virtual int WorkEstType() override { return Work_Estimate_Type; } + + const amrex::MultiFab& volFrac() const { return vfrac; } + + void init_eb( + const amrex::Geometry& level_geom, + const amrex::BoxArray& ba, + const amrex::DistributionMapping& dm); + + void initialize_eb2_structs(); + + void define_body_state(); + + void set_body_state(amrex::MultiFab& S); + + void zero_in_body(amrex::MultiFab& S) const; +#endif + // + // Proceed with next timestep? + // + virtual int okToContinue() override; + // + // Advance grids at this level in time. + // + virtual amrex::Real + advance(amrex::Real time, amrex::Real dt, int iteration, int ncycle) override; + + amrex::Real do_mol_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle); + + amrex::Real do_sdc_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle); + + void initialize_sdc_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle); + + void finalize_sdc_advance( + amrex::Real time, amrex::Real dt, int amr_iteration, int amr_ncycle); + + amrex::Real do_sdc_iteration( + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle); + + void initialize_sdc_iteration( + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sdc_iteration, + int sdc_ncycle); + + void finalize_sdc_iteration( + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sdc_iteration, + int sdc_ncycle); + + void construct_Snew( + amrex::MultiFab& S_new, const amrex::MultiFab& S_old, amrex::Real dt); + + void construct_hydro_source( + const amrex::MultiFab& S, + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle); + + void construct_old_source( + int src, + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle); + + void construct_new_source( + int src, + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle); + + void sum_of_sources(amrex::MultiFab& source); + + void construct_old_ext_source(amrex::Real time, amrex::Real dt); + + void construct_new_ext_source(amrex::Real time, amrex::Real dt); + + void fill_ext_source( + amrex::Real time, + amrex::Real dt, + const amrex::MultiFab& S_old, + const amrex::MultiFab& S_new, + amrex::MultiFab& ext_src, + int ng); + + void construct_old_forcing_source(amrex::Real time, amrex::Real dt); + + void construct_new_forcing_source(amrex::Real time, amrex::Real dt); + + void fill_forcing_source( + amrex::Real time, + amrex::Real dt, + const amrex::MultiFab& S_old, + const amrex::MultiFab& S_new, + amrex::MultiFab& forcing_src, + int ng); + +#ifdef PELEC_USE_MASA + void construct_old_mms_source(amrex::Real time); + + void construct_new_mms_source(amrex::Real time); + + void fill_mms_source( + amrex::Real time, + const amrex::MultiFab& S, + amrex::MultiFab& mms_src, + int ng); +#endif + + void getLESTerm( + amrex::Real time, + amrex::Real dt, + amrex::MultiFab& LESTerm, + amrex::Real flux_factor); + + void getSmagorinskyLESTerm( + amrex::Real time, + amrex::Real dt, + amrex::MultiFab& LESTerm, + amrex::Real flux_factor); + + void getDynamicSmagorinskyLESTerm( + amrex::Real time, + amrex::Real dt, + amrex::MultiFab& LESTerm, + amrex::Real flux_factor); + + void construct_old_les_source( + amrex::Real time, amrex::Real dt, int sub_iteration, int sub_ncycle); + + void construct_new_les_source( + amrex::Real time, amrex::Real dt, int sub_iteration, int sub_ncycle); + + static void set_active_sources(); + + // + // Estimate time step. + // + amrex::Real estTimeStep(amrex::Real dt_old); + // + // Compute initial time step. + // + amrex::Real initialTimeStep(); + // + // Compute initial `dt'. + // + virtual void computeInitialDt( + int finest_level, + int sub_cycle, + amrex::Vector& n_cycle, + const amrex::Vector& ref_ratio, + amrex::Vector& dt_level, + amrex::Real stop_time) override; + // + // Compute new `dt'. + // + virtual void computeNewDt( + int finest_level, + int sub_cycle, + amrex::Vector& n_cycle, + const amrex::Vector& ref_ratio, + amrex::Vector& dt_min, + amrex::Vector& dt_level, + amrex::Real stop_time, + int post_regrid_flag) override; + // + // Allocate data at old time. + // + virtual void allocOldData() override; + // + // Remove data at old time. + // + virtual void removeOldData() override; + // + // Passes some data about the grid to a Fortran module. + // + void setGridInfo(); + // + // Print information about energy budget. + // + void do_energy_diagnostics(); + // + // Do work after timestep(). + // + virtual void post_timestep(int iteration) override; + // + // Contains operations to be done only after a full coarse timestep. + // + virtual void postCoarseTimeStep(amrex::Real cumtime) override; + // + // Do work after regrid(). + // + virtual void post_regrid(int lbase, int new_finest) override; + // + // Do work after a restart(). + // + virtual void post_restart() override; + // + // Do work after init(). + // + virtual void post_init(amrex::Real stop_time) override; + // + // Error estimation for regridding. + // + virtual void errorEst( + amrex::TagBoxArray& tb, + int clearval, + int tagval, + amrex::Real time, + int n_error_buf = 0, + int ngrow = 0) override; + + // Returns a MultiFab containing the derived data for this level. + // The user is responsible for deleting this pointer when done + // with it. If ngrow>0 the MultiFab is built on the appropriately + // grown BoxArray. + virtual std::unique_ptr + derive(const std::string& name, amrex::Real time, int ngrow) override; + + // This version of derive() fills the dcomp'th component of mf with the + // derived quantity. + virtual void derive( + const std::string& name, + amrex::Real time, + amrex::MultiFab& mf, + int dcomp) override; + + static int numGrow(); + +#ifdef PELEC_USE_REACTIONS + void react_state( + amrex::Real time, + amrex::Real dt, + bool init = false, + amrex::MultiFab* A_aux = nullptr); +#endif + + void reset_internal_energy(amrex::MultiFab& State, int ng); + + void computeTemp(amrex::MultiFab& State, int ng); + + void getMOLSrcTerm( + const amrex::MultiFab& S, + amrex::MultiFab& MOLSrcTerm, + amrex::Real time, + amrex::Real dt, + amrex::Real flux_factor); + + void enforce_consistent_e(amrex::MultiFab& S); + + amrex::Real volWgtSum( + const std::string& name, + amrex::Real time, + bool local = false, + bool finemask = true); + amrex::Real volWgtSquaredSum( + const std::string& name, amrex::Real time, bool local = false); + amrex::Real volWgtSumMF( + const amrex::MultiFab& mf, + int comp, + bool local = false, + bool finemask = false); + amrex::Real + volWgtSquaredSumDiff(int comp, amrex::Real time, bool local = false); + amrex::Real + maxDerive(const std::string& name, amrex::Real time, bool local = false); + + // static int NVAR; + static int Density, Xmom, Ymom, Zmom, Eden, Eint, Temp; + + static int FirstAdv, NumAdv; + static int FirstSpec; + static int FirstAux; + + /// Index locations into particle state + static int pstateVel, pstateT, pstateDia, pstateRho, pstateY, pstateNum; + + // + // This MultiFab is on the coarser level. This is useful for the coarser + // level to mask out the finer level. We only build this when it is needed. + // This coarse MultiFab has to live on the fine level because it must be + // updated even when only the fine level changes. + // + amrex::MultiFab fine_mask; + amrex::MultiFab& build_fine_mask(); + +#ifdef PELEC_USE_EB + static bool eb_in_domain; + + amrex::EBFluxRegister flux_reg; + + amrex::EBFluxRegister& getFluxReg(); + amrex::EBFluxRegister& getFluxReg(int lev); + + amrex::EBFluxRegister pres_reg; + + amrex::EBFluxRegister& getPresReg(); + amrex::EBFluxRegister& getPresReg(int lev); + + // static EB helper functions called from outside class + static bool ebInitialized(); +#else + amrex::YAFluxRegister flux_reg; + + amrex::YAFluxRegister& getFluxReg(); + amrex::YAFluxRegister& getFluxReg(int lev); + + amrex::YAFluxRegister pres_reg; + + amrex::YAFluxRegister& getPresReg(); + amrex::YAFluxRegister& getPresReg(int lev); +#endif + void avgDown(); + void avgDown(int state_indx); + +protected: + amrex::iMultiFab level_mask; +#ifdef PELEC_USE_EB + std::array areafrac; +#endif + // + // Build a mask that ghost cells overlapping with interior cells in the same + // multifab are set to 0, whereas others are set to 1. + // + amrex::Vector> ib_mask; + const amrex::iMultiFab* build_interior_boundary_mask(int ng); + + /// + /// A state array with ghost zones. + /// + amrex::MultiFab Sborder; + /// + /// Source terms to the hydrodynamics solve. + /// + amrex::MultiFab sources_for_hydro; + + /// + /// Source term representing hydrodynamics update. + /// + amrex::MultiFab hydro_source; + + /// + /// Non-hydro source terms. + /// + amrex::Vector> old_sources; + amrex::Vector> new_sources; + + /// + /// Call extern/networks/.../network.f90::network_init() + /// + static void init_extern(); + + static void init_network(); + static void close_network(); + +#ifdef PELEC_USE_REACTIONS + static void init_reactor(); + static void close_reactor(); +#endif + + static void init_eos(); + + static void init_transport(); + static void close_transport(); + + void init_les(); + void init_filters(); + +#ifdef PELEC_USE_MASA + static void init_mms(); +#endif + + static void clear_prob(); + + static void read_params(); + + static void read_tagging_params(); + + PeleC& getLevel(int lev); + + void reflux(); + + void normalize_species(amrex::MultiFab& S_new); + + amrex::Real + enforce_min_density(amrex::MultiFab& S_old, amrex::MultiFab& S_new); + + amrex::Real clean_state(amrex::MultiFab& state); + + amrex::Real clean_state(amrex::MultiFab& state, amrex::MultiFab& state_old); + + void buildMetrics(); + + /// integrate derived quantities over domain + + amrex::Real + sumDerive(const std::string& name, amrex::Real time, bool local = false); + + void sum_integrated_quantities(); + + void write_info(); + + void stopJob(); + + // + // The data. + // + amrex::MultiFab volume; + amrex::MultiFab area[AMREX_SPACEDIM]; + amrex::MultiFab dLogArea[1]; + amrex::Vector> radius; + int m_ngrow; + // + // Static data members. + // +#include "pelec_params.H" + + static bool signalStopJob; + static bool dump_old; + static int radius_grow; + static int verbose; + static amrex::BCRec phys_bc; + + /// for keeping track of mass changes from negative density resets + static amrex::Real frac_change; + + /// For keeping track of fluid quantities lost at physical grid boundaries. + /// This should persist through restarts, but right now only on level 0. + static const int n_lost = 8; + amrex::Real material_lost_through_boundary_cumulative[n_lost]; + amrex::Real material_lost_through_boundary_temp[n_lost]; + + /// for keeping track of the amount of CPU time used -- this will persist + /// after restarts + static amrex::Real previousCPUTimeUsed; + static amrex::Real startCPUTime; + + static amrex::Real getCPUTime(); + + static int diffuse_temp; + static int diffuse_enth; + static int diffuse_spec; + static int diffuse_vel; + static amrex::Real diffuse_cutoff_density; + static bool do_diffuse; + + static int les_model; + static int les_filter_type; + static int les_filter_fgr; + Filter les_filter; + int nGrowF; + static int les_test_filter_type; + static int les_test_filter_fgr; + amrex::MultiFab LES_Coeffs; + amrex::MultiFab filtered_les_source; + +#ifdef PELEC_USE_MASA + static bool mms_initialized; + bool mms_src_evaluated; + amrex::MultiFab mms_source; +#endif + + bool FillPatchedOldState_ok; + + // There can be only one Diffusion object, it covers all levels: + static class Diffusion* diffusion; + +#ifdef AMREX_PARTICLES + static int do_spray_particles; + static SprayParticleContainer* theSprayPC(); + static SprayParticleContainer* theVirtPC(); + static SprayParticleContainer* theGhostPC(); +#endif + + static int num_state_type; + + static amrex::Vector spec_names; + + static amrex::Vector src_list; + +/* problem-specific includes */ +#include + + static int nGrowTr; + +#ifdef PELEC_USE_EB + + amrex::FabArray> ebmask; + static amrex::GpuArray body_state; + static bool body_state_set; + static bool eb_initialized; + + amrex::MultiFab vfrac; + + amrex::Vector> sv_eb_bndry_geom; + amrex::Vector> sv_eb_bndry_grad_stencil; + amrex:: + GpuArray>, AMREX_SPACEDIM> + flux_interp_stencil; + + amrex::Vector> sv_eb_flux; + amrex::Vector> sv_eb_bcval; +#endif + static bool do_react_load_balance; + static bool do_mol_load_balance; +}; + +void pc_bcfill_hyp( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp); + +void pc_reactfill_hyp( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp); + +// +// Inlines. +// + +AMREX_FORCE_INLINE +int +PeleC::numGrow() +{ + return NUM_GROW; +} + +AMREX_FORCE_INLINE +amrex::MultiFab* +PeleC::Area() +{ + return area; +} + +AMREX_FORCE_INLINE +amrex::MultiFab& +PeleC::Area(int dir) +{ + return area[dir]; +} + +AMREX_FORCE_INLINE +amrex::MultiFab& +PeleC::Volume() +{ + return volume; +} + +AMREX_FORCE_INLINE +PeleC& +PeleC::getLevel(int lev) +{ + return *(PeleC*)&parent->getLevel(lev); +} + +AMREX_FORCE_INLINE +void +PeleC::stopJob() +{ + signalStopJob = true; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_check_initial_species( + const int i, const int j, const int k, amrex::Array4 const& Sfab) +{ + amrex::Real spec_sum = 0.0; + for (int n = 0; n < NUM_SPECIES; n++) { + spec_sum = spec_sum + Sfab(i, j, k, UFS + n); + } + if (fabs(Sfab(i, j, k, URHO) - spec_sum) > 1.e-8 * Sfab(i, j, k, URHO)) { + // print *,'Sum of (rho X)_i vs rho at (i,j,k): + // ',i,j,k,spec_sum,state(i,j,k,URHO) + amrex::Abort("Error:: Failed check of initial species summing to 1"); + } +} + +void pc_bcfill_hyp( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp); +#ifdef PELEC_USE_REACTIONS +void pc_reactfill_hyp( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp); +#endif + +void pc_nullfill( + amrex::Box const& bx, + amrex::FArrayBox& data, + const int dcomp, + const int numcomp, + amrex::Geometry const& geom, + const amrex::Real time, + const amrex::Vector& bcr, + const int bcomp, + const int scomp); + +#ifdef PELEC_USE_EB +AMREX_FORCE_INLINE +amrex::EBFluxRegister& +PeleC::getFluxReg() +{ + return flux_reg; +} + +AMREX_FORCE_INLINE +amrex::EBFluxRegister& +PeleC::getFluxReg(int lev) +{ + return getLevel(lev).getFluxReg(); +} + +AMREX_FORCE_INLINE +amrex::EBFluxRegister& +PeleC::getPresReg() +{ + return pres_reg; +} + +AMREX_FORCE_INLINE +amrex::EBFluxRegister& +PeleC::getPresReg(int lev) +{ + return getLevel(lev).getPresReg(); +} + +#else + +AMREX_FORCE_INLINE +amrex::YAFluxRegister& +PeleC::getFluxReg() +{ + return flux_reg; +} + +AMREX_FORCE_INLINE +amrex::YAFluxRegister& +PeleC::getFluxReg(int lev) +{ + return getLevel(lev).getFluxReg(); +} + +AMREX_FORCE_INLINE +amrex::YAFluxRegister& +PeleC::getPresReg() +{ + return pres_reg; +} + +AMREX_FORCE_INLINE +amrex::YAFluxRegister& +PeleC::getPresReg(int lev) +{ + return getLevel(lev).getPresReg(); +} +#endif + +#endif diff --git a/SourceCpp/PeleC.cpp b/SourceCpp/PeleC.cpp new file mode 100644 index 000000000..7011a2985 --- /dev/null +++ b/SourceCpp/PeleC.cpp @@ -0,0 +1,2200 @@ +#ifdef _OPENMP +#include +#endif + +#include +#include +#include +#include +#include +#include + +#ifdef PELEC_USE_EB +#include +#endif + +#ifdef AMREX_PARTICLES +#include +#endif + +#ifdef PELEC_USE_MASA +#include +using namespace MASA; +#endif + +#include "PeleC.H" +#include "Derive.H" +#include "prob.H" +#include "Transport.H" +#include "EOS.H" +#include "Timestep.H" +#include "Utilities.H" +#include "Tagging.H" +#include "IndexDefines.H" +#ifdef USE_SUNDIALS_PP +#include +#endif + +bool PeleC::signalStopJob = false; +bool PeleC::dump_old = false; +int PeleC::verbose = 0; +int PeleC::radius_grow = 1; +amrex::BCRec PeleC::phys_bc; +// int PeleC::NUM_GROW = -1; +// int PeleC::NVAR = -1; +// int PeleC::QTHERM = -1; +// int PeleC::QVAR = -1; +// int PeleC::cQRHO = -1; +// int PeleC::cQU = -1; +// int PeleC::cQV = -1; +// int PeleC::cQW = -1; +// int PeleC::cQGAME = -1; +// int PeleC::cQPRES = -1; +// int PeleC::cQREINT = -1; +// int PeleC::cQTEMP = -1; +// int PeleC::cQFA = -1; +// int PeleC::cQFS = -1; +// int PeleC::cQFX = -1; +// int PeleC::NQAUX = -1; +// int PeleC::cQGAMC = -1; +// int PeleC::cQC = -1; +// int PeleC::cQCSML = -1; +// int PeleC::cQDPDR = -1; +// int PeleC::cQDPDE = -1; +// int PeleC::cQRSPEC = -1; +amrex::Real PeleC::frac_change = 1.e200; +int PeleC::Density = -1; +int PeleC::Eden = -1; +int PeleC::Eint = -1; +int PeleC::Temp = -1; +int PeleC::Xmom = -1; +int PeleC::Ymom = -1; +int PeleC::Zmom = -1; +int PeleC::FirstSpec = -1; +int PeleC::FirstAux = -1; +int PeleC::NumAdv = 0; +int PeleC::FirstAdv = -1; +int PeleC::pstateVel = -1; +int PeleC::pstateT = -1; +int PeleC::pstateDia = -1; +int PeleC::pstateRho = -1; +int PeleC::pstateY = -1; +int PeleC::pstateNum = 0; + +#include "pelec_defaults.H" + +int PeleC::nGrowTr = 4; +int PeleC::diffuse_temp = 0; +int PeleC::diffuse_enth = 0; +int PeleC::diffuse_spec = 0; +int PeleC::diffuse_vel = 0; +amrex::Real PeleC::diffuse_cutoff_density = -1.e200; +bool PeleC::do_diffuse = false; + +#ifdef PELEC_USE_MASA +bool PeleC::mms_initialized = false; +#endif + +int PeleC::les_model = 0; +int PeleC::les_filter_type = no_filter; +int PeleC::les_filter_fgr = 1; +int PeleC::les_test_filter_type = box_3pt_optimized_approx; +int PeleC::les_test_filter_fgr = 2; + +#ifdef PELEC_USE_EB +bool PeleC::eb_initialized = false; +bool PeleC::eb_in_domain = false; +bool PeleC::body_state_set = false; +amrex::GpuArray PeleC::body_state; +#endif + +bool PeleC::do_react_load_balance = false; +bool PeleC::do_mol_load_balance = false; + +amrex::Vector PeleC::spec_names; + +amrex::Vector PeleC::src_list; + +// this will be reset upon restart +amrex::Real PeleC::previousCPUTimeUsed = 0.0; +amrex::Real PeleC::startCPUTime = 0.0; +int PeleC::num_state_type = 0; + +#ifdef PELEC_USE_EB +static bool eb_initialized = false; + +bool +ebInitialized() +{ + return eb_initialized; +} + +void +ebInitialized(bool eb_init_val) +{ + eb_initialized = eb_init_val; +} +#endif + +void +PeleC::variableCleanUp() +{ + + desc_lst.clear(); + + // Don't need this in pure C++? + // clear_method_params(); + + transport_close(); + +#ifdef PELEC_USE_REACTIONS + if (do_react == 1) { + close_reactor(); + } +#endif + + close_network(); + + // Don't need this in pure C++? + // clear_grid_info(); + + clear_prob(); + +#ifdef PELEC_USE_EB + eb_initialized = false; +#endif +} + +void +PeleC::read_params() +{ + static bool read_params_done = false; + + if (read_params_done) + return; + + read_params_done = true; + + amrex::ParmParse pp("pelec"); + +#include + + pp.query("v", verbose); + pp.query("sum_interval", sum_interval); + pp.query("dump_old", dump_old); + + // Get boundary conditions + amrex::Vector lo_bc_char(AMREX_SPACEDIM); + amrex::Vector hi_bc_char(AMREX_SPACEDIM); + pp.getarr("lo_bc", lo_bc_char, 0, AMREX_SPACEDIM); + pp.getarr("hi_bc", hi_bc_char, 0, AMREX_SPACEDIM); + + amrex::Vector lo_bc(AMREX_SPACEDIM), hi_bc(AMREX_SPACEDIM); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + if (!lo_bc_char[dir].compare("Interior")) { + lo_bc[dir] = 0; + } else if (!lo_bc_char[dir].compare("Hard")) { + lo_bc[dir] = 1; + } else if (!lo_bc_char[dir].compare("FOExtrap")) { + lo_bc[dir] = 2; + } else if (!lo_bc_char[dir].compare("Symmetry")) { + lo_bc[dir] = 3; + } else if (!lo_bc_char[dir].compare("SlipWall")) { + lo_bc[dir] = 4; + } else if (!lo_bc_char[dir].compare("NoSlipWall")) { + lo_bc[dir] = 5; + } else if (!lo_bc_char[dir].compare("UserBC")) { + lo_bc[dir] = 6; + } else { + amrex::Abort("Wrong boundary condition word in lo_bc, please use: " + "Interior, UserBC, Symmetry, SlipWall, NoSlipWall"); + } + + if (!hi_bc_char[dir].compare("Interior")) { + hi_bc[dir] = 0; + } else if (!hi_bc_char[dir].compare("Hard")) { + hi_bc[dir] = 1; + } else if (!hi_bc_char[dir].compare("FOExtrap")) { + hi_bc[dir] = 2; + } else if (!hi_bc_char[dir].compare("Symmetry")) { + hi_bc[dir] = 3; + } else if (!hi_bc_char[dir].compare("SlipWall")) { + hi_bc[dir] = 4; + } else if (!hi_bc_char[dir].compare("NoSlipWall")) { + hi_bc[dir] = 5; + } else if (!hi_bc_char[dir].compare("UserBC")) { + hi_bc[dir] = 6; + } else { + amrex::Abort("Wrong boundary condition word in hi_bc, please use: " + "Interior, UserBC, Symmetry, SlipWall, NoSlipWall"); + } + } + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + phys_bc.setLo(dir, lo_bc[dir]); + phys_bc.setHi(dir, hi_bc[dir]); + } + + // + // Check phys_bc against possible periodic geometry + // if periodic, must have internal BC marked. + // + if (amrex::DefaultGeometry().isAnyPeriodic()) { + // + // Do idiot check. Periodic means interior in those directions. + // + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + if (amrex::DefaultGeometry().isPeriodic(dir)) { + if ( + lo_bc[dir] != Interior && amrex::ParallelDescriptor::IOProcessor()) { + std::cerr << "PeleC::read_params:periodic in direction " << dir + << " but low BC is not Interior\n"; + amrex::Error(); + } + if ( + hi_bc[dir] != Interior && amrex::ParallelDescriptor::IOProcessor()) { + std::cerr << "PeleC::read_params:periodic in direction " << dir + << " but high BC is not Interior\n"; + amrex::Error(); + } + } + } + } else { + // + // Do idiot check. If not periodic, should be no interior. + // + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + if (lo_bc[dir] == Interior && amrex::ParallelDescriptor::IOProcessor()) { + std::cerr << "PeleC::read_params:interior bc in direction " << dir + << " but not periodic\n"; + amrex::Error(); + } + if (hi_bc[dir] == Interior && amrex::ParallelDescriptor::IOProcessor()) { + std::cerr << "PeleC::read_params:interior bc in direction " << dir + << " but not periodic\n"; + amrex::Error(); + } + } + } + + if (amrex::DefaultGeometry().IsRZ() && (lo_bc[0] != Symmetry)) { + amrex::Error("PeleC::read_params: must set r=0 boundary condition to " + "Symmetry for r-z"); + } + + // TODO: Any reason to support spherical in PeleC? + if (amrex::DefaultGeometry().IsRZ()) { + amrex::Abort("We don't support cylindrical coordinate systems in 3D"); + } else if (amrex::DefaultGeometry().IsSPHERICAL()) { + amrex::Abort("We don't support spherical coordinate systems in 3D"); + } + + pp.query("diffuse_temp", diffuse_temp); + pp.query("diffuse_enth", diffuse_enth); + pp.query("diffuse_spec", diffuse_spec); + pp.query("diffuse_vel", diffuse_vel); + pp.query("diffuse_cutoff_density", diffuse_cutoff_density); + + do_diffuse = diffuse_temp || diffuse_enth || diffuse_spec || diffuse_vel; + + // sanity checks + if (cfl <= 0.0 || cfl > 1.0) { + amrex::Error("Invalid CFL factor; must be between zero and one."); + } + + if ((do_les or use_explicit_filter) and (AMREX_SPACEDIM != 3)) { + amrex::Abort("Using LES/filtering currently requires 3d."); + } + + if (do_les) { + pp.query("les_model", les_model); + pp.query("les_test_filter_type", les_test_filter_type); + pp.query("les_test_filter_fgr", les_test_filter_fgr); + } + + if (use_explicit_filter) { + pp.query("les_filter_type", les_filter_type); + pp.query("les_filter_fgr", les_filter_fgr); + } + + // for the moment, ppm_type = 0 does not support ppm_trace_sources -- + // we need to add the momentum sources to the states (and not + // add it in trans_3d + if (ppm_type == 0 && ppm_trace_sources == 1) { + amrex::Print() + << "WARNING: ppm_trace_sources = 1 not implemented for ppm_type = 0" + << std::endl; + ppm_trace_sources = 0; + pp.add("ppm_trace_sources", ppm_trace_sources); + } + /* + if (ppm_temp_fix > 0 && AMREX_SPACEDIM == 1) { + amrex::Error("ppm_temp_fix > 0 not implemented in 1-d"); + } + + if (hybrid_riemann == 1 && AMREX_SPACEDIM == 1) { + amrex::Error("hybrid_riemann only implemented in 2- and 3-d"); + } + */ + if ( + hybrid_riemann == 1 && (amrex::DefaultGeometry().IsSPHERICAL() || + amrex::DefaultGeometry().IsRZ())) { + amrex::Error( + "hybrid_riemann should only be used for Cartesian coordinates"); + } + + if (use_colglaz >= 0) { + amrex::Error("use_colglaz is deprecated. Use riemann_solver instead"); + } + + if (max_dt < fixed_dt) { + amrex::Error("Cannot have max_dt < fixed_dt"); + } + +#ifdef AMREX_PARTICLES + readParticleParams(); +#endif + +#ifdef PELEC_USE_EB + if (do_mol == 0) { + amrex::Abort("Must do_mol = 1 when using EB\n"); + } +#endif + + // Read tagging parameters + read_tagging_params(); + + // TODO: What is this? + amrex::StateDescriptor::setBndryFuncThreadSafety(bndry_func_thread_safe); + + // Get some useful amr inputs + amrex::ParmParse ppa("amr"); + + // This turns on the lb stuff inside Amr, but we use our own flag to signal + // whether to gather data + ppa.query("loadbalance_with_workestimates", do_mol_load_balance); + ppa.query("loadbalance_with_workestimates", do_react_load_balance); +} + +PeleC::PeleC() + : old_sources(num_src), + new_sources(num_src) +#ifdef PELEC_USE_MASA + , + mms_src_evaluated(false) +#endif +{ +} + +PeleC::PeleC( + amrex::Amr& papa, + int lev, + const amrex::Geometry& level_geom, + const amrex::BoxArray& bl, + const amrex::DistributionMapping& dm, + amrex::Real time) + : AmrLevel(papa, lev, level_geom, bl, dm, time), + old_sources(num_src), + new_sources(num_src) +#ifdef PELEC_USE_MASA + , + mms_src_evaluated(false) +#endif +{ + buildMetrics(); + +#ifdef PELEC_USE_EB + init_eb(level_geom, bl, dm); +#endif + + amrex::MultiFab& S_new = get_new_data(State_Type); + + for (int n = 0; n < src_list.size(); ++n) { + int oldGrow = NUM_GROW; + int newGrow = S_new.nGrow(); +#ifdef AMREX_PARTICLES + if (src_list[n] == spray_src) { + oldGrow = 1; + newGrow = amrex::max(1, newGrow); + } +#endif + old_sources[src_list[n]] = + std::unique_ptr(new amrex::MultiFab( + grids, dmap, NVAR, oldGrow, amrex::MFInfo(), Factory())); + new_sources[src_list[n]] = + std::unique_ptr(new amrex::MultiFab( + grids, dmap, NVAR, newGrow, amrex::MFInfo(), Factory())); + } + + if (do_hydro) { + Sborder.define(grids, dmap, NVAR, NUM_GROW, amrex::MFInfo(), Factory()); + } else if (do_diffuse) { + Sborder.define(grids, dmap, NVAR, nGrowTr, amrex::MFInfo(), Factory()); + } +#ifdef AMREX_PARTICLES + else if (do_spray_particles) { + Sborder.define(grids, dmap, NVAR, NUM_GROW, amrex::MFInfo(), Factory()); + } +#endif + + if (!do_mol) { + if (do_hydro) { + hydro_source.define( + grids, dmap, NVAR, NUM_GROW, amrex::MFInfo(), Factory()); + + // This array holds the sum of all source terms that affect the + // hydrodynamics. If we are doing the source term predictor, we'll also + // use this after the hydro update to store the sum of the new-time + // sources, so that we can compute the time derivative of the source + // terms. + sources_for_hydro.define( + grids, dmap, NVAR, NUM_GROW, amrex::MFInfo(), Factory()); + } + } else { + Sborder.define(grids, dmap, NVAR, nGrowTr, amrex::MFInfo(), Factory()); + } + + // Is this relevant for PeleC? + for (int i = 0; i < n_lost; i++) { + material_lost_through_boundary_cumulative[i] = 0.0; + material_lost_through_boundary_temp[i] = 0.; + } + + if (do_reflux && level > 0) { + flux_reg.define( + bl, papa.boxArray(level - 1), dm, papa.DistributionMap(level - 1), + level_geom, papa.Geom(level - 1), papa.refRatio(level - 1), level, NVAR); + + if (!amrex::DefaultGeometry().IsCartesian()) { + pres_reg.define( + bl, papa.boxArray(level - 1), dm, papa.DistributionMap(level - 1), + level_geom, papa.Geom(level - 1), papa.refRatio(level - 1), level, 1); + } + } + +#ifdef PELEC_USE_REACTIONS + get_new_data(Reactions_Type).setVal(0.0); +#endif + + // Don't need this in pure C++? + // initialize the Godunov state array used in hydro -- we wait + // until here so that ngroups is defined (if needed) in + // rad_params_module + // if (do_hydro) + //{ + // init_godunov_indices(); + //} + + // initialize LES variables + if (do_les) { + init_les(); + } + + // initialize filters and variables + nGrowF = 0; + if (use_explicit_filter) { + init_filters(); + } +} + +PeleC::~PeleC() {} + +void +PeleC::buildMetrics() +{ + const int ngrd = grids.size(); + + radius.resize(ngrd); + + const amrex::Real* dx = geom.CellSize(); + + for (int i = 0; i < ngrd; i++) { + const amrex::Box& b = grids[i]; + int ilo = b.smallEnd(0) - radius_grow; + int ihi = b.bigEnd(0) + radius_grow; + int len = ihi - ilo + 1; + + radius[i].resize(len); + + amrex::Real* rad = radius[i].dataPtr(); + + if (amrex::DefaultGeometry().IsCartesian()) { + for (int j = 0; j < len; j++) { + rad[j] = 1.0; + } + } else { + amrex::RealBox gridloc = + amrex::RealBox(grids[i], geom.CellSize(), geom.ProbLo()); + + const amrex::Real xlo = gridloc.lo(0) + (0.5 - radius_grow) * dx[0]; + + for (int j = 0; j < len; j++) { + rad[j] = xlo + j * dx[0]; + } + } + } + + volume.clear(); + volume.define( + grids, dmap, 1, NUM_GROW, amrex::MFInfo(), amrex::FArrayBoxFactory()); + geom.GetVolume(volume); + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + area[dir].clear(); + area[dir].define( + getEdgeBoxArray(dir), dmap, 1, NUM_GROW, amrex::MFInfo(), + amrex::FArrayBoxFactory()); + geom.GetFaceArea(area[dir], dir); + } + +#ifdef PELEC_USE_EB + vfrac.clear(); + vfrac.define(grids, dmap, 1, NUM_GROW, amrex::MFInfo(), Factory()); + const auto& ebfactory = + dynamic_cast(Factory()); + amrex::MultiFab::Copy(vfrac, ebfactory.getVolFrac(), 0, 0, 1, NUM_GROW); + areafrac = ebfactory.getAreaFrac(); +#endif + + level_mask.clear(); + level_mask.define(grids, dmap, 1, 1); + level_mask.BuildMask( + geom.Domain(), geom.periodicity(), levmsk_covered, levmsk_notcovered, + levmsk_physbnd, levmsk_interior); + + if (level == 0) + setGridInfo(); +} + +void +PeleC::setTimeLevel(amrex::Real time, amrex::Real dt_old, amrex::Real dt_new) +{ + AmrLevel::setTimeLevel(time, dt_old, dt_new); +} + +void +PeleC::setGridInfo() +{ + /** Send refinement data to Fortran. We do it here + because now the grids have been initialized and + we need this data for setting up the problem. + Note that this routine will always get called + on level 0, even if we are doing a restart, + so it is safe to put this here. + */ + + if (level == 0) { + int max_level = parent->maxLevel(); + int nlevs = max_level + 1; + + amrex::Real dx_level[3 * nlevs]; + int domlo_level[3 * nlevs]; + int domhi_level[3 * nlevs]; + + const amrex::Real* dx_coarse = geom.CellSize(); + + const int* domlo_coarse = geom.Domain().loVect(); + const int* domhi_coarse = geom.Domain().hiVect(); + + for (int dir = 0; dir < 3; dir++) { + dx_level[dir] = (ZFILL(dx_coarse))[dir]; + + domlo_level[dir] = (ARLIM_3D(domlo_coarse))[dir]; + domhi_level[dir] = (ARLIM_3D(domhi_coarse))[dir]; + } + + for (int lev = 1; lev <= max_level; lev++) { + amrex::IntVect ref_ratio = parent->refRatio(lev - 1); + + // Note that we are explicitly calculating here what the + // data would be on refined levels rather than getting the + // data directly from those levels, because some potential + // refined levels may not exist at the beginning of the simulation. + + for (int dir = 0; dir < 3; dir++) { + if (dir < AMREX_SPACEDIM) { + dx_level[3 * lev + dir] = + dx_level[3 * (lev - 1) + dir] / ref_ratio[dir]; + int ncell = (domhi_level[3 * (lev - 1) + dir] - + domlo_level[3 * (lev - 1) + dir] + 1) * + ref_ratio[dir]; + domlo_level[3 * lev + dir] = domlo_level[dir]; + domhi_level[3 * lev + dir] = domlo_level[3 * lev + dir] + ncell - 1; + } else { + dx_level[3 * lev + dir] = 0.0; + domlo_level[3 * lev + dir] = 0; + domhi_level[3 * lev + dir] = 0; + } + } + } + + // Don't need this in pure C++? + // set_grid_info(max_level, dx_level, domlo_level, domhi_level); + } +} + +/* +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_prob_close() +{ +} +*/ + +void +PeleC::initData() +{ + BL_PROFILE("PeleC::initData()"); + + // int ns = NVAR; + const amrex::GpuArray dx = geom.CellSizeArray(); + amrex::MultiFab& S_new = get_new_data(State_Type); + amrex::Real cur_time = state[State_Type].curTime(); + + S_new.setVal(0.0); + +#if AMREX_SPACEDIM > 1 + // make sure dx = dy = dz -- that's all we guarantee to support + const amrex::Real small = 1.e-13; + if ( + amrex::max(AMREX_D_DECL(0.0, fabs(dx[0] - dx[1]), fabs(dx[0] - dx[2]))) > + small * dx[0]) { + amrex::Abort("dx != dy != dz not supported"); + } +#endif + + if (verbose) { + amrex::Print() << "Initializing the data at level " << level << std::endl; + } + +#ifdef PELEC_USE_REACTIONS + get_new_data(Reactions_Type).setVal(0.0); +#endif + + if (do_mol_load_balance || do_react_load_balance) { + get_new_data(Work_Estimate_Type).setVal(1.0); + } + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(S_new, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + const amrex::Box& box = mfi.tilebox(); + auto sfab = S_new.array(mfi); + const auto geomdata = geom.data(); + + amrex::ParallelFor(box, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_initdata(i, j, k, sfab, geomdata); + // Verify that the sum of (rho Y)_i = rho at every cell + pc_check_initial_species(i, j, k, sfab); + }); + } + + enforce_consistent_e(S_new); + + // computeTemp(S_new,0); + +#ifdef PELEC_USE_EB + set_body_state(S_new); +#endif + +#ifdef AMREX_PARTICLES + if (level == 0) { + initParticles(); + } else { + // TODO: Determine how many ghost cells to use here + int nGrow = 0; + particleRedistribute(level - 1, nGrow, 0, false); + } +#endif + + if (verbose) { + amrex::Print() << "Done initializing level " << level << " data " + << std::endl; + } +} + +void +PeleC::init(AmrLevel& old) +{ + BL_PROFILE("PeleC::init(old)"); + + PeleC* oldlev = (PeleC*)&old; + + // + // Create new grid data by fillpatching from old. + // + amrex::Real dt_new = parent->dtLevel(level); + amrex::Real cur_time = oldlev->state[State_Type].curTime(); + amrex::Real prev_time = oldlev->state[State_Type].prevTime(); + amrex::Real dt_old = cur_time - prev_time; + setTimeLevel(cur_time, dt_old, dt_new); + + amrex::MultiFab& S_new = get_new_data(State_Type); + FillPatch(old, S_new, 0, cur_time, State_Type, 0, NVAR); + +#ifdef PELEC_USE_REACTIONS + amrex::MultiFab& React_new = get_new_data(Reactions_Type); + + if (do_react) { + FillPatch( + old, React_new, 0, cur_time, Reactions_Type, 0, React_new.nComp()); + } else { + React_new.setVal(0); + } +#endif + + if (do_mol_load_balance || do_react_load_balance) { + amrex::MultiFab& work_estimate_new = get_new_data(Work_Estimate_Type); + FillPatch( + old, work_estimate_new, 0, cur_time, Work_Estimate_Type, 0, + work_estimate_new.nComp()); + } +} + +void +PeleC::init() +{ + /** + This version inits the data on a new level that did not + exist before regridding. + */ + BL_PROFILE("PeleC::init()"); + + amrex::Real dt = parent->dtLevel(level); + amrex::Real cur_time = getLevel(level - 1).state[State_Type].curTime(); + amrex::Real prev_time = getLevel(level - 1).state[State_Type].prevTime(); + + amrex::Real dt_old = + (cur_time - prev_time) / (amrex::Real)parent->MaxRefRatio(level - 1); + + setTimeLevel(cur_time, dt_old, dt); + amrex::MultiFab& S_new = get_new_data(State_Type); + FillCoarsePatch(S_new, 0, cur_time, State_Type, 0, NVAR); + + if (do_mol_load_balance || do_react_load_balance) { + amrex::MultiFab& work_estimate_new = get_new_data(Work_Estimate_Type); + int ncomp = work_estimate_new.nComp(); + FillCoarsePatch( + work_estimate_new, 0, cur_time, Work_Estimate_Type, 0, ncomp); + } +} + +amrex::Real +PeleC::initialTimeStep() +{ + BL_PROFILE("PeleC::initialTimeStep()"); + + amrex::Real dummy_dt = 0.0; + amrex::Real init_dt = 0.0; + + if (initial_dt > 0.0) { + init_dt = initial_dt; + } else { + init_dt = init_shrink * estTimeStep(dummy_dt); + } + + return init_dt; +} + +amrex::Real +PeleC::estTimeStep(amrex::Real dt_old) +{ + BL_PROFILE("PeleC::estTimeStep()"); + + if (fixed_dt > 0.0) + return fixed_dt; + + // set_amr_info(level, -1, -1, -1.0, -1.0); + + amrex::Real estdt = max_dt; + + const amrex::MultiFab& stateMF = get_new_data(State_Type); + + const amrex::Real* dx = geom.CellSize(); + + std::string limiter = "pelec.max_dt"; + + // Start the hydro with the max_dt value, but divide by CFL + // to account for the fact that we multiply by it at the end. + // This ensures that if max_dt is more restrictive than the hydro + // criterion, we will get exactly max_dt for a timestep. + + amrex::Real estdt_hydro = max_dt / cfl; + amrex::Real estdt_vdif = max_dt / cfl; + amrex::Real estdt_tdif = max_dt / cfl; + amrex::Real estdt_edif = max_dt / cfl; + if (do_hydro || do_mol || diffuse_vel || diffuse_temp || diffuse_enth) { + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(stateMF.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + + prefetchToDevice(stateMF); // This should accelerate the below operations. + amrex::Real AMREX_D_DECL(dx1 = dx[0], dx2 = dx[1], dx3 = dx[2]); + + if (do_hydro) { + amrex::Real dt = amrex::ReduceMin( + stateMF, +#ifdef PELEC_USE_EB + flags, +#endif + 0, + [=] AMREX_GPU_HOST_DEVICE( + amrex::Box const& bx, const amrex::Array4& fab_arr +#ifdef PELEC_USE_EB + , + const amrex::Array4& flag_arr +#endif + ) noexcept -> amrex::Real { + return pc_estdt_hydro( + bx, fab_arr, +#ifdef PELEC_USE_EB + flag_arr, +#endif + AMREX_D_DECL(dx1, dx2, dx3)); + }); + estdt_hydro = amrex::min(estdt_hydro, dt); + } + + if (diffuse_vel) { + amrex::Real dt = amrex::ReduceMin( + stateMF, +#ifdef PELEC_USE_EB + flags, +#endif + 0, + [=] AMREX_GPU_HOST_DEVICE( + amrex::Box const& bx, const amrex::Array4& fab_arr +#ifdef PELEC_USE_EB + , + const amrex::Array4& flag_arr +#endif + ) noexcept -> amrex::Real { + return pc_estdt_veldif( + bx, fab_arr, +#ifdef PELEC_USE_EB + flag_arr, +#endif + AMREX_D_DECL(dx1, dx2, dx3)); + }); + estdt_vdif = amrex::min(estdt_vdif, dt); + } + + if (diffuse_temp) { + amrex::Real dt = amrex::ReduceMin( + stateMF, +#ifdef PELEC_USE_EB + flags, +#endif + 0, + [=] AMREX_GPU_HOST_DEVICE( + amrex::Box const& bx, const amrex::Array4& fab_arr +#ifdef PELEC_USE_EB + , + const amrex::Array4& flag_arr +#endif + ) noexcept -> amrex::Real { + return pc_estdt_tempdif( + bx, fab_arr, +#ifdef PELEC_USE_EB + flag_arr, +#endif + AMREX_D_DECL(dx1, dx2, dx3)); + }); + estdt_tdif = amrex::min(estdt_tdif, dt); + } + + if (diffuse_enth) { + amrex::Real dt = amrex::ReduceMin( + stateMF, +#ifdef PELEC_USE_EB + flags, +#endif + 0, + [=] AMREX_GPU_HOST_DEVICE( + amrex::Box const& bx, const amrex::Array4& fab_arr +#ifdef PELEC_USE_EB + , + const amrex::Array4& flag_arr +#endif + ) noexcept -> amrex::Real { + return pc_estdt_enthdif( + bx, fab_arr, +#ifdef PELEC_USE_EB + flag_arr, +#endif + AMREX_D_DECL(dx1, dx2, dx3)); + }); + estdt_edif = amrex::min(estdt_edif, dt); + } + + estdt_hydro = amrex::min( + estdt_hydro, amrex::min(estdt_vdif, amrex::min(estdt_tdif, estdt_edif))); + + amrex::ParallelDescriptor::ReduceRealMin(estdt_hydro); + estdt_hydro *= cfl; + + if (verbose) { + amrex::Print() << "...estimated hydro-limited timestep at level " << level + << ": " << estdt_hydro << std::endl; + } + + // Determine if this is more restrictive than the maximum timestep limiting + if (estdt_hydro < estdt) { + limiter = "hydro"; + estdt = estdt_hydro; + } + } + +#ifdef AMREX_PARTICLES + amrex::Real estdt_particle = max_dt; + if (do_spray_particles) { + particleEstTimeStep(estdt_particle); + if (estdt_particle < estdt) { + limiter = "particles"; + estdt = estdt_particle; + } + } +#endif + + if (verbose) { + amrex::Print() << "PeleC::estTimeStep (" << limiter << "-limited) at level " + << level << ": estdt = " << estdt << '\n'; + } + + return estdt; +} + +void +PeleC::computeNewDt( + int finest_level, + int sub_cycle, + amrex::Vector& n_cycle, + const amrex::Vector& ref_ratio, + amrex::Vector& dt_min, + amrex::Vector& dt_level, + amrex::Real stop_time, + int post_regrid_flag) +{ + BL_PROFILE("PeleC::computeNewDt()"); + + // + // We are at the start of a coarse grid timecycle. + // Compute the timesteps for the next iteration. + // + if (level > 0) + return; + + amrex::Real dt_0 = 1.0e+100; + int n_factor = 1; + for (int i = 0; i <= finest_level; i++) { + PeleC& adv_level = getLevel(i); + dt_min[i] = adv_level.estTimeStep(dt_level[i]); + } + + if (fixed_dt <= 0.0) { + if (post_regrid_flag == 1) { + // Limit dt's by pre-regrid dt + for (int i = 0; i <= finest_level; i++) { + dt_min[i] = amrex::min(dt_min[i], dt_level[i]); + } + } else { + // Limit dt's by change_max * old dt + for (int i = 0; i <= finest_level; i++) { + if (verbose && amrex::ParallelDescriptor::IOProcessor()) { + if (dt_min[i] > change_max * dt_level[i]) { + amrex::Print() << "PeleC::compute_new_dt : limiting dt at level " + << i << '\n'; + amrex::Print() << " ... new dt computed: " << dt_min[i] << '\n'; + amrex::Print() << " ... but limiting to: " + << change_max * dt_level[i] << " = " << change_max + << " * " << dt_level[i] << '\n'; + } + } + dt_min[i] = amrex::min(dt_min[i], change_max * dt_level[i]); + } + } + } + + // Find the minimum over all levels + for (int i = 0; i <= finest_level; i++) { + n_factor *= n_cycle[i]; + dt_0 = amrex::min(dt_0, n_factor * dt_min[i]); + } + + // Limit dt's by the value of stop_time. + const amrex::Real dt_eps = 0.001 * dt_0; + amrex::Real cur_time = state[State_Type].curTime(); + if (stop_time >= 0.0) { + if ((cur_time + dt_0) > (stop_time - dt_eps)) { + dt_0 = stop_time - cur_time; + } + } + + n_factor = 1; + for (int i = 0; i <= finest_level; i++) { + n_factor *= n_cycle[i]; + dt_level[i] = dt_0 / n_factor; + } +} + +void +PeleC::computeInitialDt( + int finest_level, + int sub_cycle, + amrex::Vector& n_cycle, + const amrex::Vector& ref_ratio, + amrex::Vector& dt_level, + amrex::Real stop_time) +{ + BL_PROFILE("PeleC::computeInitialDt()"); + + // Grids have been constructed, compute dt for all levels. + if (level > 0) + return; + + amrex::Real dt_0 = 1.0e+100; + int n_factor = 1; + /// TODO/DEBUG: This will need to change for optimal subcycling. + for (int i = 0; i <= finest_level; i++) { + dt_level[i] = getLevel(i).initialTimeStep(); + n_factor *= n_cycle[i]; + dt_0 = amrex::min(dt_0, n_factor * dt_level[i]); + } + + // Limit dt's by the value of stop_time. + const amrex::Real dt_eps = 0.001 * dt_0; + amrex::Real cur_time = state[State_Type].curTime(); + if (stop_time >= 0.0) { + if ((cur_time + dt_0) > (stop_time - dt_eps)) { + dt_0 = stop_time - cur_time; + } + } + + n_factor = 1; + for (int i = 0; i <= finest_level; i++) { + n_factor *= n_cycle[i]; + dt_level[i] = dt_0 / n_factor; + } +} + +void +PeleC::post_timestep(int iteration) +{ + BL_PROFILE("PeleC::post_timestep()"); + + const int finest_level = parent->finestLevel(); + const int ncycle = parent->nCycle(level); + +#ifdef AMREX_PARTICLES + if (do_spray_particles) { + // + // Remove virtual particles at this level if we have any. + // + if (theVirtPC() != 0) + removeVirtualParticles(); + + // + // Remove Ghost particles on the final iteration + // + if (iteration == ncycle) + removeGhostParticles(); + + // + // Sync up if we're level 0 or if we have particles that may have moved + // off the next finest level and need to be added to our own level. + // + if ((iteration < ncycle and level < finest_level) || level == 0) { + // TODO: Determine how many ghost cells to use here + int nGrow = iteration; + theSprayPC()->Redistribute(level, theSprayPC()->finestLevel(), nGrow); + } + } +#endif + + if (do_reflux && level < finest_level) { + reflux(); + + // We need to do this before anything else because refluxing changes the + // values of coarse cells + // underneath fine grids with the assumption they'll be over-written by + // averaging down + if (level < finest_level) { + avgDown(); + } + + // Clean up any aberrant state data generated by the reflux. + amrex::MultiFab& S_new_crse = get_new_data(State_Type); + // clean_state(S_new_crse); + } + + // Re-compute temperature after all the other updates. + amrex::MultiFab& S_new = get_new_data(State_Type); + int ng_pts = 0; + computeTemp(S_new, ng_pts); + +#ifdef DO_PROBLEM_POST_TIMESTEP + + problem_post_timestep(); + +#endif + + if (level == 0) { + int nstep = parent->levelSteps(0); + amrex::Real dtlev = parent->dtLevel(0); + amrex::Real cumtime = parent->cumTime() + dtlev; + + bool sum_int_test = (sum_interval > 0 && nstep % sum_interval == 0); + + bool sum_per_test = false; + + if (sum_per > 0.0) { + const int num_per_old = amrex::Math::floor((cumtime - dtlev) / sum_per); + const int num_per_new = amrex::Math::floor((cumtime) / sum_per); + + if (num_per_old != num_per_new) { + sum_per_test = true; + } + } + + if (sum_int_test || sum_per_test) { + sum_integrated_quantities(); + } + } +} + +void +PeleC::post_restart() +{ + BL_PROFILE("PeleC::post_restart()"); + + amrex::Real cur_time = state[State_Type].curTime(); + +#ifdef AMREX_PARTICLES + if (do_spray_particles) { + particlePostRestart(parent->theRestartFile()); + } +#endif + + // Don't need this in pure C++? + // initialize the Godunov state array used in hydro -- we wait + // until here so that ngroups is defined (if needed) in + // rad_params_module + // if (do_hydro) + //{ + // init_godunov_indices(); + //} + + // initialize LES variables + if (do_les) { + init_les(); + } + + // initialize filters and variables + nGrowF = 0; + if (use_explicit_filter) { + init_filters(); + } + +#ifdef DO_PROBLEM_POST_RESTART + problem_post_restart(); +#endif +} + +void +PeleC::postCoarseTimeStep(amrex::Real cumtime) +{ + BL_PROFILE("PeleC::postCoarseTimeStep()"); + AmrLevel::postCoarseTimeStep(cumtime); +} + +void +PeleC::post_regrid(int lbase, int new_finest) +{ + BL_PROFILE("PeleC::post_regrid()"); + fine_mask.clear(); + +#ifdef AMREX_PARTICLES + if (do_spray_particles && theSprayPC() != 0 && level == lbase) { + // TODO: Determine how many ghost cells to use here + int nGrow = 0; + particleRedistribute(lbase); + } +#endif +} + +void +PeleC::post_init(amrex::Real stop_time) +{ + BL_PROFILE("PeleC::post_init()"); + + amrex::Real dtlev = parent->dtLevel(level); + amrex::Real cumtime = parent->cumTime(); + + // Fill Reactions_Type data based on initial dt +#ifdef PELEC_USE_REACTIONS + if (do_react == 1) { + bool react_init = true; + react_state(cumtime, dtlev, react_init); + } +#endif + + if (level > 0) + return; + + // + // Average data down from finer levels + // so that conserved data is consistent between levels. + // + if (do_avg_down != 0) { + int finest_level = parent->finestLevel(); + for (int k = finest_level - 1; k >= 0; k--) { + getLevel(k).avgDown(); + } + } + +#ifdef DO_PROBLEM_POST_INIT + // + // Allow the user to define their own post_init functions. + // + problem_post_init(); +#endif + + int nstep = parent->levelSteps(0); + if (cumtime != 0.0) + cumtime += dtlev; + + bool sum_int_test = false; + + if (sum_interval > 0) { + if (nstep % sum_interval == 0) { + sum_int_test = true; + } + } + + bool sum_per_test = false; + + if (sum_per > 0.0) { + const int num_per_old = amrex::Math::floor((cumtime - dtlev) / sum_per); + const int num_per_new = amrex::Math::floor((cumtime) / sum_per); + + if (num_per_old != num_per_new) { + sum_per_test = true; + } + } + + if (sum_int_test || sum_per_test) { + sum_integrated_quantities(); + } +} + +int +PeleC::okToContinue() +{ + if (level > 0) { + return 1; + } + + int test = 1; + + if (signalStopJob) { + test = 0; + + amrex::Print() + << " Signalling a stop of the run due to signalStopJob = true." + << std::endl; + } else if (parent->dtLevel(0) < dt_cutoff) { + test = 0; + + amrex::Print() << " Signalling a stop of the run because dt < dt_cutoff." + << std::endl; + } + + return test; +} + +void +PeleC::reflux() +{ + BL_PROFILE("PeleC::reflux()"); + + AMREX_ASSERT(level < parent->finestLevel()); + + const amrex::Real strt = amrex::ParallelDescriptor::second(); + + PeleC& fine_level = getLevel(level + 1); + amrex::MultiFab& S_crse = get_new_data(State_Type); + +#ifdef PELEC_USE_EB + + amrex::MultiFab& S_fine = fine_level.get_new_data(State_Type); + + fine_level.flux_reg.Reflux(S_crse, vfrac, S_fine, fine_level.vfrac); + + if (!amrex::DefaultGeometry().IsCartesian()) { + amrex::Abort("rz not yet compatible with EB"); + } + +#else + + fine_level.flux_reg.Reflux(S_crse); + + if (!amrex::DefaultGeometry().IsCartesian()) { + amrex::MultiFab dr( + volume.boxArray(), volume.DistributionMap(), 1, volume.nGrow(), + amrex::MFInfo(), amrex::FArrayBoxFactory()); + dr.setVal(geom.CellSize(0)); + amrex::Abort("PeleC reflux not yet ready for r-z"); + // fine_level.pres_reg.Reflux(S_crse,dr,1.0,0,Xmom,1,geom); + } +#endif + + if (verbose) { + const int IOProc = amrex::ParallelDescriptor::IOProcessorNumber(); + amrex::Real end = amrex::ParallelDescriptor::second() - strt; + +#ifdef AMREX_LAZY + Lazy::QueueReduction([=]() mutable { +#endif + amrex::ParallelDescriptor::ReduceRealMax(end, IOProc); + + amrex::Print() << "PeleC::reflux() at level " << level + << " : time = " << end << std::endl; +#ifdef AMREX_LAZY + }); +#endif + } +} + +void +PeleC::avgDown() +{ + BL_PROFILE("PeleC::avgDown()"); + + if (level == parent->finestLevel()) + return; + + avgDown(State_Type); + +#ifdef PELEC_USE_REACTIONS + avgDown(Reactions_Type); +#endif +} + +void +PeleC::normalize_species(amrex::MultiFab& S) +{ + amrex::Abort("We don't normalize species!"); +} + +void +PeleC::enforce_consistent_e(amrex::MultiFab& S) +{ +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(S, amrex::TilingIfNotGPU()); mfi.isValid(); ++mfi) { + const amrex::Box& tbox = mfi.tilebox(); + const auto Sfab = S.array(mfi); + amrex::ParallelFor( + tbox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + const amrex::Real rhoInv = 1.0 / Sfab(i, j, k, URHO); + const amrex::Real u = Sfab(i, j, k, UMX) * rhoInv; + const amrex::Real v = Sfab(i, j, k, UMY) * rhoInv; + const amrex::Real w = Sfab(i, j, k, UMZ) * rhoInv; + Sfab(i, j, k, UEDEN) = Sfab(i, j, k, UEINT) + 0.5 * + Sfab(i, j, k, URHO) * + (u * u + v * v + w * w); + }); + } +} + +amrex::Real +PeleC::enforce_min_density(amrex::MultiFab& S_old, amrex::MultiFab& S_new) +{ + + /** This routine sets the density in S_new to be larger than the density + floor. Note that it will operate everywhere on S_new, including ghost + zones. S_old is present so that, after the hydro call, we know what the old + density was so that we have a reference for comparison. If you are calling + it elsewhere and there's no meaningful reference state, just pass in the + same amrex::MultiFab twice. + @return The return value is the the negative fractional change in the + state that has the largest magnitude. If there is no reference state, this + is meaningless. + */ + + amrex::Real dens_change = 1.0; + + amrex::Real mass_added = 0.0; + amrex::Real eint_added = 0.0; + amrex::Real eden_added = 0.0; + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(S_new.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) \ + reduction(min \ + : dens_change) +#endif + for (amrex::MFIter mfi(S_new, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + + const amrex::Box& bx = mfi.growntilebox(); + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(bx); + if (typ == amrex::FabType::covered) { + continue; + } +#endif + + const auto& stateold = S_old[mfi]; + auto& statenew = S_new[mfi]; + const auto& vol = volume[mfi]; + + // Not enabled in CUDA + // enforce_minimum_density(stateold.dataPtr(), ARLIM_3D(stateold.loVect()), + // ARLIM_3D(stateold.hiVect()), + // statenew.dataPtr(), ARLIM_3D(statenew.loVect()), + // ARLIM_3D(statenew.hiVect()), vol.dataPtr(), + // ARLIM_3D(vol.loVect()), ARLIM_3D(vol.hiVect()), + // ARLIM_3D(bx.loVect()), ARLIM_3D(bx.hiVect()), + // &mass_added, &eint_added, &eden_added, + // &dens_change, &verbose); + } + + if (print_energy_diagnostics) { + amrex::Real foo[3] = {mass_added, eint_added, eden_added}; + +#ifdef AMREX_LAZY + Lazy::QueueReduction([=]() mutable { +#endif + amrex::ParallelDescriptor::ReduceRealSum( + foo, 3, amrex::ParallelDescriptor::IOProcessorNumber()); + + if (amrex::ParallelDescriptor::IOProcessor()) { + mass_added = foo[0]; + eint_added = foo[1]; + eden_added = foo[2]; + + if (amrex::Math::abs(mass_added) != 0.0) { + amrex::Print() << " Mass added from negative density correction : " + << mass_added << std::endl; + amrex::Print() << "(rho e) added from negative density correction : " + << eint_added << std::endl; + amrex::Print() << "(rho E) added from negative density correction : " + << eden_added << std::endl; + } + } +#ifdef AMREX_LAZY + }); +#endif + } + + return dens_change; +} + +void +PeleC::avgDown(int state_indx) +{ + BL_PROFILE("PeleC::avgDown(state_indx)"); + + if (level == parent->finestLevel()) + return; + + amrex::MultiFab& S_crse = get_new_data(state_indx); + amrex::MultiFab& S_fine = getLevel(level + 1).get_new_data(state_indx); + +#ifdef PELEC_USE_EB + PeleC& fine_lev = getLevel(level + 1); + + amrex::EB_average_down( + S_fine, S_crse, fine_lev.Volume(), fine_lev.volFrac(), 0, S_fine.nComp(), + fine_ratio); + + if (state_indx == State_Type) { + set_body_state(S_crse); // TODO: Is this necessary? + } +#else + + const amrex::Geometry& fgeom = getLevel(level + 1).geom; + const amrex::Geometry& cgeom = geom; + + amrex::average_down( + S_fine, S_crse, fgeom, cgeom, 0, S_fine.nComp(), fine_ratio); + +#endif +} + +void +PeleC::allocOldData() +{ + for (int k = 0; k < num_state_type; k++) { + state[k].allocOldData(); + } +} + +void +PeleC::removeOldData() +{ + AmrLevel::removeOldData(); +} + +void +PeleC::errorEst( + amrex::TagBoxArray& tags, + int /*clearval*/, + int /*tagval*/, + amrex::Real time, + int n_error_buf, + int ngrow) +{ + BL_PROFILE("PeleC::errorEst()"); + + amrex::MultiFab S_data( + get_new_data(State_Type).boxArray(), + get_new_data(State_Type).DistributionMap(), NVAR, 1); + const amrex::Real cur_time = state[State_Type].curTime(); + FillPatch( + *this, S_data, S_data.nGrow(), cur_time, State_Type, Density, NVAR, 0); + + amrex::Vector bcs(NVAR); + const char tagval = amrex::TagBox::SET; + const char clearval = amrex::TagBox::CLEAR; + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + { + for (amrex::MFIter mfi(S_data, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + const amrex::Box& tilebox = mfi.tilebox(); + const auto Sfab = S_data.array(mfi); + auto tag_arr = tags.array(mfi); + const auto datbox = S_data[mfi].box(); + amrex::Elixir S_data_mfi_eli = S_data[mfi].elixir(); + +#ifdef PELEC_USE_EB + const auto vfrac_arr = vfrac.array(mfi); +#endif + + amrex::FArrayBox S_derData(datbox, 1); + amrex::Elixir S_derData_eli = S_derData.elixir(); + auto S_derarr = S_derData.array(); + const int ncp = S_derData.nComp(); + const int* bc = bcs[0].data(); + + // Tagging density + if (level < TaggingParm::max_denerr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error(i, j, k, tag_arr, Sfab, TaggingParm::denerr, tagval); + }); + } + if (level < TaggingParm::max_dengrad_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_graderror(i, j, k, tag_arr, Sfab, TaggingParm::dengrad, tagval); + }); + } + + // Tagging pressure + S_derData.setVal(0.0); + pc_derpres( + datbox, S_derData, ncp, Sfab.nComp(), S_data[mfi], geom, time, bc, + level); + if (level < TaggingParm::max_presserr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error( + i, j, k, tag_arr, S_derarr, TaggingParm::presserr, tagval); + }); + } + if (level < TaggingParm::max_pressgrad_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_graderror( + i, j, k, tag_arr, S_derarr, TaggingParm::pressgrad, tagval); + }); + } + + // Tagging vel_x + S_derData.setVal(0.0); + pc_dervelx( + datbox, S_derData, ncp, Sfab.nComp(), S_data[mfi], geom, time, bc, + level); + if (level < TaggingParm::max_velerr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error(i, j, k, tag_arr, S_derarr, TaggingParm::velerr, tagval); + }); + } + if (level < TaggingParm::max_velgrad_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_graderror( + i, j, k, tag_arr, S_derarr, TaggingParm::velgrad, tagval); + }); + } + + // Tagging vel_y + S_derData.setVal(0.0); + pc_dervely( + datbox, S_derData, ncp, Sfab.nComp(), S_data[mfi], geom, time, bc, + level); + if (level < TaggingParm::max_velerr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error(i, j, k, tag_arr, S_derarr, TaggingParm::velerr, tagval); + }); + } + if (level < TaggingParm::max_velgrad_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_graderror( + i, j, k, tag_arr, S_derarr, TaggingParm::velgrad, tagval); + }); + } + + // Tagging vel_z + S_derData.setVal(0.0); + pc_dervelz( + datbox, S_derData, ncp, Sfab.nComp(), S_data[mfi], geom, time, bc, + level); + if (level < TaggingParm::max_velerr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error(i, j, k, tag_arr, S_derarr, TaggingParm::velerr, tagval); + }); + } + if (level < TaggingParm::max_velgrad_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_graderror( + i, j, k, tag_arr, S_derarr, TaggingParm::velgrad, tagval); + }); + } + + // Tagging magnitude of vorticity + S_derData.setVal(0.0); + pc_dermagvort( + tilebox, S_derData, ncp, Sfab.nComp(), S_data[mfi], geom, time, bc, + level); + if (level < TaggingParm::max_vorterr_lev) { + const amrex::Real vorterr = TaggingParm::vorterr * std::pow(2.0, level); + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_abserror(i, j, k, tag_arr, S_derarr, vorterr, tagval); + }); + } + + // Tagging temperature + S_derData.setVal(0.0); + pc_dertemp( + datbox, S_derData, ncp, Sfab.nComp(), S_data[mfi], geom, time, bc, + level); + if (level < TaggingParm::max_temperr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error(i, j, k, tag_arr, S_derarr, TaggingParm::temperr, tagval); + }); + } + if (level < TaggingParm::max_tempgrad_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_graderror( + i, j, k, tag_arr, S_derarr, TaggingParm::tempgrad, tagval); + }); + } + + // Tagging flame tracer + if (!flame_trac_name.empty()) { + int idx = -1; + for (int i = 0; i < spec_names.size(); ++i) { + if (flame_trac_name == spec_names[i]) { + idx = i; + } + } + + if (idx >= 0) { + // const std::string name = "Y("+flame_trac_name+")"; + // if (amrex::ParallelDescriptor::IOProcessor()) + // amrex::Print() << " Flame tracer will be " << name << '\n'; + + S_derData.setVal(0.0); + pc_derspectrac( + datbox, S_derData, ncp, Sfab.nComp(), S_data[mfi], geom, time, bc, + level, idx); + + if (level < TaggingParm::max_ftracerr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error( + i, j, k, tag_arr, S_derarr, TaggingParm::ftracerr, tagval); + }); + } + if (level < TaggingParm::max_ftracgrad_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_graderror( + i, j, k, tag_arr, S_derarr, TaggingParm::ftracgrad, tagval); + }); + } + + } else { + amrex::Abort("Unknown species identified as flame_trac_name"); + } + } + +#ifdef PELEC_USE_EB + // Tagging volume fraction + if (level < TaggingParm::max_vfracerr_lev) { + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + tag_error_bounds(i, j, k, tag_arr, vfrac_arr, 0.0, 1.0, tagval); + }); + } +#endif + + // Problem specific tagging + const amrex::GpuArray dx = + geom.CellSizeArray(); + const amrex::GpuArray prob_lo = + geom.ProbLoArray(); + amrex::ParallelFor( + tilebox, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + set_problem_tags( + i, j, k, tag_arr, Sfab, tagval, dx, prob_lo, time, level); + }); + + // Now update the tags in the TagBox. + // tag_arr.tags(itags, tilebox); + // rho_eli.clear(); + // temp_eli.clear(); + } + } +} + +std::unique_ptr +PeleC::derive(const std::string& name, amrex::Real time, int ngrow) +{ + + if ((do_les) && (name == "C_s2")) { + std::unique_ptr derive_dat( + new amrex::MultiFab(grids, dmap, 1, 0)); + amrex::MultiFab::Copy(*derive_dat, LES_Coeffs, comp_Cs2, 0, 1, 0); + return derive_dat; + } else if ((do_les) && (name == "C_I")) { + std::unique_ptr derive_dat( + new amrex::MultiFab(grids, dmap, 1, 0)); + amrex::MultiFab::Copy(*derive_dat, LES_Coeffs, comp_CI, 0, 1, 0); + return derive_dat; + } else if ((do_les) && (les_model != 1) && (name == "Pr_T")) { + std::unique_ptr derive_dat( + new amrex::MultiFab(grids, dmap, 1, 0)); + amrex::MultiFab::Copy(*derive_dat, LES_Coeffs, comp_PrT, 0, 1, 0); + return derive_dat; + } else if ((do_les) && (les_model == 1) && (name == "Pr_T")) { + std::unique_ptr derive_dat( + new amrex::MultiFab(grids, dmap, 1, 0)); + amrex::MultiFab::Copy(*derive_dat, LES_Coeffs, comp_Cs2ovPrT, 0, 1, 0); + amrex::MultiFab::Divide(*derive_dat, LES_Coeffs, comp_Cs2, 0, 1, 0); + return derive_dat; + } + +#ifdef PELEC_USE_EB + if (name == "vfrac") { + std::unique_ptr mf( + new amrex::MultiFab(grids, dmap, 1, ngrow, amrex::MFInfo())); + if (ngrow > 0) { + mf->setBndry(0); + } + amrex::MultiFab::Copy(*mf, vfrac, 0, 0, 1, 0); + return mf; + } +#endif + +#ifdef AMREX_PARTICLES + return particleDerive(name, time, ngrow); +#else + return AmrLevel::derive(name, time, ngrow); +#endif +} + +void +PeleC::derive( + const std::string& name, amrex::Real time, amrex::MultiFab& mf, int dcomp) +{ +#ifdef PELEC_USE_EB + if (name == "vfrac") { + amrex::MultiFab::Copy(mf, vfrac, 0, dcomp, 1, 0); + } else +#endif + { + AmrLevel::derive(name, time, mf, dcomp); + } +} + +void +PeleC::init_network() +{ + // pc_network_init(); + //__network_MOD_network_init(); +} + +void +PeleC::close_network() +{ + // pc_network_close(); + //__network_MOD_network_close(); +} + +void +PeleC::clear_prob() +{ + pc_prob_close(); +} + +void +PeleC::init_extern() +{ + // initialize the external runtime parameters -- these will + // live in the probin + + amrex::Print() << "reading extern runtime parameters ..." << std::endl; + + // Disabled for CUDA + // pc_extern_init(); +} + +#ifdef PELEC_USE_REACTIONS +void +PeleC::init_reactor() +{ + CKINIT(); + +#ifdef USE_SUNDIALS_PP + int reactor_type = 1; + int ode_ncells = 1; +#ifndef USE_CUDA_SUNDIALS_PP +#ifdef _OPENMP +#pragma omp parallel +#endif + { + reactor_init(&reactor_type, &ode_ncells); + } +#else + reactor_info(&reactor_type, &ode_ncells); +#endif +#endif +} + +void +PeleC::close_reactor() +{ + CKFINALIZE(); +} +#endif + +void +PeleC::init_eos() +{ + EOS::init(); +} + +void +PeleC::init_transport() +{ + transport_init(); +} + +void +PeleC::close_transport() +{ + transport_close(); +} + +void +PeleC::init_les() +{ + // Fill with default coefficient values + LES_Coeffs.define(grids, dmap, nCompC, 1); + LES_Coeffs.setVal(0.0); + LES_Coeffs.setVal(Cs * Cs, comp_Cs2, 1, LES_Coeffs.nGrow()); + LES_Coeffs.setVal(CI, comp_CI, 1, LES_Coeffs.nGrow()); + if (les_model == 1) { + LES_Coeffs.setVal(Cs * Cs * PrT, comp_Cs2ovPrT, 1, LES_Coeffs.nGrow()); + } else { + LES_Coeffs.setVal(PrT, comp_PrT, 1, LES_Coeffs.nGrow()); + } + + amrex::Print() << "WARNING: LES with Fuego assumes Cp is a weak function of T" + << std::endl; + if (NUM_SPECIES > 2) { + amrex::Abort("LES is not supported for multi-component systems"); + } else if (NUM_SPECIES == 2) { + amrex::Print() + << "WARNING: LES is not supported for multi-component systems" + << std::endl; + } +} + +void +PeleC::init_filters() +{ + if (level > 0) { + amrex::IntVect ref_ratio = parent->refRatio(level - 1); + les_filter = + Filter(les_filter_type, les_filter_fgr * std::pow(ref_ratio[0], level)); + } else { + les_filter = Filter(les_filter_type, les_filter_fgr); + } + + nGrowF = les_filter.get_filter_ngrow(); + + // Add grow cells necessary for explicit filtering of source terms + if (do_hydro) { + Sborder.define( + grids, dmap, NVAR, Sborder.nGrow() + nGrowF, amrex::MFInfo(), Factory()); + hydro_source.define( + grids, dmap, NVAR, hydro_source.nGrow() + nGrowF, amrex::MFInfo(), + Factory()); + sources_for_hydro.define( + grids, dmap, NVAR, sources_for_hydro.nGrow() + nGrowF, amrex::MFInfo(), + Factory()); + } + + volume.clear(); + volume.define( + grids, dmap, 1, NUM_GROW + nGrowF, amrex::MFInfo(), + amrex::FArrayBoxFactory()); + geom.GetVolume(volume); + + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + area[dir].clear(); + area[dir].define( + getEdgeBoxArray(dir), dmap, 1, NUM_GROW + nGrowF, amrex::MFInfo(), + amrex::FArrayBoxFactory()); + geom.GetFaceArea(area[dir], dir); + } +} +#ifdef PELEC_USE_MASA +void +PeleC::init_mms() +{ + if (!mms_initialized) { + if (verbose && amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "Initializing MMS" << std::endl; + } +#ifdef PELEC_USE_MASA + masa_init("mms", masa_solution_name.c_str()); + masa_set_param("Cs", PeleC::Cs); + masa_set_param("CI", PeleC::CI); + masa_set_param("PrT", PeleC::PrT); +#endif + mms_initialized = true; + } +} +#endif + +void +PeleC::reset_internal_energy(amrex::MultiFab& S_new, int ng) +{ +#ifndef AMREX_USE_GPU + amrex::Real sum = 0.; + amrex::Real sum0 = 0.; + if (parent->finestLevel() == 0 && print_energy_diagnostics) { + // Pass in the multifab and the component + sum0 = volWgtSumMF(S_new, Eden, true); + } +#endif + // Ensure (rho e) isn't too small or negative +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(S_new, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + const amrex::Box& bx = mfi.growntilebox(ng); + const auto& sarr = S_new.array(mfi); + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_rst_int_e(i, j, k, sarr); + }); + } + +#ifndef AMREX_USE_GPU + if (parent->finestLevel() == 0 && print_energy_diagnostics) { + // Pass in the multifab and the component + sum = volWgtSumMF(S_new, Eden, true); +#ifdef AMREX_LAZY + Lazy::QueueReduction([=]() mutable { +#endif + amrex::ParallelDescriptor::ReduceRealSum(sum0); + amrex::ParallelDescriptor::ReduceRealSum(sum); + if ( + amrex::ParallelDescriptor::IOProcessor() && + amrex::Math::abs(sum - sum0) > 0) + amrex::Print() << "(rho E) added from reset terms : " + << sum - sum0 << " out of " << sum0 << std::endl; +#ifdef AMREX_LAZY + }); +#endif + } +#endif +} + +void +PeleC::computeTemp(amrex::MultiFab& S, int ng) +{ + reset_internal_energy(S, ng); + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(S.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(S, amrex::TilingIfNotGPU()); mfi.isValid(); ++mfi) { + const amrex::Box& bx = mfi.growntilebox(ng); + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(bx); + if (typ == amrex::FabType::covered) { + continue; + } +#endif + + const auto& sarr = S.array(mfi); + amrex::ParallelFor(bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_cmpTemp(i, j, k, sarr); + }); + } +} + +amrex::Real +PeleC::getCPUTime() +{ + int numCores = amrex::ParallelDescriptor::NProcs(); +#ifdef _OPENMP + numCores = numCores * omp_get_max_threads(); +#endif + + amrex::Real T = + numCores * (amrex::ParallelDescriptor::second() - startCPUTime) + + previousCPUTimeUsed; + + return T; +} + +amrex::MultiFab& +PeleC::build_fine_mask() +{ + // Mask for zeroing covered cells + AMREX_ASSERT(level > 0); + + if (!fine_mask.empty()) + return fine_mask; + + const amrex::BoxArray& cba = parent->boxArray(level - 1); + const amrex::DistributionMapping& cdm = parent->DistributionMap(level - 1); + + fine_mask.define(cba, cdm, 1, 0, amrex::MFInfo(), amrex::FArrayBoxFactory()); + fine_mask.setVal(1.0); + + amrex::BoxArray fba = parent->boxArray(level); + amrex::iMultiFab ifine_mask = makeFineMask(cba, cdm, fba, crse_ratio, 1, 0); + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + for (amrex::MFIter mfi(fine_mask, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + auto& fab = fine_mask[mfi]; + auto& ifab = ifine_mask[mfi]; + const auto arr = fab.array(); + const auto iarr = ifab.array(); + amrex::ParallelFor( + fab.box(), [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { +#ifdef _OPENMP +#pragma omp atomic write +#endif + arr(i, j, k) = iarr(i, j, k); + }); + } + + return fine_mask; +} + +const amrex::iMultiFab* +PeleC::build_interior_boundary_mask(int ng) +{ + for (int i = 0; i < ib_mask.size(); ++i) { + if (ib_mask[i]->nGrow() == ng) { + return ib_mask[i].get(); + } + } + + // If we got here, we need to build a new one + if (ib_mask.size() == 0) { + ib_mask.resize(0); + } + + ib_mask.push_back(std::unique_ptr(new amrex::iMultiFab( + grids, dmap, 1, ng, amrex::MFInfo(), + amrex::DefaultFabFactory()))); + + amrex::iMultiFab* imf = ib_mask.back().get(); + int ghost_covered_by_valid = 0; + int other_cells = + 1; // uncovered ghost, valid, and outside domain cells are set to 1 + + imf->BuildMask( + geom.Domain(), geom.periodicity(), ghost_covered_by_valid, other_cells, + other_cells, other_cells); + + return imf; +} + +amrex::Real +PeleC::clean_state(amrex::MultiFab& S) +{ + // Enforce a minimum density. + + amrex::MultiFab temp_state( + S.boxArray(), S.DistributionMap(), S.nComp(), S.nGrow(), amrex::MFInfo(), + Factory()); + + amrex::MultiFab::Copy(temp_state, S, 0, 0, S.nComp(), S.nGrow()); + + amrex::Real frac_change_t = enforce_min_density(temp_state, S); + + // normalize_species(S); + + return frac_change_t; +} + +amrex::Real +PeleC::clean_state(amrex::MultiFab& S, amrex::MultiFab& S_old) +{ + // Enforce a minimum density. + + amrex::Real frac_change_t = enforce_min_density(S_old, S); + + // normalize_species(S); + + return frac_change_t; +} diff --git a/SourceCpp/Problem.H b/SourceCpp/Problem.H new file mode 100644 index 000000000..cc0ea23ee --- /dev/null +++ b/SourceCpp/Problem.H @@ -0,0 +1,18 @@ +//#ifndef _PROBLEM_H_ +//#define _PROBLEM_H_ + +/* problem-specific PeleC:: declarations go here */ + +#ifdef DO_PROBLEM_POST_TIMESTEP +void problem_post_timestep(); +#endif + +#ifdef DO_PROBLEM_POST_RESTART +void problem_post_restart(); +#endif + +#ifdef DO_PROBLEM_POST_INIT +void problem_post_init(); +#endif + +//#endif diff --git a/SourceCpp/ProblemDerive.H b/SourceCpp/ProblemDerive.H new file mode 100644 index 000000000..36a6d4b7f --- /dev/null +++ b/SourceCpp/ProblemDerive.H @@ -0,0 +1,49 @@ +// Problem-specific derives +#ifndef _PROBLEMDERIVE_H_ +#define _PROBLEMDERIVE_H_ + +#include +#include + +#include "PeleC.H" +#include "IndexDefines.H" + +struct EmptyProbDeriveStruct +{ + static void + add(amrex::DeriveList& derive_lst, amrex::DescriptorList& desc_lst) + { + // Add derives as follows and define the derive function below: + // derive_lst.add( + // "varname", amrex::IndexType::TheCellType(), 1, pc_varname, + // the_same_box); + // derive_lst.addComponent("varname", desc_lst, State_Type, 0, NVAR); + } + + static void pc_varname( + const amrex::Box& bx, + amrex::FArrayBox& derfab, + int dcomp, + int /*ncomp*/, + const amrex::FArrayBox& datfab, + const amrex::Geometry& geomdata, + amrex::Real /*time*/, + const int* /*bcrec*/, + int level) + { + auto const dat = datfab.array(); + auto arr = derfab.array(); + // amrex::ParallelFor( + // bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + // do something with arr + // }); + } +}; + +template +void +add_problem_derives(Args&&... args) +{ + ProbDeriveStruct::add(std::forward(args)...); +} +#endif diff --git a/SourceCpp/React.H b/SourceCpp/React.H new file mode 100644 index 000000000..3ab704e5f --- /dev/null +++ b/SourceCpp/React.H @@ -0,0 +1,274 @@ +#ifndef _REACT_H_ +#define _REACT_H_ + +#include + +#include + +#include "IndexDefines.H" +#include "EOS.H" + +#ifndef AMREX_USE_GPU +const amrex::Real alpha_rk64[6] = { + 0.218150805229859, // 3296351145737.0/15110423921029.0, + 0.256702469801519, // 1879360555526.0/ 7321162733569.0, + 0.527402592007520, // 10797097731880.0/20472212111779.0, + 0.0484864267224467, // 754636544611.0/15563872110659.0, + 1.24517071533530, // 3260218886217.0/ 2618290685819.0, + 0.412366034843237, // 5069185909380.0/12292927838509.0 +}; + +const amrex::Real beta_rk64[6] = { + -0.113554138044166, //-1204558336989.0/10607789004752.0, + -0.215118587818400, //-3028468927040.0/14078136890693.0, + -0.0510152146250577, //-455570672869.0/ 8930094212428.0, + -1.07992686223881, //-17275898420483.0/15997285579755.0, + -0.248664241213447, //-2453906524165.0/ 9868353053862.0, + 0.0}; + +const amrex::Real err_rk64[6] = { + -0.0554699315064507, //-530312978447.0/ 9560368366154.0, + 0.158481845574980, // 473021958881.0/ 2984707536468.0, + -0.0905918835751907, //-947229622805.0/10456009803779.0, + -0.219084567203338, //-2921473878215.0/13334914072261.0, + 0.164022338959433, // 1519535112975.0/ 9264196100452.0, + 0.0426421977505659 // 167623581683.0/ 3930932046784.0 +}; +#endif + +// Timestep adapter +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +adapt_timestep( + const amrex::Real rk_err[], + const amrex::Real dt_rk4max, + amrex::Real& dt, + const amrex::Real dt_rk4min, + const amrex::Real tol) +{ + amrex::Real change_factor; + amrex::Real err = amrex::max(rk_err[0], rk_err[1]); + for (int n = 2; n < NVAR; n++) + err = amrex::max(rk_err[n], err); + + if (err < tol) { + err = amrex::max(err, tol * 1.e-4); + change_factor = std::sqrt( + std::sqrt(tol / err)); // sqrt sqrt is faster than pow(var, 0.25) + dt = amrex::min(dt_rk4max, dt * change_factor); + } else { + change_factor = std::pow(tol / err, 0.2); + dt = amrex::max(dt_rk4min, dt * change_factor); + } +} + +// Do the reactions, here uout and IR change +// Rk integrator +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_expl_reactions( + const int i, + const int j, + const int k, + amrex::Array4 const& uold, + amrex::Array4 const& unew, + amrex::Array4 const& asrc, + amrex::Array4 const& cost, + amrex::Array4 const& IR, + const amrex::Real dt_react, + const int nsteps_min, + const int nsteps_max, + const int nsteps_guess, + const amrex::Real errtol, + const int do_update) +{ +#ifdef AMREX_USE_GPU + // having a global __constant__ variable is slower than having this in local + // memory. + const amrex::Real alpha_rk64[6] = { + 0.218150805229859, // 3296351145737.0/15110423921029.0, + 0.256702469801519, // 1879360555526.0/ 7321162733569.0, + 0.527402592007520, // 10797097731880.0/20472212111779.0, + 0.0484864267224467, // 754636544611.0/15563872110659.0, + 1.24517071533530, // 3260218886217.0/ 2618290685819.0, + 0.412366034843237, // 5069185909380.0/12292927838509.0 + }; + + const amrex::Real beta_rk64[6] = { + -0.113554138044166, //-1204558336989.0/10607789004752.0, + -0.215118587818400, //-3028468927040.0/14078136890693.0, + -0.0510152146250577, //-455570672869.0/ 8930094212428.0, + -1.07992686223881, //-17275898420483.0/15997285579755.0, + -0.248664241213447, //-2453906524165.0/ 9868353053862.0, + 0.0}; + + const amrex::Real err_rk64[6] = { + -0.0554699315064507, //-530312978447.0/ 9560368366154.0, + 0.158481845574980, // 473021958881.0/ 2984707536468.0, + -0.0905918835751907, //-947229622805.0/10456009803779.0, + -0.219084567203338, //-2921473878215.0/13334914072261.0, + 0.164022338959433, // 1519535112975.0/ 9264196100452.0, + 0.0426421977505659 // 167623581683.0/ 3930932046784.0 + }; +#endif + + // compute rhoe_ext/rhoy_ext + amrex::Real rhou = uold(i, j, k, UMX), rhov = uold(i, j, k, UMY), + rhow = uold(i, j, k, UMZ); + amrex::Real rho_old = uold(i, j, k, URHO); + amrex::Real rhoInv = 1.0 / rho_old; + + amrex::Real rho = 0.; + + for (int n = UFS; n < UFS + NUM_SPECIES; n++) + rho += uold(i, j, k, n); + + amrex::Real nrg = + (uold(i, j, k, UEDEN) - + (0.5 * (rhou * rhou + rhov * rhov + rhow * rhow) * rhoInv)) * + rhoInv; + rhou = unew(i, j, k, UMX); + rhov = unew(i, j, k, UMY); + rhow = unew(i, j, k, UMZ); + rhoInv = 1.0 / unew(i, j, k, URHO); + + amrex::Real rhoedot_ext = + ((unew(i, j, k, UEDEN) - + (0.5 * (rhou * rhou + rhov * rhov + rhow * rhow) * rhoInv)) - + rho * nrg) / + dt_react; + + amrex::Real rhoydot_ext[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; n++) + rhoydot_ext[n] = asrc(i, j, k, UFS + n); + + // RK dts + amrex::Real dt_rk = dt_react / nsteps_guess; + const amrex::Real dt_min = dt_react / nsteps_max; + const amrex::Real dt_max = dt_react / nsteps_min; + amrex::Real updt_time = 0.0; + amrex::Real urk[NVAR]; + amrex::Real urk_carryover[NVAR] = {}; + for (int n = 0; n < NVAR; ++n) + urk[n] = uold(i, j, k, n); + amrex::Real urk_err[NVAR] = {}; + + amrex::Real rhoe_carryover = rho * nrg; + amrex::Real rhoe_rk = rho * nrg; + + // Do the RK! + int steps = 0; + while (updt_time < dt_react) { + for (int n = 0; n < NVAR; n++) { + urk_carryover[n] = urk[n]; + urk_err[n] = 0.0; + } + rhoe_carryover = rhoe_rk; + + amrex::Real wdot[NUM_SPECIES] = {}; + amrex::Real massfrac[NUM_SPECIES] = {}; + amrex::Real ei[NUM_SPECIES] = {}; + for (int stage = 0; stage < 6; stage++) { + rhoInv = 1.0 / urk[URHO]; + for (int n = 0; n < NUM_SPECIES; ++n) { + massfrac[n] = urk[UFS + n] * rhoInv; + } + EOS::RTY2WDOT( + urk[URHO], urk[UTEMP], massfrac, wdot); // this is wdot*molecularweights + + amrex::Real Temp_rk; + EOS::EY2T(rhoe_rk / urk[URHO], massfrac, Temp_rk); + + for (int n = 0; n < NUM_SPECIES; ++n) + wdot[n] += rhoydot_ext[n]; + + EOS::T2Ei(Temp_rk, ei); + amrex::Real tempsrc = rhoedot_ext; + for (int n = 0; n < NUM_SPECIES; ++n) + tempsrc -= wdot[n] * ei[n]; + amrex::Real cv; + EOS::TY2Cv(urk[UTEMP], massfrac, cv); + tempsrc /= (urk[URHO] * cv); + + /*================== Update urk_err =================== */ + // Species + for (int n = 0; n < NUM_SPECIES; ++n) + urk_err[UFS + n] += err_rk64[stage] * dt_rk * wdot[n]; + // Temperature + urk_err[UTEMP] += err_rk64[stage] * dt_rk * tempsrc; + + /*================== Update Stage solution =================== */ + // Species + for (int n = 0; n < NUM_SPECIES; ++n) { + urk[UFS + n] = + urk_carryover[UFS + n] + alpha_rk64[stage] * dt_rk * wdot[n]; + } + // Temperature + urk[UTEMP] = urk_carryover[UTEMP] + alpha_rk64[stage] * dt_rk * tempsrc; + // update energy + rhoe_rk = rhoe_carryover + alpha_rk64[stage] * dt_rk * rhoedot_ext; + + /*================== Update urk_carryover =========================== */ + // Species + for (int n = 0; n < NUM_SPECIES; ++n) { + urk_carryover[UFS + n] = + urk[UFS + n] + beta_rk64[stage] * dt_rk * wdot[n]; + } + // Temperature + urk_carryover[UTEMP] = urk[UTEMP] + beta_rk64[stage] * dt_rk * tempsrc; + // update energy + rhoe_carryover = rhoe_rk + beta_rk64[stage] * dt_rk * rhoedot_ext; + + /*================= Update urk[rho] ========================= */ + urk[URHO] = 0.0; + for (int n = 0; n < NUM_SPECIES; ++n) + urk[URHO] += urk[UFS + n]; + + /*================ Adapt Time step! ======================== */ + } // end rk stages + updt_time += dt_rk; + steps += 1; + adapt_timestep(urk_err, dt_max, dt_rk, dt_min, errtol); + } // end timestep loop + cost(i, j, k) = steps; + + // Add drhoY/dt to reactions MultiFab and update unew if needed + amrex::Real umnew = uold(i, j, k, UMX) + dt_react * asrc(i, j, k, UMX); + amrex::Real vmnew = uold(i, j, k, UMY) + dt_react * asrc(i, j, k, UMY); + amrex::Real wmnew = uold(i, j, k, UMZ) + dt_react * asrc(i, j, k, UMZ); + + if (do_update) { + unew(i, j, k, URHO) = urk[URHO]; + unew(i, j, k, UMX) = umnew; + unew(i, j, k, UMY) = vmnew; + unew(i, j, k, UMZ) = wmnew; + unew(i, j, k, UTEMP) = urk[UTEMP]; + for (int n = 0; n < NUM_SPECIES; ++n) { + unew(i, j, k, UFS + n) = urk[UFS + n]; + } + } + + for (int n = 0; n < NUM_SPECIES; ++n) { + IR(i, j, k, n) = + (urk[UFS + n] - uold(i, j, k, UFS + n)) / dt_react - rhoydot_ext[n]; + } + IR(i, j, k, NUM_SPECIES) = + ((nrg * rho_old) + dt_react * rhoedot_ext + + 0.5 * (umnew * umnew + vmnew * vmnew + wmnew * wmnew) / urk[URHO] - + uold(i, j, k, UEDEN)) / + dt_react - + asrc(i, j, k, UEDEN); + /* if(i==22 && j == 23 && k == 208){ + std::cout< + +#include "PeleC.H" +#include "React.H" +#ifdef USE_SUNDIALS_PP +#include +#endif + +void +PeleC::react_state( + amrex::Real time, amrex::Real dt, bool react_init, amrex::MultiFab* A_aux) +{ + /* + Update I_R, and recompute S_new + */ + BL_PROFILE("PeleC::react_state()"); + + const amrex::Real strt_time = amrex::ParallelDescriptor::second(); + + AMREX_ASSERT(do_react == 1); + + if (verbose && amrex::ParallelDescriptor::IOProcessor()) { + if (react_init) { + amrex::Print() << "... Initializing reactions, using interval dt = " << dt + << std::endl; + } else { + amrex::Print() << "... Computing reactions for dt = " << dt << std::endl; + } + } + + amrex::MultiFab& S_new = get_new_data(State_Type); + const int ng = S_new.nGrow(); + prefetchToDevice(S_new); + + // Create a MultiFab with all of the non-reacting source terms. + + amrex::MultiFab Atmp, *Ap; + + if (A_aux == nullptr || react_init) { + Atmp.define(grids, dmap, NVAR, ng, amrex::MFInfo(), Factory()); + Atmp.setVal(0); + Ap = &Atmp; + } + + if (!react_init) { + // Build non-reacting source term, and an S_new that does not include + // reactions + + if (A_aux == nullptr) { + for (int n = 0; n < src_list.size(); ++n) { + amrex::MultiFab::Saxpy( + Atmp, 0.5, *new_sources[src_list[n]], 0, 0, NVAR, ng); + amrex::MultiFab::Saxpy( + Atmp, 0.5, *old_sources[src_list[n]], 0, 0, NVAR, ng); + } + if (do_hydro && !do_mol) { + amrex::MultiFab::Add(Atmp, hydro_source, 0, 0, NVAR, ng); + } + } else { + Ap = A_aux; + } + + amrex::MultiFab& S_old = get_old_data(State_Type); + amrex::MultiFab::Copy(S_new, S_old, 0, 0, NVAR, ng); + amrex::MultiFab::Saxpy(S_new, dt, *Ap, 0, 0, NVAR, ng); + } + + amrex::MultiFab& reactions = get_new_data(Reactions_Type); + reactions.setVal(0.0); + prefetchToDevice(reactions); + if (use_reactions_work_estimate) { + amrex::Abort("Need to implement redistribution of chemistry work"); + } + +#ifdef PELEC_USE_EB + auto const& fact = + dynamic_cast(S_new.Factory()); + auto const& flags = fact.getMultiEBCellFlagFab(); +#endif + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) +#endif + { + for (amrex::MFIter mfi(S_new, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + + const amrex::Box& bx = mfi.growntilebox(ng); + + auto const& uold = + react_init ? S_new.array(mfi) : get_old_data(State_Type).array(mfi); + auto const& unew = S_new.array(mfi); + auto const& a = Ap->array(mfi); + amrex::FArrayBox w(bx, 1); + amrex::Elixir w_eli = w.elixir(); + auto const& w_arr = w.array(); + auto const& I_R = reactions.array(mfi); + const int do_update = + react_init ? 0 : 1; // TODO: Update here? Or just get reaction source? + +#ifdef PELEC_USE_EB + const auto& flag_fab = flags[mfi]; + amrex::FabType typ = flag_fab.getType(bx); + if (typ == amrex::FabType::covered) { + continue; + } else if ( + typ == amrex::FabType::singlevalued || typ == amrex::FabType::regular) +#endif + { + if (chem_integrator == 1) { + const int nsubsteps_min = adaptrk_nsubsteps_min; + const int nsubsteps_max = adaptrk_nsubsteps_max; + const int nsubsteps_guess = adaptrk_nsubsteps_guess; + const amrex::Real errtol = adaptrk_errtol; + + amrex::ParallelFor( + bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + pc_expl_reactions( + i, j, k, uold, unew, a, w_arr, I_R, dt, nsubsteps_min, + nsubsteps_max, nsubsteps_guess, errtol, do_update); + }); + } else if (chem_integrator == 2) { +#ifdef USE_SUNDIALS_PP + const auto len = amrex::length(bx); + const auto lo = amrex::lbound(bx); + const int ncells = len.x * len.y * len.z; + int reactor_type = 1; + amrex::Real fabcost; + amrex::Real current_time = 0.0; + + amrex::Real* rY_in; + amrex::Real* rY_src_in; + amrex::Real* re_in; + amrex::Real* re_src_in; + +#ifdef USE_CUDA_SUNDIALS_PP + cudaError_t cuda_status = cudaSuccess; + cudaMallocManaged( + &rY_in, (NUM_SPECIES + 1) * ncells * sizeof(amrex::Real)); + cudaMallocManaged( + &rY_src_in, NUM_SPECIES * ncells * sizeof(amrex::Real)); + cudaMallocManaged(&re_in, ncells * sizeof(amrex::Real)); + cudaMallocManaged(&re_src_in, ncells * sizeof(amrex::Real)); + + int ode_ncells = ncells; +#else + rY_in = new amrex::Real[ncells * (NUM_SPECIES + 1)]; + rY_src_in = new amrex::Real[ncells * (NUM_SPECIES)]; + re_in = new amrex::Real[ncells]; + re_src_in = new amrex::Real[ncells]; + + int ode_ncells = 1; +#endif + amrex::ParallelFor( + bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + amrex::Real rhou = uold(i, j, k, UMX); + amrex::Real rhov = uold(i, j, k, UMY); + amrex::Real rhow = uold(i, j, k, UMZ); + amrex::Real rho_old = uold(i, j, k, URHO); + amrex::Real rhoInv = 1.0 / rho_old; + amrex::Real rho = 0.; + + for (int nsp = UFS; nsp < (UFS + NUM_SPECIES); nsp++) { + rho += uold(i, j, k, nsp); + } + + amrex::Real nrg = + (uold(i, j, k, UEDEN) - + (0.5 * (rhou * rhou + rhov * rhov + rhow * rhow) * rhoInv)) * + rhoInv; + + rhou = unew(i, j, k, UMX); + rhov = unew(i, j, k, UMY); + rhow = unew(i, j, k, UMZ); + rhoInv = 1.0 / unew(i, j, k, URHO); + + amrex::Real rhoedot_ext = + ((unew(i, j, k, UEDEN) - + (0.5 * (rhou * rhou + rhov * rhov + rhow * rhow) * rhoInv)) - + rho * nrg) / + dt; + + int offset = + (k - lo.z) * len.x * len.y + (j - lo.y) * len.x + (i - lo.x); + for (int nsp = 0; nsp < NUM_SPECIES; nsp++) { + rY_in[offset * (NUM_SPECIES + 1) + nsp] = + uold(i, j, k, UFS + nsp); + rY_src_in[offset * NUM_SPECIES + nsp] = a(i, j, k, UFS + nsp); + } + rY_in[offset * (NUM_SPECIES + 1) + NUM_SPECIES] = + uold(i, j, k, UTEMP); + re_in[offset] = uold(i, j, k, UEINT); + re_src_in[offset] = rhoedot_ext; + }); + +#ifdef USE_CUDA_SUNDIALS_PP + cuda_status = cudaStreamSynchronize(amrex::Gpu::gpuStream()); +#endif + fabcost = 0.0; + for (int i = 0; i < ncells; i += ode_ncells) { + +#ifdef USE_CUDA_SUNDIALS_PP + fabcost += react( + rY_in + i * (NUM_SPECIES + 1), rY_src_in + i * NUM_SPECIES, + re_in + i, re_src_in + i, &dt, ¤t_time, &reactor_type, + &ode_ncells, amrex::Gpu::gpuStream()); +#else + fabcost += react( + rY_in + i * (NUM_SPECIES + 1), rY_src_in + i * NUM_SPECIES, + re_in + i, re_src_in + i, &dt, ¤t_time); +#endif + } + fabcost = fabcost / ncells; + + // unpack data + amrex::ParallelFor( + bx, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + w_arr(i, j, k) = fabcost; + amrex::Real rhou = uold(i, j, k, UMX); + amrex::Real rhov = uold(i, j, k, UMY); + amrex::Real rhow = uold(i, j, k, UMZ); + amrex::Real rho_old = uold(i, j, k, URHO); + amrex::Real rhoInv = 1.0 / rho_old; + + amrex::Real rho = 0.; + for (int nsp = UFS; nsp < (UFS + NUM_SPECIES); nsp++) { + rho += uold(i, j, k, nsp); + } + amrex::Real nrg = + (uold(i, j, k, UEDEN) - + (0.5 * (rhou * rhou + rhov * rhov + rhow * rhow) * rhoInv)) * + rhoInv; + + rhou = unew(i, j, k, UMX); + rhov = unew(i, j, k, UMY); + rhow = unew(i, j, k, UMZ); + rhoInv = 1.0 / unew(i, j, k, URHO); + + amrex::Real rhoedot_ext = + ((unew(i, j, k, UEDEN) - + (0.5 * (rhou * rhou + rhov * rhov + rhow * rhow) * rhoInv)) - + rho * nrg) / + dt; + + amrex::Real umnew = uold(i, j, k, UMX) + dt * a(i, j, k, UMX); + amrex::Real vmnew = uold(i, j, k, UMY) + dt * a(i, j, k, UMY); + amrex::Real wmnew = uold(i, j, k, UMZ) + dt * a(i, j, k, UMZ); + amrex::Real rhonew; + + int offset = + (k - lo.z) * len.x * len.y + (j - lo.y) * len.x + (i - lo.x); + for (int nsp = 0; nsp < NUM_SPECIES; nsp++) { + rhonew += rY_in[offset * (NUM_SPECIES + 1) + nsp]; + } + + if (do_update) { + unew(i, j, k, URHO) = rhonew; + unew(i, j, k, UMX) = umnew; + unew(i, j, k, UMY) = vmnew; + unew(i, j, k, UMZ) = wmnew; + for (int nsp = 0; nsp < NUM_SPECIES; nsp++) { + unew(i, j, k, UFS + nsp) = + rY_in[offset * (NUM_SPECIES + 1) + nsp]; + } + unew(i, j, k, UTEMP) = + rY_in[offset * (NUM_SPECIES + 1) + NUM_SPECIES]; + } + + for (int nsp = 0; nsp < NUM_SPECIES; nsp++) { + I_R(i, j, k, nsp) = (rY_in[offset * (NUM_SPECIES + 1) + nsp] - + uold(i, j, k, UFS + nsp)) / + dt - + rY_src_in[offset * (NUM_SPECIES) + nsp]; + } + I_R(i, j, k, NUM_SPECIES) = + ((nrg * rho_old) + dt * rhoedot_ext + + 0.5 * (umnew * umnew + vmnew * vmnew + wmnew * wmnew) / + rhonew - + uold(i, j, k, UEDEN)) / + dt - + a(i, j, k, UEDEN); + }); + + if (do_react_load_balance || do_mol_load_balance) { + get_new_data(Work_Estimate_Type)[mfi].plus(w); + } +#else + amrex::Abort( + "chem_integrator=2 which requires Sundials to be enabled"); +#endif + } else { + amrex::Abort("chem_integrator must be equal to 1 or 2"); + } + } + } + } + + if (ng > 0) + S_new.FillBoundary(geom.periodicity()); + + if (verbose > 1) { + + const int IOProc = amrex::ParallelDescriptor::IOProcessorNumber(); + amrex::Real run_time = amrex::ParallelDescriptor::second() - strt_time; + +#ifdef AMREX_LAZY + Lazy::QueueReduction([=]() mutable { +#endif + amrex::ParallelDescriptor::ReduceRealMax(run_time, IOProc); + + if (amrex::ParallelDescriptor::IOProcessor()) + amrex::Print() << "PeleC::react_state() time = " << run_time << "\n"; +#ifdef AMREX_LAZY + }); +#endif + } +} diff --git a/SourceCpp/Riemann.H b/SourceCpp/Riemann.H new file mode 100644 index 000000000..25cd1b5dd --- /dev/null +++ b/SourceCpp/Riemann.H @@ -0,0 +1,180 @@ +#ifndef _RIEMANN_H_ +#define _RIEMANN_H_ +#include "PeleC.H" +#include "EOS.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +riemann( + const amrex::Real rl, + const amrex::Real ul, + const amrex::Real vl, + const amrex::Real v2l, + const amrex::Real pl, + const amrex::Real rel, + const amrex::Real spl[NUM_SPECIES], + const amrex::Real gamcl, + const amrex::Real rr, + const amrex::Real ur, + const amrex::Real vr, + const amrex::Real v2r, + const amrex::Real pr, + const amrex::Real rer, + const amrex::Real spr[NUM_SPECIES], + const amrex::Real gamcr, + const int bc_test_val, + const amrex::Real csmall, + const amrex::Real cav, + amrex::Real& ustar, + amrex::Real& uflx_rho, + amrex::Real& uflx_u, + amrex::Real& uflx_v, + amrex::Real& uflx_w, + amrex::Real& uflx_eden, + amrex::Real& uflx_eint, + amrex::Real& qint_iu, + amrex::Real& qint_iv1, + amrex::Real& qint_iv2, + amrex::Real& qint_gdpres, + amrex::Real& qint_gdgame) +{ + const amrex::Real wsmall = SMALL_DENS * csmall; + + amrex::Real gdnv_state_rho = rl; + amrex::Real gdnv_state_p = pl; + amrex::Real gdnv_state_massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; n++) { + gdnv_state_massfrac[n] = spl[n]; + } + amrex::Real gdnv_state_cs; + EOS::RPY2Cs(gdnv_state_rho, gdnv_state_p, gdnv_state_massfrac, gdnv_state_cs); + const amrex::Real csl = gdnv_state_cs; + + gdnv_state_rho = rr; + gdnv_state_p = pr; + for (int n = 0; n < NUM_SPECIES; n++) { + gdnv_state_massfrac[n] = spr[n]; + } + EOS::RPY2Cs(gdnv_state_rho, gdnv_state_p, gdnv_state_massfrac, gdnv_state_cs); + const amrex::Real csr = gdnv_state_cs; + + const amrex::Real wl = + amrex::max(wsmall, std::sqrt(amrex::Math::abs(gamcl * pl * rl))); + const amrex::Real wr = + amrex::max(wsmall, std::sqrt(amrex::Math::abs(gamcr * pr * rr))); + const amrex::Real pstar = amrex::max( + SMALL_PRES, ((wr * pl + wl * pr) + wl * wr * (ul - ur)) / (wl + wr)); + ustar = ((wl * ul + wr * ur) + (pl - pr)) / (wl + wr); + + bool mask = ustar > 0.0; + amrex::Real ro = mask ? rl : rr; + amrex::Real uo = mask ? ul : ur; + amrex::Real po = mask ? pl : pr; + amrex::Real sp[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; n++) { + sp[n] = mask ? spl[n] : spr[n]; + } + + mask = amrex::Math::abs(ustar) < + SMALLU * 0.5 * (amrex::Math::abs(ul) + amrex::Math::abs(ur)) || + ustar == 0.0; + ustar = mask ? 0.0 : ustar; + ro = mask ? 0.5 * (rl + rr) : ro; + uo = mask ? 0.5 * (ul + ur) : uo; + po = mask ? 0.5 * (pl + pr) : po; + for (int n = 0; n < NUM_SPECIES; n++) { + sp[n] = mask ? 0.5 * (spl[n] + spr[n]) : sp[n]; + } + + gdnv_state_rho = ro; + gdnv_state_p = po; + for (int n = 0; n < NUM_SPECIES; n++) { + gdnv_state_massfrac[n] = sp[n]; + } + amrex::Real gdnv_state_e; + EOS::RYP2E(gdnv_state_rho, gdnv_state_massfrac, gdnv_state_p, gdnv_state_e); + const amrex::Real reo = gdnv_state_rho * gdnv_state_e; + EOS::RPY2Cs(gdnv_state_rho, gdnv_state_p, gdnv_state_massfrac, gdnv_state_cs); + const amrex::Real co = gdnv_state_cs; + + const amrex::Real drho = (pstar - po) / (co * co); + const amrex::Real rstar = amrex::max(SMALL_DENS, ro + drho); + + gdnv_state_rho = rstar; + gdnv_state_p = pstar; + for (int n = 0; n < NUM_SPECIES; n++) { + gdnv_state_massfrac[n] = sp[n]; + } + EOS::RYP2E(gdnv_state_rho, gdnv_state_massfrac, gdnv_state_p, gdnv_state_e); + const amrex::Real estar = gdnv_state_rho * gdnv_state_e; + EOS::RPY2Cs(gdnv_state_rho, gdnv_state_p, gdnv_state_massfrac, gdnv_state_cs); + const amrex::Real cstar = gdnv_state_cs; + + const amrex::Real sgnm = amrex::Math::copysign(1.0, ustar); + + amrex::Real spout = co - sgnm * uo; + amrex::Real spin = cstar - sgnm * ustar; + const amrex::Real ushock = 0.5 * (spin + spout); + + mask = pstar < po; + spout = mask ? spout : ushock; + spin = mask ? spin : ushock; + + const amrex::Real scr = (spout == spin) ? SMALL * cav : spout - spin; + const amrex::Real frac = + amrex::max(0.0, amrex::min(1.0, (1.0 + (spout + spin) / scr) * 0.5)); + + mask = ustar > 0.0; + qint_iv1 = mask ? vl : vr; + qint_iv2 = mask ? v2l : v2r; + + mask = (ustar == 0.0); + qint_iv1 = mask ? 0.5 * (vl + vr) : qint_iv1; + qint_iv2 = mask ? 0.5 * (v2l + v2r) : qint_iv2; + amrex::Real rgd = frac * rstar + (1.0 - frac) * ro; + qint_iu = frac * ustar + (1.0 - frac) * uo; + qint_gdpres = frac * pstar + (1.0 - frac) * po; + + gdnv_state_rho = rgd; + gdnv_state_p = qint_gdpres; + for (int n = 0; n < NUM_SPECIES; n++) { + gdnv_state_massfrac[n] = sp[n]; + } + EOS::RYP2E(gdnv_state_rho, gdnv_state_massfrac, gdnv_state_p, gdnv_state_e); + amrex::Real regd = gdnv_state_rho * gdnv_state_e; + + mask = (spout < 0.0); + rgd = mask ? ro : rgd; + qint_iu = mask ? uo : qint_iu; + qint_gdpres = mask ? po : qint_gdpres; + regd = mask ? reo : regd; + + mask = (spin >= 0.0); + rgd = mask ? rstar : rgd; + qint_iu = mask ? ustar : qint_iu; + qint_gdpres = mask ? pstar : qint_gdpres; + regd = mask ? estar : regd; + + gdnv_state_rho = rgd; + gdnv_state_p = qint_gdpres; + for (int n = 0; n < NUM_SPECIES; n++) { + gdnv_state_massfrac[n] = sp[n]; + } + EOS::RYP2E(gdnv_state_rho, gdnv_state_massfrac, gdnv_state_p, gdnv_state_e); + regd = gdnv_state_rho * gdnv_state_e; + + qint_gdgame = qint_gdpres / regd + 1.0; + qint_iu = bc_test_val * qint_iu; + uflx_rho = rgd * qint_iu; + uflx_u = uflx_rho * qint_iu + qint_gdpres; + uflx_v = uflx_rho * qint_iv1; + uflx_w = uflx_rho * qint_iv2; + const amrex::Real rhoetot = + regd + + 0.5 * rgd * (qint_iu * qint_iu + qint_iv1 * qint_iv1 + qint_iv2 * qint_iv2); + uflx_eden = qint_iu * (rhoetot + qint_gdpres); + uflx_eint = qint_iu * regd; +} + +#endif diff --git a/SourceCpp/Setup.cpp b/SourceCpp/Setup.cpp new file mode 100644 index 000000000..8dc7e0a86 --- /dev/null +++ b/SourceCpp/Setup.cpp @@ -0,0 +1,674 @@ +#include + +#include +#include +#include + +#ifdef PELEC_USE_MASA +#include +using namespace MASA; +#endif + +#include "mechanism.h" +#include "PeleC.H" +#include "Derive.H" +#include "IndexDefines.H" +#include "prob.H" +#include "chemistry_file.H" + +// +// Components are: +// Interior, Inflow, Outflow, Symmetry, SlipWall, NoSlipWall, UserBC +// +static int scalar_bc[] = {INT_DIR, EXT_DIR, FOEXTRAP, REFLECT_EVEN, + REFLECT_EVEN, REFLECT_EVEN, EXT_DIR}; + +static int norm_vel_bc[] = {INT_DIR, EXT_DIR, FOEXTRAP, REFLECT_ODD, + REFLECT_ODD, REFLECT_ODD, EXT_DIR}; + +static int tang_vel_bc[] = {INT_DIR, EXT_DIR, FOEXTRAP, REFLECT_EVEN, + REFLECT_EVEN, REFLECT_ODD, EXT_DIR}; + +static int react_src_bc[] = {INT_DIR, REFLECT_EVEN, REFLECT_EVEN, + REFLECT_EVEN, REFLECT_EVEN, REFLECT_EVEN, + REFLECT_EVEN}; + +static void +set_scalar_bc(amrex::BCRec& bc, const amrex::BCRec& phys_bc) +{ + const int* lo_bc = phys_bc.lo(); + const int* hi_bc = phys_bc.hi(); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + bc.setLo(dir, scalar_bc[lo_bc[dir]]); + bc.setHi(dir, scalar_bc[hi_bc[dir]]); + } +} + +static void +set_x_vel_bc(amrex::BCRec& bc, const amrex::BCRec& phys_bc) +{ + const int* lo_bc = phys_bc.lo(); + const int* hi_bc = phys_bc.hi(); + AMREX_D_TERM( + bc.setLo(0, norm_vel_bc[lo_bc[0]]); bc.setHi(0, norm_vel_bc[hi_bc[0]]); + , bc.setLo(1, tang_vel_bc[lo_bc[1]]); bc.setHi(1, tang_vel_bc[hi_bc[1]]); + , bc.setLo(2, tang_vel_bc[lo_bc[2]]); bc.setHi(2, tang_vel_bc[hi_bc[2]]);); +} + +static void +set_y_vel_bc(amrex::BCRec& bc, const amrex::BCRec& phys_bc) +{ + const int* lo_bc = phys_bc.lo(); + const int* hi_bc = phys_bc.hi(); + AMREX_D_TERM( + bc.setLo(0, tang_vel_bc[lo_bc[0]]); bc.setHi(0, tang_vel_bc[hi_bc[0]]); + , bc.setLo(1, norm_vel_bc[lo_bc[1]]); bc.setHi(1, norm_vel_bc[hi_bc[1]]); + , bc.setLo(2, tang_vel_bc[lo_bc[2]]); bc.setHi(2, tang_vel_bc[hi_bc[2]]);); +} + +static void +set_react_src_bc(amrex::BCRec& bc, const amrex::BCRec& phys_bc) +{ + const int* lo_bc = phys_bc.lo(); + const int* hi_bc = phys_bc.hi(); + for (int dir = 0; dir < AMREX_SPACEDIM; dir++) { + bc.setLo(dir, react_src_bc[lo_bc[dir]]); + bc.setHi(dir, react_src_bc[hi_bc[dir]]); + } +} + +static void +set_z_vel_bc(amrex::BCRec& bc, const amrex::BCRec& phys_bc) +{ + const int* lo_bc = phys_bc.lo(); + const int* hi_bc = phys_bc.hi(); + AMREX_D_TERM( + bc.setLo(0, tang_vel_bc[lo_bc[0]]); bc.setHi(0, tang_vel_bc[hi_bc[0]]); + , bc.setLo(1, tang_vel_bc[lo_bc[1]]); bc.setHi(1, tang_vel_bc[hi_bc[1]]); + , bc.setLo(2, norm_vel_bc[lo_bc[2]]); bc.setHi(2, norm_vel_bc[hi_bc[2]]);); +} + +void +PeleC::variableSetUp() +{ + + // PeleC::variableSetUp is called in the constructor of Amr.cpp, so + // it should get called every time we start or restart a job + + // initialize the start time for our CPU-time tracker + startCPUTime = amrex::ParallelDescriptor::second(); + + // Output the git commit hashes used to build the executable. + + if (amrex::ParallelDescriptor::IOProcessor()) { + const char* pelec_hash = amrex::buildInfoGetGitHash(1); + const char* amrex_hash = amrex::buildInfoGetGitHash(2); + const char* pelephysics_hash = amrex::buildInfoGetGitHash(3); + const char* buildgithash = amrex::buildInfoGetBuildGitHash(); + const char* buildgitname = amrex::buildInfoGetBuildGitName(); + + if (strlen(pelec_hash) > 0) { + amrex::Print() << "\n" + << "PeleC git hash: " << pelec_hash << "\n"; + } + if (strlen(amrex_hash) > 0) { + amrex::Print() << "AMReX git hash: " << amrex_hash << "\n"; + } + if (strlen(pelephysics_hash) > 0) { + amrex::Print() << "PelePhysics git hash: " << pelephysics_hash << "\n"; + } + if (strlen(buildgithash) > 0) { + amrex::Print() << buildgitname << " git hash: " << buildgithash << "\n"; + } + + amrex::Print() << "\n"; + } + + AMREX_ASSERT(desc_lst.size() == 0); + + // Get options, set phys_bc + read_params(); + + // Initialize the runtime parameters for any of the external code + init_extern(); + + // Initialize the network + init_network(); + +#ifdef PELEC_USE_REACTIONS + // Initialize the reactor + if (do_react == 1) { + init_reactor(); + } +#endif + + init_eos(); + + init_transport(); + + indxmap::init(); + +#ifdef PELEC_USE_MASA + if (do_mms) { + init_mms(); + } +#endif + + // + // Set number of state variables and pointers to components + // + + int cnt = 0; + Density = cnt++; + Xmom = cnt++; + Ymom = cnt++; + Zmom = cnt++; + Eden = cnt++; + Eint = cnt++; + Temp = cnt++; + +#ifdef NUM_ADV + NumAdv = NUM_ADV; +#else + NumAdv = 0; +#endif + + if (NumAdv > 0) { + FirstAdv = cnt; + cnt += NumAdv; + } + + int dm = AMREX_SPACEDIM; + + if (NUM_SPECIES > 0) { + FirstSpec = cnt; + cnt += NUM_SPECIES; + } + + if (NUM_AUX > 0) { + FirstAux = cnt; + cnt += NUM_AUX; + } + + // NVAR = cnt; + +#ifdef AMREX_PARTICLES + // Set index locations for particle state vector + pstateVel = 0; + pstateT = pstateVel + AMREX_SPACEDIM; + pstateDia = pstateT + 1; + pstateRho = pstateDia + 1; + pstateY = pstateRho + 1; + pstateNum = pstateY + SPRAY_FUEL_NUM; +#endif + + // const amrex::Real run_strt = amrex::ParallelDescriptor::second() ; + + // Real run_stop = ParallelDescriptor::second() - run_strt; + + // ParallelDescriptor::ReduceRealMax(run_stop,ParallelDescriptor::IOProcessorNumber()); + + // if (ParallelDescriptor::IOProcessor()) + // std::cout << "\nTime in set_method_params: " << run_stop << '\n' ; + + if (nscbc_adv == 1 && amrex::ParallelDescriptor::IOProcessor()) + amrex::Print() << '\n' + << "Using Ghost-Cells Navier-Stokes Characteristic BCs for " + "advection: nscbc_adv = " + << nscbc_adv << '\n' + << '\n'; + + if (nscbc_diff == 1 && amrex::ParallelDescriptor::IOProcessor()) + amrex::Print() << "Using Ghost-Cells Navier-Stokes Characteristic BCs for " + "diffusion: nscbc_diff = " + << nscbc_diff << '\n' + << '\n'; + + int coord_type = amrex::DefaultGeometry().Coord(); + + amrex::Vector center(AMREX_SPACEDIM, 0.0); + amrex::ParmParse ppc("pelec"); + ppc.queryarr("center", center, 0, AMREX_SPACEDIM); + + amrex::Interpolater* interp; + + if (state_interp_order == 0) { + interp = &amrex::pc_interp; + } else { + if (lin_limit_state_interp == 1) { + interp = &amrex::lincc_interp; + } else { + interp = &amrex::cell_cons_interp; + } + } + +#ifdef PELEC_USE_EB + // Decide from input whether eb interp is needed for FillPatch operations + if ((eb_in_domain) and (state_interp_order != 0)) { + interp = &amrex::eb_cell_cons_interp; + } +#endif + + // Note that the default is state_data_extrap = false, + // store_in_checkpoint = true. We only need to put these in + // explicitly if we want to do something different, + // like not store the state data in a checkpoint directory + bool state_data_extrap = false; + bool store_in_checkpoint; + + int ngrow_state = state_nghost; + AMREX_ASSERT(ngrow_state >= 0); + + store_in_checkpoint = true; + desc_lst.addDescriptor( + State_Type, amrex::IndexType::TheCellType(), amrex::StateDescriptor::Point, + ngrow_state, NVAR, interp, state_data_extrap, store_in_checkpoint); + + // Components 0:Numspec-1 are rho.omega_i + // Component NUM_SPECIES is rho.edot = (rho.eout-rho.ein) +#ifdef PELEC_USE_REACTIONS + store_in_checkpoint = true; + desc_lst.addDescriptor( + Reactions_Type, amrex::IndexType::TheCellType(), + amrex::StateDescriptor::Point, 0, NUM_SPECIES + 1, interp, + state_data_extrap, store_in_checkpoint); +#endif + + amrex::Vector bcs(NVAR); + amrex::Vector name(NVAR); + amrex::Vector react_bcs(NUM_SPECIES + 1); + amrex::Vector react_name(NUM_SPECIES + 1); + + amrex::BCRec bc; + cnt = 0; + set_scalar_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "density"; + cnt++; + set_x_vel_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "xmom"; + cnt++; + set_y_vel_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "ymom"; + cnt++; + set_z_vel_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "zmom"; + cnt++; + set_scalar_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "rho_E"; + cnt++; + set_scalar_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "rho_e"; + cnt++; + set_scalar_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "Temp"; + + for (int i = 0; i < NumAdv; ++i) { + char buf[64]; + sprintf(buf, "adv_%d", i); + cnt++; + set_scalar_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = std::string(buf); + } + + // Get the species names from the network model. + { + int len = 20; + amrex::Vector int_spec_names(len * NUM_SPECIES); + CKSYMS(int_spec_names.dataPtr(), &len); + for (int i = 0; i < NUM_SPECIES; i++) { + int j = 0; + for (j = 0; j < len; j++) { + if (int_spec_names[i * len + j] == ' ') + break; + } + const int strlen = j; + char char_spec_names[strlen + 1]; + for (j = 0; j < strlen; j++) + char_spec_names[j] = int_spec_names[i * len + j]; + char_spec_names[j] = '\0'; + spec_names.push_back(std::string(char_spec_names)); + } + } + + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << NUM_SPECIES << " Species: " << std::endl; + for (int i = 0; i < NUM_SPECIES; i++) + amrex::Print() << spec_names[i] << ' ' << ' '; + amrex::Print() << std::endl; + } + + for (int i = 0; i < NUM_SPECIES; ++i) { + cnt++; + set_scalar_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "rho_" + spec_names[i]; + } + // Get the auxiliary names from the network model. + amrex::Vector aux_names; + for (int i = 0; i < NUM_AUX; i++) { + int len = 20; + amrex::Vector int_aux_names(len); + /* Disabling for CUDA at the moment. Look at the species names to see how to + do this in C++. AUX stuff is usually 0 anyway. + // This call return the actual length of each string in "len" + get_aux_names(int_aux_names.dataPtr(),&i,&len); + */ + char char_aux_names[len + 1]; + for (int j = 0; j < len; j++) + char_aux_names[j] = int_aux_names[j]; + char_aux_names[len] = '\0'; + aux_names.push_back(std::string(char_aux_names)); + } + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << NUM_AUX << " Auxiliary Variables: " << std::endl; + for (int i = 0; i < NUM_AUX; i++) + amrex::Print() << aux_names[i] << ' ' << ' '; + amrex::Print() << std::endl; + } + + for (int i = 0; i < NUM_AUX; ++i) { + cnt++; + set_scalar_bc(bc, phys_bc); + bcs[cnt] = bc; + name[cnt] = "rho_" + aux_names[i]; + } + + amrex::StateDescriptor::BndryFunc bndryfunc1(pc_bcfill_hyp); + bndryfunc1.setRunOnGPU(true); + + desc_lst.setComponent(State_Type, Density, name, bcs, bndryfunc1); + +#ifdef PELEC_USE_REACTIONS + for (int i = 0; i < NUM_SPECIES; ++i) { + set_react_src_bc(bc, phys_bc); + react_bcs[i] = bc; + react_name[i] = "rho_omega_" + spec_names[i]; + } + set_react_src_bc(bc, phys_bc); + react_bcs[NUM_SPECIES] = bc; + react_name[NUM_SPECIES] = "rhoe_dot"; + + amrex::StateDescriptor::BndryFunc bndryfunc2(pc_reactfill_hyp); + bndryfunc2.setRunOnGPU(true); + + desc_lst.setComponent(Reactions_Type, 0, react_name, react_bcs, bndryfunc2); +#endif + + if (do_react_load_balance || do_mol_load_balance) { + desc_lst.addDescriptor( + Work_Estimate_Type, amrex::IndexType::TheCellType(), + amrex::StateDescriptor::Point, 0, 1, &amrex::pc_interp); + // Because we use piecewise constant interpolation, we do not use bc and + // BndryFunc. + desc_lst.setComponent( + Work_Estimate_Type, 0, "WorkEstimate", bc, + amrex::StateDescriptor::BndryFunc(pc_nullfill)); + } + + num_state_type = desc_lst.size(); + + // + // DEFINE DERIVED QUANTITIES + // + // Pressure + // + derive_lst.add( + "pressure", amrex::IndexType::TheCellType(), 1, pc_derpres, the_same_box); + derive_lst.addComponent("pressure", desc_lst, State_Type, Density, NVAR); + + // + // Kinetic energy + // + derive_lst.add( + "kineng", amrex::IndexType::TheCellType(), 1, pc_derkineng, the_same_box); + derive_lst.addComponent("kineng", desc_lst, State_Type, Density, NVAR); + + // + // Enstrophy + // + derive_lst.add( + "enstrophy", amrex::IndexType::TheCellType(), 1, pc_derenstrophy, + grow_box_by_one); + derive_lst.addComponent("enstrophy", desc_lst, State_Type, Density, NVAR); + + // + // Sound speed (c) + // + derive_lst.add( + "soundspeed", amrex::IndexType::TheCellType(), 1, pc_dersoundspeed, + the_same_box); + derive_lst.addComponent("soundspeed", desc_lst, State_Type, Density, NVAR); + + // + // Mach number(M) + // + derive_lst.add( + "MachNumber", amrex::IndexType::TheCellType(), 1, pc_dermachnumber, + the_same_box); + derive_lst.addComponent("MachNumber", desc_lst, State_Type, Density, NVAR); + + // + // Entropy (S) + // + derive_lst.add( + "entropy", amrex::IndexType::TheCellType(), 1, pc_derentropy, the_same_box); + derive_lst.addComponent("entropy", desc_lst, State_Type, Density, NVAR); + + // + // Vorticity + // + derive_lst.add( + "magvort", amrex::IndexType::TheCellType(), 1, pc_dermagvort, + grow_box_by_one); + derive_lst.addComponent("magvort", desc_lst, State_Type, Density, NVAR); + + // + // Div(u) + // + derive_lst.add( + "divu", amrex::IndexType::TheCellType(), 1, pc_derdivu, grow_box_by_one); + derive_lst.addComponent("divu", desc_lst, State_Type, Density, NVAR); + + // + // Internal energy as derived from rho*E, part of the state + // + derive_lst.add( + "eint_E", amrex::IndexType::TheCellType(), 1, pc_dereint1, the_same_box); + derive_lst.addComponent("eint_E", desc_lst, State_Type, Density, NVAR); + + // + // Internal energy as derived from rho*e, part of the state + // + derive_lst.add( + "eint_e", amrex::IndexType::TheCellType(), 1, pc_dereint2, the_same_box); + derive_lst.addComponent("eint_e", desc_lst, State_Type, Density, NVAR); + + // + // Log(density) + // + derive_lst.add( + "logden", amrex::IndexType::TheCellType(), 1, pc_derlogden, the_same_box); + derive_lst.addComponent("logden", desc_lst, State_Type, Density, NVAR); + + // + // Y from rhoY + // + amrex::Vector var_names_massfrac(NUM_SPECIES); + for (int i = 0; i < NUM_SPECIES; i++) { + var_names_massfrac[i] = "Y(" + spec_names[i] + ")"; + } + + derive_lst.add( + "massfrac", amrex::IndexType::TheCellType(), NUM_SPECIES, + var_names_massfrac, pc_derspec, the_same_box); + derive_lst.addComponent("massfrac", desc_lst, State_Type, Density, NVAR); + + // + // Species mole fractions + // + + amrex::Vector var_names_molefrac(NUM_SPECIES); + for (int i = 0; i < NUM_SPECIES; i++) { + var_names_molefrac[i] = "X(" + spec_names[i] + ")"; + } + + derive_lst.add( + "molefrac", amrex::IndexType::TheCellType(), NUM_SPECIES, + var_names_molefrac, pc_dermolefrac, the_same_box); + derive_lst.addComponent("molefrac", desc_lst, State_Type, Density, NVAR); + + // + // Velocities + // + derive_lst.add( + "x_velocity", amrex::IndexType::TheCellType(), 1, pc_dervelx, the_same_box); + derive_lst.addComponent("x_velocity", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "y_velocity", amrex::IndexType::TheCellType(), 1, pc_dervely, the_same_box); + derive_lst.addComponent("y_velocity", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "z_velocity", amrex::IndexType::TheCellType(), 1, pc_dervelz, the_same_box); + derive_lst.addComponent("z_velocity", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "magvel", amrex::IndexType::TheCellType(), 1, pc_dermagvel, the_same_box); + derive_lst.addComponent("magvel", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "radvel", amrex::IndexType::TheCellType(), 1, pc_derradialvel, + the_same_box); + derive_lst.addComponent("radvel", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "magmom", amrex::IndexType::TheCellType(), 1, pc_dermagmom, the_same_box); + derive_lst.addComponent("magmom", desc_lst, State_Type, Density, NVAR); + +#ifdef PELEC_USE_EB + // A dummy + derive_lst.add( + "vfrac", amrex::IndexType::TheCellType(), 1, pc_dermagvel, the_same_box); +#endif + +#ifdef AMREX_PARTICLES + // We want a derived type that corresponds to the number of particles + // in each cell. We only intend to use it in plotfiles for debugging + // purposes. We'll actually set the values in writePlotFile(). + derive_lst.add( + "particle_count", amrex::IndexType::TheCellType(), 1, pc_dernull, + the_same_box); + derive_lst.addComponent("particle_count", desc_lst, State_Type, Density, 1); + + derive_lst.add( + "total_particle_count", amrex::IndexType::TheCellType(), 1, pc_dernull, + the_same_box); + derive_lst.addComponent( + "total_particle_count", desc_lst, State_Type, Density, 1); + + derive_lst.add( + "particle_density", amrex::IndexType::TheCellType(), 1, pc_dernull, + the_same_box); + derive_lst.addComponent("particle_density", desc_lst, State_Type, Density, 1); +#endif + + // + // LES coefficients + // + if (do_les) { + derive_lst.add( + "C_s2", amrex::IndexType::TheCellType(), 1, pc_dernull, the_same_box); + derive_lst.addComponent("C_s2", desc_lst, State_Type, Density, 1); + + derive_lst.add( + "C_I", amrex::IndexType::TheCellType(), 1, pc_dernull, the_same_box); + derive_lst.addComponent("C_I", desc_lst, State_Type, Density, 1); + + derive_lst.add( + "Pr_T", amrex::IndexType::TheCellType(), 1, pc_dernull, the_same_box); + derive_lst.addComponent("Pr_T", desc_lst, State_Type, Density, 1); + } + + // MMS derives +#ifdef PELEC_USE_MASA + if (do_mms) { + derive_lst.add( + "rhommserror", amrex::IndexType::TheCellType(), 1, pc_derrhommserror, + the_same_box); + derive_lst.addComponent("rhommserror", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "ummserror", amrex::IndexType::TheCellType(), 1, pc_derummserror, + the_same_box); + derive_lst.addComponent("ummserror", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "vmmserror", amrex::IndexType::TheCellType(), 1, pc_dervmmserror, + the_same_box); + derive_lst.addComponent("vmmserror", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "wmmserror", amrex::IndexType::TheCellType(), 1, pc_derwmmserror, + the_same_box); + derive_lst.addComponent("wmmserror", desc_lst, State_Type, Density, NVAR); + + derive_lst.add( + "pmmserror", amrex::IndexType::TheCellType(), 1, pc_derpmmserror, + the_same_box); + derive_lst.addComponent("pmmserror", desc_lst, State_Type, Density, NVAR); + } +#endif + + // Problem-specific derives + add_problem_derives(derive_lst, desc_lst); + + // Set list of active sources + set_active_sources(); +#ifdef AMREX_PARTICLES + defineParticles(); +#endif +} + +void +PeleC::set_active_sources() +{ + if (do_diffuse && !do_mol) { + src_list.push_back(diff_src); + } + + // optional external source + if (add_ext_src == 1) { + src_list.push_back(ext_src); + } + + // optional forcing source + if (add_forcing_src == 1) { + src_list.push_back(forcing_src); + } + +#ifdef AMREX_PARTICLES + if (do_spray_particles) { + src_list.push_back(spray_src); + } +#endif + + // optional LES source + if (do_les) { + src_list.push_back(les_src); + } + +#ifdef PELEC_USE_MASA + // optional MMS source + if (do_mms) { + src_list.push_back(mms_src); + } +#endif +} diff --git a/SourceCpp/Sources.cpp b/SourceCpp/Sources.cpp new file mode 100644 index 000000000..7a8088b00 --- /dev/null +++ b/SourceCpp/Sources.cpp @@ -0,0 +1,91 @@ +#include "PeleC.H" +#include "IndexDefines.H" + +void +PeleC::construct_old_source( + int src, + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle) +{ + AMREX_ASSERT(src >= 0 && src < num_src); + + switch (src) { + + case ext_src: + construct_old_ext_source(time, dt); + break; + + case les_src: + construct_old_les_source(time, dt, sub_iteration, sub_ncycle); + break; + + case forcing_src: + construct_old_forcing_source(time, dt); + break; + +#ifdef PELEC_USE_MASA + case mms_src: + construct_old_mms_source(time); + break; +#endif + } // end switch +} + +void +PeleC::construct_new_source( + int src, + amrex::Real time, + amrex::Real dt, + int amr_iteration, + int amr_ncycle, + int sub_iteration, + int sub_ncycle) +{ + AMREX_ASSERT(src >= 0 && src < num_src); + + switch (src) { + + case ext_src: + construct_new_ext_source(time, dt); + break; + + case les_src: + construct_new_les_source(time, dt, sub_iteration, sub_ncycle); + break; + + case forcing_src: + construct_new_forcing_source(time, dt); + break; + +#ifdef PELEC_USE_MASA + case mms_src: + construct_new_mms_source(time); + break; +#endif + } // end switch +} + +// Obtain the sum of all source terms. +void +PeleC::sum_of_sources(amrex::MultiFab& source) +{ + int ng = source.nGrow(); + + source.setVal(0.0); + + for (int n = 0; n < src_list.size(); ++n) { + amrex::MultiFab::Add(source, *old_sources[src_list[n]], 0, 0, NVAR, ng); + } + + if (do_hydro) { + amrex::MultiFab::Add(source, hydro_source, 0, 0, NVAR, ng); + } + + for (int n = 0; n < src_list.size(); ++n) { + amrex::MultiFab::Add(source, *new_sources[src_list[n]], 0, 0, NVAR, ng); + } +} diff --git a/SourceCpp/SparseData.H b/SourceCpp/SparseData.H new file mode 100644 index 000000000..d61e7c0bf --- /dev/null +++ b/SourceCpp/SparseData.H @@ -0,0 +1,154 @@ +#ifndef _SparseData_H_ +#define _SparseData_H_ + +#include + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +int +getIndex(const int i, const int comp, const int size) +{ + return comp * size + i; +} + +/// +/** + SparseData is a templated data holder defined over a vector of Cell objects. +*/ +template +class SparseData +{ +public: + typedef T value_type; + SparseData() {} + + ~SparseData(); + + /// + /** + Defining constructor. Specifies the irregular domain + and the number of data components per index. The + contents are uninitialized. Calls full define function. + */ + SparseData(const amrex::Gpu::DeviceVector& region, int nComp); + + /// + /** + Full define function. Specifies the irregular domain and the + number of data components per index. The contents + are uninitialized. If it has previously been defined, the old definition + data is overwritten and lost. + */ + void define(const amrex::Gpu::DeviceVector& region, int nComp); + + AMREX_FORCE_INLINE T* dataPtr(int comp = 0) + { + return &(m_data.data()[getIndex(0, comp, m_region_size)]); + } + + const T* dataPtr(int comp = 0) const + { + return &(m_data.data()[getIndex(0, comp, m_region_size)]); + } + + void setVal(const T& val); + + void setVal(const T& val, int comp, int ncomp = 1); + + void merge( + const SparseData& thdlocal, + int comp, + int ncomp, + const amrex::Gpu::DeviceVector mask); + + int numPts() const { return m_region_size; } + + int nComp() const { return m_ncomp; } + +private: + int m_ncomp = 0; + int m_region_size = 0; + amrex::Gpu::DeviceVector m_region; + amrex::Gpu::DeviceVector m_data; +}; + +template +AMREX_FORCE_INLINE +SparseData::SparseData( + const amrex::Gpu::DeviceVector& _region, int _nComp) +{ + define(_region, _nComp); + amrex::Print() << "Init SparseData with ncomp = " << _nComp << std::endl; +} + +template +AMREX_FORCE_INLINE SparseData::~SparseData() +{ + m_data.clear(); + m_ncomp = 0; + m_region.clear(); + m_region_size = 0; +} + +template +AMREX_FORCE_INLINE void +SparseData::define( + const amrex::Gpu::DeviceVector& _region, int _nComp) +{ + // Note, could use ref/ptr but dangerous, however this copy might be expensive + m_region = _region; + m_region_size = m_region.size(); + m_ncomp = _nComp; + m_data.resize(numPts() * m_ncomp); +} + +template +AMREX_FORCE_INLINE void +SparseData::setVal(const T& val) +{ + for (int i = 0; i < m_ncomp; ++i) { + setVal(val, i); + } +} + +template +AMREX_FORCE_INLINE void +SparseData::setVal(const T& val, int comp, int ncomp) +{ + AMREX_ASSERT(comp + ncomp <= m_ncomp); + auto* d_m_data = m_data.data(); + const int captured_m_region_size = m_region_size; + amrex::ParallelFor(m_region_size, [=] AMREX_GPU_DEVICE(int i) { + for (int n = 0; n < ncomp; ++n) { + d_m_data[getIndex(i, comp + n, captured_m_region_size)] = val; + } + }); +} + +template +AMREX_FORCE_INLINE void +SparseData::merge( + const SparseData& thdlocal, + int comp, + int ncomp, + const amrex::Gpu::DeviceVector mask) +{ + AMREX_ASSERT(comp + ncomp <= m_ncomp); + const int captured_m_region_size = m_region_size; + auto* d_data = m_data.data(); + auto* d_thdlocal_data = thdlocal.m_data.data(); + auto* d_mask = mask.data(); + amrex::ParallelFor(captured_m_region_size, [=] AMREX_GPU_DEVICE(int i) { + if (d_mask[i]) { + for (int n = 0; n < ncomp; ++n) { +#ifdef _OPENMP +#pragma omp atomic write +#endif + d_data[getIndex(i, comp + n, captured_m_region_size)] = + d_thdlocal_data[getIndex(i, comp + n, captured_m_region_size)]; + } + } + }); +} + +#endif diff --git a/SourceCpp/SumIQ.cpp b/SourceCpp/SumIQ.cpp new file mode 100644 index 000000000..d33e6d9e0 --- /dev/null +++ b/SourceCpp/SumIQ.cpp @@ -0,0 +1,138 @@ +#include + +#include "PeleC.H" + +void +PeleC::sum_integrated_quantities() +{ + BL_PROFILE("PeleC::sum_integrated_quantities()"); + + if (verbose <= 0) + return; + + bool local_flag = true; + + int finest_level = parent->finestLevel(); + amrex::Real time = state[State_Type].curTime(); + amrex::Real mass = 0.0; + amrex::Real mom[3] = {0.0}; + amrex::Real rho_e = 0.0; + amrex::Real rho_K = 0.0; + amrex::Real rho_E = 0.0; + amrex::Real enstr = 0.0; + amrex::Real fuel_prod = 0; + amrex::Real temp = 0; + int datwidth = 14; + int datprecision = 6; + + for (int lev = 0; lev <= finest_level; lev++) { + PeleC& pc_lev = getLevel(lev); + + mass += pc_lev.volWgtSum("density", time, local_flag); + mom[0] += pc_lev.volWgtSum("xmom", time, local_flag); + mom[1] += pc_lev.volWgtSum("ymom", time, local_flag); + mom[2] += pc_lev.volWgtSum("zmom", time, local_flag); + rho_e += pc_lev.volWgtSum("rho_e", time, local_flag); + rho_K += pc_lev.volWgtSum("kineng", time, local_flag); + rho_E += pc_lev.volWgtSum("rho_E", time, local_flag); + enstr += pc_lev.volWgtSum("enstrophy", time, local_flag); + + if (fuel_name != "") { + fuel_prod += pc_lev.volWgtSum("rho_omega_" + fuel_name, time, local_flag); + } + + temp += pc_lev.volWgtSum("Temp", time, local_flag); + } + + if (verbose > 0) { + const int nfoo = 10; + amrex::Real foo[nfoo] = {mass, mom[0], mom[1], mom[2], rho_e, + rho_K, rho_E, enstr, fuel_prod, temp}; +#ifdef AMREX_LAZY + Lazy::QueueReduction([=]() mutable { +#endif + amrex::ParallelDescriptor::ReduceRealSum( + foo, nfoo, amrex::ParallelDescriptor::IOProcessorNumber()); + + if (amrex::ParallelDescriptor::IOProcessor()) { + int i = 0; + mass = foo[i++]; + mom[0] = foo[i++]; + mom[1] = foo[i++]; + mom[2] = foo[i++]; + rho_e = foo[i++]; + rho_K = foo[i++]; + rho_E = foo[i++]; + enstr = foo[i++]; + fuel_prod = foo[i++]; + temp = foo[i++]; + + amrex::Print() << '\n'; + amrex::Print() << "TIME= " << time << " MASS = " << mass << '\n'; + amrex::Print() << "TIME= " << time << " XMOM = " << mom[0] + << '\n'; + amrex::Print() << "TIME= " << time << " YMOM = " << mom[1] + << '\n'; + amrex::Print() << "TIME= " << time << " ZMOM = " << mom[2] + << '\n'; + amrex::Print() << "TIME= " << time << " RHO*e = " << rho_e + << '\n'; + amrex::Print() << "TIME= " << time << " RHO*K = " << rho_K + << '\n'; + amrex::Print() << "TIME= " << time << " RHO*E = " << rho_E + << '\n'; + amrex::Print() << "TIME= " << time << " ENSTROPHY = " << enstr + << '\n'; + amrex::Print() << "TIME= " << time << " FUEL PROD = " << fuel_prod + << '\n'; + amrex::Print() << "TIME= " << time << " TEMP = " << temp << '\n'; + + if (parent->NumDataLogs() > 0) { + std::ostream& data_log1 = parent->DataLog(0); + if (data_log1.good()) { + if (time == 0.0) { + data_log1 << std::setw(datwidth) << " time"; + data_log1 << std::setw(datwidth) << " mass"; + data_log1 << std::setw(datwidth) << " xmom"; + data_log1 << std::setw(datwidth) << " ymom"; + data_log1 << std::setw(datwidth) << " zmom"; + data_log1 << std::setw(datwidth) << " rho_K"; + data_log1 << std::setw(datwidth) << " rho_e"; + data_log1 << std::setw(datwidth) << " rho_E"; + data_log1 << std::setw(datwidth) << " enstr"; + data_log1 << std::setw(datwidth) << " fuel_prod"; + data_log1 << std::setw(datwidth) << " temp"; + data_log1 << std::endl; + } + + // Write the quantities at this time + data_log1 << std::setw(datwidth) << time; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << mass; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << mom[0]; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << mom[1]; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << mom[2]; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << rho_K; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << rho_e; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << rho_E; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << enstr; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << fuel_prod; + data_log1 << std::setw(datwidth) << std::setprecision(datprecision) + << temp; + data_log1 << std::endl; + } + } + } +#ifdef AMREX_LAZY + }); +#endif + } +} diff --git a/SourceCpp/SumUtils.cpp b/SourceCpp/SumUtils.cpp new file mode 100644 index 000000000..0fb23ad7c --- /dev/null +++ b/SourceCpp/SumUtils.cpp @@ -0,0 +1,172 @@ +#include + +#include "PeleC.H" + +amrex::Real +PeleC::sumDerive(const std::string& name, amrex::Real time, bool local) +{ +#ifdef PELEC_USE_EB + amrex::Abort("sumDerive undefined for EB"); +#endif + + amrex::Real sum = 0.0; + auto mf = derive(name, time, 0); + + AMREX_ASSERT(!(mf == 0)); + + if (level < parent->finestLevel()) { + const amrex::MultiFab& mask = getLevel(level + 1).build_fine_mask(); + amrex::MultiFab::Multiply(*mf, mask, 0, 0, 1, 0); + } + +#ifdef _OPENMP +#pragma omp parallel if (amrex::Gpu::notInLaunchRegion()) reduction(+ : sum) +#endif + { + for (amrex::MFIter mfi(*mf, amrex::TilingIfNotGPU()); mfi.isValid(); + ++mfi) { + sum += (*mf)[mfi].sum(mfi.tilebox(), 0); + } + } + + if (!local) + amrex::ParallelDescriptor::ReduceRealSum(sum); + + return sum; +} + +amrex::Real +PeleC::volWgtSum( + const std::string& name, amrex::Real time, bool local, bool finemask) +{ + BL_PROFILE("PeleC::volWgtSum()"); + + amrex::Real sum = 0.0; + const amrex::Real* dx = geom.CellSize(); + auto mf = derive(name, time, 0); + + AMREX_ASSERT(mf != 0); + + if (level < parent->finestLevel() && finemask) { + const amrex::MultiFab& mask = getLevel(level + 1).build_fine_mask(); + amrex::MultiFab::Multiply(*mf, mask, 0, 0, 1, 0); + } + +#ifdef PELEC_USE_EB + amrex::MultiFab::Multiply(*mf, vfrac, 0, 0, 1, 0); +#endif + + sum = amrex::MultiFab::Dot(*mf, 0, volume, 0, 1, 0, local); + + if (!local) + amrex::ParallelDescriptor::ReduceRealSum(sum); + + return sum; +} + +amrex::Real +PeleC::volWgtSquaredSum(const std::string& name, amrex::Real time, bool local) +{ + BL_PROFILE("PeleC::volWgtSquaredSum()"); + + amrex::Real sum = 0.0; + const amrex::Real* dx = geom.CellSize(); + auto mf = derive(name, time, 0); + + AMREX_ASSERT(mf != 0); + + if (level < parent->finestLevel()) { + const amrex::MultiFab& mask = getLevel(level + 1).build_fine_mask(); + amrex::MultiFab::Multiply(*mf, mask, 0, 0, 1, 0); + } + +#ifdef PELEC_USE_EB + amrex::MultiFab::Multiply(*mf, vfrac, 0, 0, 1, 0); +#endif + + amrex::MultiFab::Multiply(*mf, *mf, 0, 0, 1, 0); + sum = amrex::MultiFab::Dot(*mf, 0, volume, 0, 1, 0, local); + + if (!local) + amrex::ParallelDescriptor::ReduceRealSum(sum); + + return sum; +} + +amrex::Real +PeleC ::volWgtSquaredSumDiff(int comp, amrex::Real time, bool local) +{ + + // Calculate volume weighted sum of the square of the difference + // between the old and new quantity + + amrex::Real sum = 0.0; + const amrex::Real* dx = geom.CellSize(); + amrex::MultiFab& S_old = get_old_data(State_Type); + amrex::MultiFab& S_new = get_new_data(State_Type); + amrex::MultiFab diff(grids, dmap, 1, 0); + + // Calculate the difference between the states + amrex::MultiFab::Copy(diff, S_old, comp, 0, 1, 0); + amrex::MultiFab::Subtract(diff, S_new, comp, 0, 1, 0); + + if (level < parent->finestLevel()) { + const amrex::MultiFab& mask = getLevel(level + 1).build_fine_mask(); + amrex::MultiFab::Multiply(diff, mask, 0, 0, 1, 0); + } + +#ifdef PELEC_USE_EB + amrex::MultiFab::Multiply(diff, vfrac, 0, 0, 1, 0); +#endif + + amrex::MultiFab::Multiply(diff, diff, 0, 0, 1, 0); + sum = amrex::MultiFab::Dot(diff, 0, volume, 0, 1, 0, local); + + if (!local) + amrex::ParallelDescriptor::ReduceRealSum(sum); + + return sum; +} + +amrex::Real +PeleC::volWgtSumMF( + const amrex::MultiFab& mf, int comp, bool local, bool finemask) +{ + BL_PROFILE("PeleC::volWgtSumMF()"); + + amrex::Real sum = 0.0; + const amrex::Real* dx = geom.CellSize(); + amrex::MultiFab vol(grids, dmap, 1, 0); + amrex::MultiFab::Copy(vol, mf, comp, 0, 1, 0); + + if (level < parent->finestLevel() && finemask) { + const amrex::MultiFab& mask = getLevel(level + 1).build_fine_mask(); + amrex::MultiFab::Multiply(vol, mask, 0, 0, 1, 0); + } + +#ifdef PELEC_USE_EB + amrex::MultiFab::Multiply(vol, vfrac, 0, 0, 1, 0); +#endif + + sum = amrex::MultiFab::Dot(vol, 0, volume, 0, 1, 0, local); + + if (!local) + amrex::ParallelDescriptor::ReduceRealSum(sum); + + return sum; +} + +amrex::Real +PeleC::maxDerive(const std::string& name, amrex::Real time, bool local) +{ + auto mf = derive(name, time, 0); + + BL_ASSERT(!(mf == 0)); + + if (level < parent->finestLevel()) { + const amrex::MultiFab& mask = getLevel(level + 1).build_fine_mask(); + amrex::MultiFab::Multiply(*mf, mask, 0, 0, 1, 0); + } + + return mf->max(0, 0, local); +} diff --git a/SourceCpp/Tagging.H b/SourceCpp/Tagging.H new file mode 100644 index 000000000..c3ffcdd23 --- /dev/null +++ b/SourceCpp/Tagging.H @@ -0,0 +1,154 @@ +#ifndef _TAGGING_H_ +#define _TAGGING_H_ + +#include + +#include +#include + +namespace TaggingParm { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real denerr; +extern AMREX_GPU_DEVICE_MANAGED int max_denerr_lev; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real dengrad; +extern AMREX_GPU_DEVICE_MANAGED int max_dengrad_lev; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real presserr; +extern AMREX_GPU_DEVICE_MANAGED int max_presserr_lev; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real pressgrad; +extern AMREX_GPU_DEVICE_MANAGED int max_pressgrad_lev; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real velerr; +extern AMREX_GPU_DEVICE_MANAGED int max_velerr_lev; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real velgrad; +extern AMREX_GPU_DEVICE_MANAGED int max_velgrad_lev; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real vorterr; +extern AMREX_GPU_DEVICE_MANAGED int max_vorterr_lev; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real temperr; +extern AMREX_GPU_DEVICE_MANAGED int max_temperr_lev; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real tempgrad; +extern AMREX_GPU_DEVICE_MANAGED int max_tempgrad_lev; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real ftracerr; +extern AMREX_GPU_DEVICE_MANAGED int max_ftracerr_lev; +extern AMREX_GPU_DEVICE_MANAGED amrex::Real ftracgrad; +extern AMREX_GPU_DEVICE_MANAGED int max_ftracgrad_lev; + +extern AMREX_GPU_DEVICE_MANAGED amrex::Real vfracerr; +extern AMREX_GPU_DEVICE_MANAGED int max_vfracerr_lev; +} // namespace TaggingParm + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +void +tag_error( + const int i, + const int j, + const int k, + amrex::Array4 const& tag, + amrex::Array4 const& field, + const amrex::Real fielderr, + char tagval) noexcept +{ + // Tag on regions of high field values + if (field(i, j, k) >= fielderr) { + tag(i, j, k) = tagval; + } +} + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +void +tag_graderror( + const int i, + const int j, + const int k, + amrex::Array4 const& tag, + amrex::Array4 const& field, + const amrex::Real fieldgrad, + char tagval) noexcept +{ + // Tag on regions of high field gradient + AMREX_D_TERM( + amrex::Real ax = amrex::Math::abs(field(i + 1, j, k) - field(i, j, k)); + ax = amrex::max(ax, amrex::Math::abs(field(i, j, k) - field(i - 1, j, k))); + , amrex::Real ay = amrex::Math::abs(field(i, j + 1, k) - field(i, j, k)); + ay = amrex::max(ay, amrex::Math::abs(field(i, j, k) - field(i, j - 1, k))); + amrex::Real az = amrex::Math::abs(field(i, j, k + 1) - field(i, j, k)); + , + az = amrex::max(az, amrex::Math::abs(field(i, j, k) - field(i, j, k - 1)));) +#if AMREX_SPACEDIM > 1 + if (amrex::max(AMREX_D_DECL(ax, ay, az)) >= fieldgrad) +#elif AMREX_SPACEDIM == 1 + if (ax >= fieldgrad) +#endif + { + tag(i, j, k) = tagval; + } +} + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +void +tag_abserror( + const int i, + const int j, + const int k, + amrex::Array4 const& tag, + amrex::Array4 const& field, + const amrex::Real fielderr, + char tagval) noexcept +{ + // Tag on regions of high field values + if (amrex::Math::abs(field(i, j, k)) >= fielderr) { + tag(i, j, k) = tagval; + } +} + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +void +tag_error_bounds( + const int i, + const int j, + const int k, + amrex::Array4 const& tag, + amrex::Array4 const& field, + const amrex::Real lbnd, + const amrex::Real ubnd, + char tagval) noexcept +{ + // Tag on regions inside bounds + if ((lbnd < field(i, j, k)) and (field(i, j, k) < ubnd)) { + tag(i, j, k) = tagval; + } +} + +struct EmptyProbTagStruct +{ + AMREX_GPU_HOST_DEVICE + AMREX_FORCE_INLINE + static void set_problem_tags( + const int i, + const int j, + const int k, + amrex::Array4 const& tag, + amrex::Array4 const& field, + char tagval, + const amrex::GpuArray dx, + const amrex::GpuArray prob_lo, + const amrex::Real time, + const int level) noexcept + { + } +}; + +template +AMREX_GPU_HOST_DEVICE AMREX_FORCE_INLINE void +set_problem_tags(Args&&... args) +{ + ProbTagStruct::set_problem_tags(std::forward(args)...); +} + +#endif diff --git a/SourceCpp/Tagging.cpp b/SourceCpp/Tagging.cpp new file mode 100644 index 000000000..598264f21 --- /dev/null +++ b/SourceCpp/Tagging.cpp @@ -0,0 +1,74 @@ +#include + +#include "PeleC.H" +#include "Tagging.H" + +namespace TaggingParm { +AMREX_GPU_DEVICE_MANAGED amrex::Real denerr = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_denerr_lev = 10; +AMREX_GPU_DEVICE_MANAGED amrex::Real dengrad = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_dengrad_lev = 10; + +AMREX_GPU_DEVICE_MANAGED amrex::Real presserr = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_presserr_lev = 10; +AMREX_GPU_DEVICE_MANAGED amrex::Real pressgrad = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_pressgrad_lev = 10; + +AMREX_GPU_DEVICE_MANAGED amrex::Real velerr = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_velerr_lev = 10; +AMREX_GPU_DEVICE_MANAGED amrex::Real velgrad = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_velgrad_lev = 10; + +AMREX_GPU_DEVICE_MANAGED amrex::Real vorterr = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_vorterr_lev = 10; + +AMREX_GPU_DEVICE_MANAGED amrex::Real temperr = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_temperr_lev = 10; +AMREX_GPU_DEVICE_MANAGED amrex::Real tempgrad = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_tempgrad_lev = 10; + +AMREX_GPU_DEVICE_MANAGED amrex::Real ftracerr = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_ftracerr_lev = 10; +AMREX_GPU_DEVICE_MANAGED amrex::Real ftracgrad = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_ftracgrad_lev = 10; + +AMREX_GPU_DEVICE_MANAGED amrex::Real vfracerr = 1.0e10; +AMREX_GPU_DEVICE_MANAGED int max_vfracerr_lev = 10; +} // namespace TaggingParm + +void +PeleC::read_tagging_params() +{ + amrex::ParmParse pp("tagging"); + + pp.query("denerr", TaggingParm::denerr); + pp.query("max_denerr_lev", TaggingParm::max_denerr_lev); + pp.query("dengrad", TaggingParm::dengrad); + pp.query("max_dengrad_lev", TaggingParm::max_dengrad_lev); + + pp.query("presserr", TaggingParm::presserr); + pp.query("max_presserr_lev", TaggingParm::max_presserr_lev); + pp.query("pressgrad", TaggingParm::pressgrad); + pp.query("max_pressgrad_lev", TaggingParm::max_pressgrad_lev); + + pp.query("velerr", TaggingParm::velerr); + pp.query("max_velerr_lev", TaggingParm::max_velerr_lev); + pp.query("velgrad", TaggingParm::velgrad); + pp.query("max_velgrad_lev", TaggingParm::max_velgrad_lev); + + pp.query("vorterr", TaggingParm::vorterr); + pp.query("max_vorterr_lev", TaggingParm::max_vorterr_lev); + + pp.query("temperr", TaggingParm::temperr); + pp.query("max_temperr_lev", TaggingParm::max_temperr_lev); + pp.query("tempgrad", TaggingParm::tempgrad); + pp.query("max_tempgrad_lev", TaggingParm::max_tempgrad_lev); + + pp.query("ftracerr", TaggingParm::ftracerr); + pp.query("max_ftracerr_lev", TaggingParm::max_ftracerr_lev); + pp.query("ftracgrad", TaggingParm::ftracgrad); + pp.query("max_ftracgrad_lev", TaggingParm::max_ftracgrad_lev); + + pp.query("vfracerr", TaggingParm::vfracerr); + pp.query("max_vfracerr_lev", TaggingParm::max_vfracerr_lev); +} diff --git a/SourceCpp/Timestep.H b/SourceCpp/Timestep.H new file mode 100644 index 000000000..00b6304e6 --- /dev/null +++ b/SourceCpp/Timestep.H @@ -0,0 +1,98 @@ +#ifndef _TIMESTEP_H_ +#define _TIMESTEP_H_ + +#include +#ifdef PELEC_USE_EB +#include +#include +#endif + +#include "EOS.H" +#include "IndexDefines.H" +#include "Constants.H" +#include "Transport.H" + +// EstDt routines + +namespace TimeStep { +extern AMREX_GPU_DEVICE_MANAGED amrex::Real max_dt; +} // namespace TimeStep + +AMREX_GPU_HOST_DEVICE +AMREX_FORCE_INLINE +void +pc_trans4dt( + const int which_trans, + amrex::Real T, + amrex::Real rho, + amrex::Real massfrac[], + amrex::Real& D) +{ + bool get_xi = false, get_mu = false, get_lam = false, get_Ddiag = false; + amrex::Real dum1 = 0., dum2 = 0.; + + if (which_trans == 0) { + get_mu = true; + transport( + get_xi, get_mu, get_lam, get_Ddiag, T, rho, massfrac, nullptr, D, dum1, + dum2); + } else if (which_trans == 1) { + get_lam = true; + transport( + get_xi, get_mu, get_lam, get_Ddiag, T, rho, massfrac, nullptr, dum1, dum2, + D); + } +} + +AMREX_GPU_HOST_DEVICE +amrex::Real pc_estdt_hydro( + amrex::Box const& bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept; + +// Diffusion Velocity +AMREX_GPU_HOST_DEVICE +amrex::Real pc_estdt_veldif( + amrex::Box const bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept; + +// Diffusion Temperature +AMREX_GPU_HOST_DEVICE +amrex::Real pc_estdt_tempdif( + amrex::Box const bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept; + +// Diffusion Enthalpy +AMREX_GPU_HOST_DEVICE +amrex::Real pc_estdt_enthdif( + amrex::Box const bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept; + +#endif diff --git a/SourceCpp/Timestep.cpp b/SourceCpp/Timestep.cpp new file mode 100644 index 000000000..0b4ca8f8b --- /dev/null +++ b/SourceCpp/Timestep.cpp @@ -0,0 +1,197 @@ +#include "Timestep.H" + +// EstDt routines +namespace TimeStep { +#if !defined(__CUDACC__) || (__CUDACC_VER_MAJOR__ != 9) || \ + (__CUDACC_VER_MINOR__ != 2) +AMREX_GPU_DEVICE_MANAGED amrex::Real max_dt = + std::numeric_limits::max(); +#else +AMREX_GPU_DEVICE_MANAGED amrex::Real max_dt = 1.e37; +#endif +} // namespace TimeStep + +AMREX_GPU_HOST_DEVICE +amrex::Real +pc_estdt_hydro( + amrex::Box const& bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept +{ + amrex::Real dt = TimeStep::max_dt; + + amrex::Loop(bx, [=, &dt](int i, int j, int k) { +#ifdef PELEC_USE_EB + if (not flags(i, j, k).isCovered()) { +#endif + const amrex::Real rho = u(i, j, k, URHO); + const amrex::Real rhoInv = 1.0 / rho; + amrex::Real T = u(i, j, k, UTEMP); + amrex::Real massfrac[NUM_SPECIES]; + amrex::Real c; + for (int n = 0; n < NUM_SPECIES; ++n) + massfrac[n] = u(i, j, k, UFS + n) * rhoInv; + EOS::RTY2Cs(rho, T, massfrac, c); + AMREX_D_TERM(const amrex::Real ux = u(i, j, k, UMX) * rhoInv; + const amrex::Real dt1 = dx / (c + amrex::Math::abs(ux)); + dt = amrex::min(dt, dt1); + , const amrex::Real uy = u(i, j, k, UMY) * rhoInv; + const amrex::Real dt2 = dy / (c + amrex::Math::abs(uy)); + dt = amrex::min(dt, dt2); + , const amrex::Real uz = u(i, j, k, UMZ) * rhoInv; + const amrex::Real dt3 = dz / (c + amrex::Math::abs(uz)); + dt = amrex::min(dt, dt3);); +#ifdef PELEC_USE_EB + } +#endif + }); + return dt; +} + +// Diffusion Velocity +AMREX_GPU_HOST_DEVICE +amrex::Real +pc_estdt_veldif( + amrex::Box const bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept +{ + amrex::Real dt = TimeStep::max_dt; + int which_trans = 0; + + amrex::Loop(bx, [=, &dt](int i, int j, int k) { +#ifdef PELEC_USE_EB + if (not flags(i, j, k).isCovered()) { +#endif + const amrex::Real rho = u(i, j, k, URHO); + const amrex::Real rhoInv = 1.0 / rho; + amrex::Real massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; ++n) { + massfrac[n] = u(i, j, k, n + UFS) * rhoInv; + } + amrex::Real T = u(i, j, k, UTEMP); + amrex::Real D = 0.0; + pc_trans4dt(which_trans, T, rho, massfrac, D); + D *= rhoInv; + if (D == 0.0) + D = SMALL; + AMREX_D_TERM( + const amrex::Real dt1 = 0.5 * dx * dx / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt1); + , const amrex::Real dt2 = 0.5 * dy * dy / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt2); + , const amrex::Real dt3 = 0.5 * dz * dz / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt3);); +#ifdef PELEC_USE_EB + } +#endif + }); + return dt; +} + +// Diffusion Temperature +AMREX_GPU_HOST_DEVICE +amrex::Real +pc_estdt_tempdif( + amrex::Box const bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept +{ + amrex::Real dt = TimeStep::max_dt; + int which_trans = 1; + + amrex::Loop(bx, [=, &dt](int i, int j, int k) { +#ifdef PELEC_USE_EB + if (not flags(i, j, k).isCovered()) { +#endif + const amrex::Real rho = u(i, j, k, URHO); + const amrex::Real rhoInv = 1.0 / rho; + amrex::Real massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; ++n) + massfrac[n] = u(i, j, k, n + UFS) * rhoInv; + amrex::Real T = u(i, j, k, UTEMP); + amrex::Real D = 0.0; + pc_trans4dt(which_trans, T, rho, massfrac, D); + amrex::Real cv; + EOS::TY2Cv(T, massfrac, cv); + D *= rhoInv / cv; + if (D == 0.0) + D = SMALL; + AMREX_D_TERM( + const amrex::Real dt1 = 0.5 * dx * dx / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt1); + , const amrex::Real dt2 = 0.5 * dy * dy / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt2); + , const amrex::Real dt3 = 0.5 * dz * dz / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt3);); +#ifdef PELEC_USE_EB + } +#endif + }); + return dt; +} + +// Diffusion Enthalpy +AMREX_GPU_HOST_DEVICE +amrex::Real +pc_estdt_enthdif( + amrex::Box const bx, + const amrex::Array4& u, +#ifdef PELEC_USE_EB + const amrex::Array4& flags, +#endif + AMREX_D_DECL( + const amrex::Real& dx, + const amrex::Real& dy, + const amrex::Real& dz)) noexcept +{ + amrex::Real dt = TimeStep::max_dt; + int which_trans = 1; + + amrex::Loop(bx, [=, &dt](int i, int j, int k) { +#ifdef PELEC_USE_EB + if (not flags(i, j, k).isCovered()) { +#endif + const amrex::Real rho = u(i, j, k, URHO); + const amrex::Real rhoInv = 1.0 / rho; + amrex::Real massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; ++n) + massfrac[n] = u(i, j, k, n + UFS) * rhoInv; + amrex::Real T = u(i, j, k, UTEMP); + amrex::Real cp; + EOS::TY2Cp(T, massfrac, cp); + amrex::Real D; + pc_trans4dt(which_trans, T, rho, massfrac, D); + D *= rhoInv / cp; + AMREX_D_TERM( + const amrex::Real dt1 = 0.5 * dx * dx / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt1); + , const amrex::Real dt2 = 0.5 * dy * dy / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt2); + , const amrex::Real dt3 = 0.5 * dz * dz / (AMREX_SPACEDIM * D); + dt = amrex::min(dt, dt3);); + +#ifdef PELEC_USE_EB + } +#endif + }); + return dt; +} diff --git a/SourceCpp/Utilities.H b/SourceCpp/Utilities.H new file mode 100644 index 000000000..75db9c389 --- /dev/null +++ b/SourceCpp/Utilities.H @@ -0,0 +1,289 @@ +#ifndef _UTILITIES_H_ +#define _UTILITIES_H_ + +#include +#include "Constants.H" +#include "IndexDefines.H" +#include "EOS.H" + +AMREX_GPU_DEVICE +void pc_cmpTemp( + const int i, const int j, const int k, amrex::Array4 const& S); + +AMREX_GPU_DEVICE +void pc_rst_int_e( + const int i, const int j, const int k, amrex::Array4 const& S); + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_ctoprim( + const int i, + const int j, + const int k, + amrex::Array4 const& u, + amrex::Array4 const& q, + amrex::Array4 const& qa) +{ + const amrex::Real rho = u(i, j, k, URHO); + const amrex::Real rhoinv = 1.0 / rho; + const amrex::Real vx = u(i, j, k, UMX) * rhoinv; + const amrex::Real vy = u(i, j, k, UMY) * rhoinv; + const amrex::Real vz = u(i, j, k, UMZ) * rhoinv; + const amrex::Real kineng = 0.5 * rho * (vx * vx + vy * vy + vz * vz); + q(i, j, k, QRHO) = rho; + q(i, j, k, QU) = vx; + q(i, j, k, QV) = vy; + q(i, j, k, QW) = vz; + for (int ipassive = 0; ipassive < NPASSIVE; ++ipassive) { + const int n = indxmap::upass_map(ipassive); + const int nq = indxmap::qpass_map(ipassive); + q(i, j, k, nq) = u(i, j, k, n) / rho; + } + + const amrex::Real e = (u(i, j, k, UEDEN) - kineng) * rhoinv; + amrex::Real T = u(i, j, k, UTEMP); + amrex::Real massfrac[NUM_SPECIES]; + // amrex::Real aux[NUM_AUX]; + for (int sp = 0; sp < NUM_SPECIES; ++sp) + massfrac[sp] = q(i, j, k, sp + QFS); + // for(int ax = 0; ax < NUM_AUX; ++ax) aux[ax] = q(i,j,k,ax+QFX); + amrex::Real dpdr_e, dpde, gam1, cs, wbar, p; + + // Are all these EOS calls needed? Seems fairly convoluted. + EOS::Y2WBAR(massfrac, wbar); + EOS::EY2T(e, massfrac, T); + EOS::RTY2P(rho, T, massfrac, p); + EOS::RTY2Cs(rho, T, massfrac, cs); + EOS::TY2G(T, massfrac, gam1); + EOS::RPE2dpdr_e(rho, p, e, dpdr_e); + EOS::RG2dpde(rho, gam1, dpde); + + q(i, j, k, QTEMP) = T; + q(i, j, k, QREINT) = e * rho; + q(i, j, k, QPRES) = p; + q(i, j, k, QGAME) = p / (e * rho) + 1.0; + + // Auxilary Fab + qa(i, j, k, QDPDR) = dpdr_e; + qa(i, j, k, QDPDE) = dpde; + qa(i, j, k, QGAMC) = gam1; + qa(i, j, k, QC) = cs; + qa(i, j, k, QCSML) = amrex::max(SMALL, SMALL * cs); + qa(i, j, k, QRSPEC) = EOS::RU / wbar; +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_move_transcoefs_to_ec( + const int i, + const int j, + const int k, + const int n, + const amrex::Array4& carr, + amrex::Real* earr, + const int dir, + const int do_harmonic) + +{ + if (do_harmonic == 0) { + if (dir == 0) + earr[n] = 0.5 * (carr(i, j, k, n) + carr(i - 1, j, k, n)); + else if (dir == 1) + earr[n] = 0.5 * (carr(i, j, k, n) + carr(i, j - 1, k, n)); + else + earr[n] = 0.5 * (carr(i, j, k, n) + carr(i, j, k - 1, n)); + } else { + amrex::Real a = carr(i, j, k, n); + if (dir == 0) { + amrex::Real b = carr(i - 1, j, k, n); + if (a * b > 0.0) + earr[n] = 2.0 * (a * b) / (a + b); + else + earr[n] = 0.0; + } else if (dir == 1) { + amrex::Real b = carr(i, j - 1, k, n); + if (a * b > 0.0) + earr[n] = 2.0 * (a * b) / (a + b); + else + earr[n] = 0.0; + } else { + amrex::Real b = carr(i, j, k - 1, n); + if (a * b > 0.0) + earr[n] = 2.0 * (a * b) / (a + b); + else + earr[n] = 0.0; + } + } +} + +AMREX_FORCE_INLINE +void +setV( + const amrex::Box box, + const int Ncomp, + const amrex::Array4& array, + const amrex::Real val) +{ + amrex::ParallelFor( + box, Ncomp, [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + array(i, j, k, n) = val; + }); +} + +AMREX_FORCE_INLINE +void +setC( + const amrex::Box box, + const int Nstart, + const int Nend, + const amrex::Array4& array, + const amrex::Real val) +{ + amrex::ParallelFor(box, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + for (int n = Nstart; n < Nend; n++) + array(i, j, k, n) = val; + }); +} + +AMREX_FORCE_INLINE +void +copy_array4( + const amrex::Box box, + const int Ncomp, + const amrex::Array4& in, + const amrex::Array4& out) +{ + amrex::ParallelFor( + box, Ncomp, [=] AMREX_GPU_DEVICE(int i, int j, int k, int n) noexcept { + out(i, j, k, n) = in(i, j, k, n); + }); +} + +AMREX_FORCE_INLINE +void +lincomb_array4( + const amrex::Box box, + const int Nstart, + const int Nend, + const amrex::Array4& f1, + const amrex::Array4& f2, + const amrex::Real alpha, + const amrex::Real beta, + const amrex::Array4& d) +{ + amrex::ParallelFor(box, [=] AMREX_GPU_DEVICE(int i, int j, int k) noexcept { + for (int n = Nstart; n < Nend; n++) + d(i, j, k, n) = alpha * f1(i, j, k, n) + beta * f2(i, j, k, n); + }); +} + +AMREX_FORCE_INLINE +std::string +read_file(std::ifstream& in) +{ + return static_cast( + std::stringstream() << in.rdbuf()) + .str(); +} + +void read_binary( + const std::string iname, + const size_t nx, + const size_t ny, + const size_t nz, + const size_t ncol, + amrex::Vector& data); + +void read_csv( + const std::string iname, + const size_t nx, + const size_t ny, + const size_t nz, + amrex::Vector& data); + +AMREX_GPU_HOST_DEVICE +void locate(const amrex::Real* xtable, const int n, amrex::Real& x, int& idxlo); + +template +AMREX_GPU_DEVICE AMREX_FORCE_INLINE void +swap(T* x, T* y) +{ + T temp = *x; + *x = *y; + *y = temp; +} + +template +void +sort(T& vec) +{ + typename T::value_type* d_vec = vec.data(); + const int vec_size = vec.size(); + // Serial loop on the GPU + amrex::ParallelFor(1, [=] AMREX_GPU_DEVICE(int dummy) { + for (int i = 0; i < vec_size - 1; i++) { + for (int j = 0; j < vec_size - i - 1; j++) { + if (d_vec[j + 1] < d_vec[j]) { + swap(&d_vec[j], &d_vec[j + 1]); + } + } + } + }); +} + +// Return vector of unique elements in input. Assume input is sorted. This is +// device safe code +template +T +unique(T input) +{ + + typename T::value_type* d_input = input.data(); + const int input_size = input.size(); + if (input_size == 0) { + T output(input_size); + return output; + } + + // count the number of uniques + int init_val = 0; + amrex::Gpu::LaunchSafeGuard lsg(true); + amrex::Gpu::DeviceScalar ds(init_val); + int* dp = ds.dataPtr(); + amrex::VecReduce( + input.size() - 1, init_val, + [=] AMREX_GPU_DEVICE(int i, int* r) noexcept { + if (d_input[i] != d_input[i + 1]) { + *r += 1; + } + }, + [=] AMREX_GPU_DEVICE(int const& r) noexcept { + amrex::Gpu::deviceReduceSum(dp, r); + }); + const int Nunique = ds.dataValue() + 1; + + // allocate the memory + T output(Nunique); + if (output.size() == 0) { + return output; + } + typename T::value_type* d_output = output.data(); + + // get the uniques + amrex::ParallelFor(1, [=] AMREX_GPU_DEVICE(int dummy) { + int cnt = 1; + d_output[0] = d_input[0]; + for (int i = 0; i < input_size - 1; i++) { + if (d_input[i] != d_input[i + 1]) { + d_output[cnt] = d_input[i + 1]; + cnt++; + } + } + }); + + return output; +} + +#endif diff --git a/SourceCpp/Utilities.cpp b/SourceCpp/Utilities.cpp new file mode 100644 index 000000000..51cab8db6 --- /dev/null +++ b/SourceCpp/Utilities.cpp @@ -0,0 +1,154 @@ +#include "Utilities.H" + +AMREX_GPU_DEVICE +void +pc_cmpTemp( + const int i, const int j, const int k, amrex::Array4 const& S) +{ + amrex::Real rhoInv = 1.0 / S(i, j, k, URHO); + amrex::Real T = S(i, j, k, UTEMP); + amrex::Real e = S(i, j, k, UEINT) * rhoInv; + amrex::Real massfrac[NUM_SPECIES]; + for (int n = 0; n < NUM_SPECIES; ++n) { + massfrac[n] = S(i, j, k, UFS + n) * rhoInv; + } + EOS::EY2T(e, massfrac, T); + S(i, j, k, UTEMP) = T; +} + +AMREX_GPU_DEVICE +void +pc_rst_int_e( + const int i, const int j, const int k, amrex::Array4 const& S) +{ + amrex::Real rho = S(i, j, k, URHO); + amrex::Real u = S(i, j, k, UMX) / rho; + amrex::Real v = S(i, j, k, UMY) / rho; + amrex::Real w = S(i, j, k, UMZ) / rho; + amrex::Real ke = 0.5 * (u * u + v * v + w * w); + S(i, j, k, UEINT) = S(i, j, k, UEDEN) - rho * ke; +} + +// ----------------------------------------------------------- +// Read a binary file +// INPUTS/OUTPUTS: +// iname => filename +// nx => input resolution +// ny => input resolution +// nz => input resolution +// data <= output data +// ----------------------------------------------------------- +void +read_binary( + const std::string iname, + const size_t nx, + const size_t ny, + const size_t nz, + const size_t ncol, + amrex::Vector& data /*needs to be double*/) +{ + + std::ifstream infile(iname, std::ios::in | std::ios::binary); + if (not infile.is_open()) { + amrex::Abort("Unable to open input file " + iname); + } + + for (int i = 0; i < nx * ny * nz * ncol; i++) { + infile.read(reinterpret_cast(&data[i]), sizeof(data[i])); + } + infile.close(); +}; + +// ----------------------------------------------------------- +// Read a csv file +// INPUTS/OUTPUTS: +// iname => filename +// nx => input resolution +// ny => input resolution +// nz => input resolution +// data <= output data +// ----------------------------------------------------------- +void +read_csv( + const std::string iname, + const size_t nx, + const size_t ny, + const size_t nz, + amrex::Vector& data) +{ + std::ifstream infile(iname, std::ios::in); + const std::string memfile = read_file(infile); + if (not infile.is_open()) { + amrex::Abort("Unable to open input file " + iname); + } + infile.close(); + std::istringstream iss(memfile); + + // Read the file + int nlines = 0; + std::string firstline, line; + std::getline(iss, firstline); // skip header + while (getline(iss, line)) + ++nlines; + + // Quick sanity check + if (nlines != nx * ny * nz) + amrex::Abort( + "Number of lines in the input file (= " + std::to_string(nlines) + + ") does not match the input resolution (=" + std::to_string(nx) + ")"); + + // Read the data from the file + iss.clear(); + iss.seekg(0, std::ios::beg); + std::getline(iss, firstline); // skip header + int cnt = 0; + while (std::getline(iss, line)) { + std::istringstream linestream(line); + std::string value; + while (getline(linestream, value, ',')) { + std::istringstream sinput(value); + sinput >> data[cnt]; + cnt++; + } + } +}; + +// ----------------------------------------------------------- +// Search for the closest index in an array to a given value +// using the bisection technique. +// INPUTS/OUTPUTS: +// xtable(0:n-1) => array to search in (ascending order) +// n => array size +// x => x location +// idxlo <=> output st. xtable(idxlo) <= x < xtable(idxlo+1) +// ----------------------------------------------------------- +AMREX_GPU_HOST_DEVICE +void +locate(const amrex::Real* xtable, const int n, amrex::Real& x, int& idxlo) +{ + // If x is out of bounds, return boundary index + if (x >= xtable[n - 1]) { + idxlo = n - 1; + return; + } else if (x <= xtable[0]) { + idxlo = 0; + return; + } + + // Do the bisection + idxlo = 0; + int idxhi = n - 1; + bool notdone = true; + while (notdone) { + if (idxhi - idxlo <= 1) { + notdone = false; + } else { + const int idxmid = (idxhi + idxlo) / 2; + if (x >= xtable[idxmid]) { + idxlo = idxmid; + } else { + idxhi = idxmid; + } + } + } +}; diff --git a/SourceCpp/main.cpp b/SourceCpp/main.cpp new file mode 100644 index 000000000..7a53a25d9 --- /dev/null +++ b/SourceCpp/main.cpp @@ -0,0 +1,208 @@ +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#ifdef AMREX_USE_EB +#include +#endif + +#include "IO.H" +#include "PeleC.H" + +std::string inputs_name = ""; + +#ifdef PELEC_USE_EB +void initialize_EB2( + const amrex::Geometry& geom, const int required_level, const int max_level); +#endif + +int +main(int argc, char* argv[]) +{ + // Use this to trap NaNs in C++ + // feenableexcept(FE_DIVBYZERO | FE_INVALID | FE_OVERFLOW | FE_UNDERFLOW); + + if (argc <= 1) { + amrex::Abort("Error: no inputs file provided on command line."); + } + + // check to see if it contains --describe + if (argc >= 2) { + for (auto i = 1; i < argc; i++) { + if (std::string(argv[i]) == "--describe") { + PeleC::writeBuildInfo(std::cout); + return 0; + } + } + } + + // Make sure to catch new failures. + amrex::Initialize(argc, argv); + + // Save the inputs file name for later. + if (!strchr(argv[1], '=')) { + inputs_name = argv[1]; + } + + BL_PROFILE_VAR("main()", pmain); + + amrex::Real dRunTime1 = amrex::ParallelDescriptor::second(); + + amrex::Print() << std::setprecision(10); + + int max_step; + amrex::Real strt_time; + amrex::Real stop_time; + amrex::ParmParse pp; + + bool pause_for_debug = false; + pp.query("pause_for_debug", pause_for_debug); + if (pause_for_debug) { + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "Enter any string to continue" << std::endl; + std::string text; + std::cin >> text; + } + amrex::ParallelDescriptor::Barrier(); + } + + max_step = -1; + strt_time = 0.0; + stop_time = -1.0; + + pp.query("max_step", max_step); + pp.query("strt_time", strt_time); + pp.query("stop_time", stop_time); + + if (strt_time < 0.0) { + amrex::Abort("MUST SPECIFY a non-negative strt_time"); + } + + if (max_step < 0 && stop_time < 0.0) { + amrex::Abort( + "Exiting because neither max_step nor stop_time is non-negative."); + } + + // Print the current date and time + time_t time_type; + struct tm* time_pointer; + time(&time_type); + time_pointer = gmtime(&time_type); + + if (amrex::ParallelDescriptor::IOProcessor()) + amrex::Print() << std::setfill('0') << "\nStarting run at " << std::setw(2) + << time_pointer->tm_hour << ":" << std::setw(2) + << time_pointer->tm_min << ":" << std::setw(2) + << time_pointer->tm_sec << " UTC on " + << time_pointer->tm_year + 1900 << "-" << std::setw(2) + << time_pointer->tm_mon + 1 << "-" << std::setw(2) + << time_pointer->tm_mday << "." << std::endl; + + // Initialize random seed after we're running in parallel. + amrex::Amr* amrptr = new amrex::Amr; + +#if defined(AMREX_USE_EB) && !defined(PELEC_USE_EB) + amrex::Print() << "Initializing EB2 as all_regular because AMReX has EB " + "enabled, but PeleC does not" + << std::endl; + std::string geom_type("all_regular"); + amrex::EB2::Build( + amrptr->Geom(amrptr->maxLevel()), amrptr->maxLevel(), amrptr->maxLevel()); +#elif defined(AMREX_USE_EB) && defined(PELEC_USE_EB) + amrex::AmrLevel::SetEBSupportLevel( + amrex::EBSupport::full); // need both area and volume fractions + amrex::AmrLevel::SetEBMaxGrowCells( + 5, 5, + 5); // 5 focdr ebcellflags, 4 for vfrac, 2 is not used for EBSupport::volume + initialize_EB2( + amrptr->Geom(amrptr->maxLevel()), amrptr->maxLevel(), amrptr->maxLevel()); +#endif + + amrptr->init(strt_time, stop_time); + + // If we set the regrid_on_restart flag and if we are *not* going to take + // a time step then we want to go ahead and regrid here. + if ( + amrptr->RegridOnRestart() && + ((amrptr->levelSteps(0) >= max_step) || (amrptr->cumTime() >= stop_time))) { + // Regrid only! + amrptr->RegridOnly(amrptr->cumTime()); + } + + amrex::Real dRunTime2 = amrex::ParallelDescriptor::second(); + + while (amrptr->okToContinue() && + (amrptr->levelSteps(0) < max_step || max_step < 0) && + (amrptr->cumTime() < stop_time || stop_time < 0.0)) { + // Do a timestep + amrptr->coarseTimeStep(stop_time); + } + + // Write final checkpoint + if (amrptr->stepOfLastCheckPoint() < amrptr->levelSteps(0)) { + amrptr->checkPoint(); + } + + // Write final plotfile + if (amrptr->stepOfLastPlotFile() < amrptr->levelSteps(0)) { + amrptr->writePlotFile(); + } + + time(&time_type); + time_pointer = gmtime(&time_type); + + if (amrex::ParallelDescriptor::IOProcessor()) + amrex::Print() << std::setfill('0') << "\nEnding run at " << std::setw(2) + << time_pointer->tm_hour << ":" << std::setw(2) + << time_pointer->tm_min << ":" << std::setw(2) + << time_pointer->tm_sec << " UTC on " + << time_pointer->tm_year + 1900 << "-" << std::setw(2) + << time_pointer->tm_mon + 1 << "-" << std::setw(2) + << time_pointer->tm_mday << "." << std::endl; + + delete amrptr; + + // This MUST follow the above delete as ~Amr() may dump files to disk + const int IOProc = amrex::ParallelDescriptor::IOProcessorNumber(); + + amrex::Real dRunTime3 = amrex::ParallelDescriptor::second(); + + amrex::Real runtime_total = dRunTime3 - dRunTime1; + amrex::Real runtime_timestep = dRunTime3 - dRunTime2; + + amrex::ParallelDescriptor::ReduceRealMax(runtime_total, IOProc); + amrex::ParallelDescriptor::ReduceRealMax(runtime_timestep, IOProc); + + if (amrex::ParallelDescriptor::IOProcessor()) { + amrex::Print() << "Run time = " << runtime_total << std::endl; + amrex::Print() << "Run time w/o init = " << runtime_timestep << std::endl; + } + + if (amrex::CArena* arena = dynamic_cast(amrex::The_Arena())) { + // A barrier to make sure our output follows that of RunStats. + amrex::ParallelDescriptor::Barrier(); + // We're using a CArena -- output some FAB memory stats. + // This'll output total # of bytes of heap space in the Arena. + // It's actually the high water mark of heap space required by FABs. + char buf[256]; + + sprintf( + buf, "CPU(%d): Heap Space (bytes) used by Coalescing FAB Arena: %ld", + amrex::ParallelDescriptor::MyProc(), arena->heap_space_used()); + + amrex::Print() << buf << std::endl; + } + + BL_PROFILE_VAR_STOP(pmain); + BL_PROFILE_SET_RUN_TIME(dRunTime2); + + amrex::Finalize(); + + return 0; +} diff --git a/Submodules/AMReX b/Submodules/AMReX index 93fb085d2..de150caec 160000 --- a/Submodules/AMReX +++ b/Submodules/AMReX @@ -1 +1 @@ -Subproject commit 93fb085d28349cab33892726dfa3107a85a7719e +Subproject commit de150caec585325aa540e95c36cfc01c6f7c48dc diff --git a/Submodules/GoogleTest b/Submodules/GoogleTest new file mode 160000 index 000000000..703bd9caa --- /dev/null +++ b/Submodules/GoogleTest @@ -0,0 +1 @@ +Subproject commit 703bd9caab50b139428cea1aaff9974ebee5742e diff --git a/Submodules/PelePhysics b/Submodules/PelePhysics index d62fe3925..9404f454a 160000 --- a/Submodules/PelePhysics +++ b/Submodules/PelePhysics @@ -1 +1 @@ -Subproject commit d62fe39251ac46a08c37db6c27f6971b69224b47 +Subproject commit 9404f454a357d7ef440461ae23588d92f64655a7 diff --git a/Testing/CMakeLists.txt b/Testing/CMakeLists.txt deleted file mode 100644 index fce5b7a15..000000000 --- a/Testing/CMakeLists.txt +++ /dev/null @@ -1,17 +0,0 @@ -#============================================================================= -# PeleC Testing -#============================================================================= - -configure_file(${CMAKE_CURRENT_SOURCE_DIR}/CTestCustom.cmake ${CMAKE_BINARY_DIR}/CTestCustom.cmake) - -#Google Test Stuff (GoogleTest submodule must be checked out in this directory) -add_subdirectory(GoogleTest) -mark_as_advanced( - BUILD_GMOCK BUILD_GTEST BUILD_SHARED_LIBS - gmock_build_tests gtest_build_samples gtest_build_tests - gtest_disable_pthreads gtest_force_shared_crt gtest_hide_internal_symbols -) -set_target_properties(gtest PROPERTIES FOLDER Submodules) -set_target_properties(gtest_main PROPERTIES FOLDER Submodules) - -include(${CMAKE_CURRENT_SOURCE_DIR}/CTestList.cmake) diff --git a/Testing/GoogleTest b/Testing/GoogleTest deleted file mode 160000 index 2fe3bd994..000000000 --- a/Testing/GoogleTest +++ /dev/null @@ -1 +0,0 @@ -Subproject commit 2fe3bd994b3189899d93f1d5a881e725e046fdc2 diff --git a/Testing/test_files/cns_amr_3d/cns_amr_3d.i b/Testing/test_files/cns_amr_3d/cns_amr_3d.i deleted file mode 100644 index 20f78335a..000000000 --- a/Testing/test_files/cns_amr_3d/cns_amr_3d.i +++ /dev/null @@ -1,61 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -max_step = 1000000 -stop_time = 0.000005 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 1 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -1.0 -1.0 -geometry.prob_hi = 1.0 1.0 1.0 -# use with single level -amr.n_cell = 8 8 8 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" "Interior" "Interior" -pelec.hi_bc = "Interior" "Interior" "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_react = 0 -pelec.do_grav = 0 -pelec.do_mms = 1 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.1 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog mmslog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 1000000 1000000 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est -amr.initial_grid_file = grids_file - -# CHECKPOINT FILES -amr.check_file = chk # root name of checkpoint file -amr.check_int = 100000 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_file = plt # root name of plotfile -amr.plot_int = 100000 # number of timesteps between plotfiles -amr.plot_vars = density Temp -amr.derive_plot_vars = x_velocity y_velocity z_velocity magvel magvort pressure rhommserror ummserror vmmserror wmmserror pmmserror - -#PROBIN FILENAME -amr.probin_file = cns_amr_3d.probin diff --git a/Testing/test_files/cns_amr_3d/cns_amr_3d.probin b/Testing/test_files/cns_amr_3d/cns_amr_3d.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/cns_amr_3d/cns_amr_3d.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/cns_les_no_amr_3d/cns_les_no_amr_3d.probin b/Testing/test_files/cns_les_no_amr_3d/cns_les_no_amr_3d.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/cns_les_no_amr_3d/cns_les_no_amr_3d.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/cns_no_amr_1d/cns_no_amr_1d.i b/Testing/test_files/cns_no_amr_1d/cns_no_amr_1d.i deleted file mode 100644 index 46c22818f..000000000 --- a/Testing/test_files/cns_no_amr_1d/cns_no_amr_1d.i +++ /dev/null @@ -1,61 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -max_step = 1000000 -stop_time = 0.000005 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -geometry.prob_hi = 1.0 -# use with single level -amr.n_cell = 8 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" -pelec.hi_bc = "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_react = 0 -pelec.do_grav = 0 -pelec.do_mms = 1 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.1 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog mmslog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 0 # maximum level number allowed -#amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est - -# CHECKPOINT FILES -amr.check_file = chk # root name of checkpoint file -amr.check_int = 100000 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_file = plt # root name of plotfile -amr.plot_int = 100000 # number of timesteps between plotfiles -amr.plot_vars = density Temp -amr.derive_plot_vars = x_velocity magvel magvort pressure rhommserror ummserror pmmserror - -#PROBIN FILENAME -amr.probin_file = cns_no_amr_1d.probin diff --git a/Testing/test_files/cns_no_amr_1d/cns_no_amr_1d.probin b/Testing/test_files/cns_no_amr_1d/cns_no_amr_1d.probin deleted file mode 100644 index d2c6cde5d..000000000 --- a/Testing/test_files/cns_no_amr_1d/cns_no_amr_1d.probin +++ /dev/null @@ -1,34 +0,0 @@ -&fortin - - v_0_fact = 0.d0 - v_x_fact = 0.d0 - w_0_fact = 0.d0 - w_x_fact = 0.d0 - a_rhoy = 0.d0 - a_rhoz = 0.d0 - a_uy = 0.d0 - a_uz = 0.d0 - a_vy = 0.d0 - a_vz = 0.d0 - a_py = 0.d0 - a_pz = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/cns_no_amr_2d/cns_no_amr_2d.i b/Testing/test_files/cns_no_amr_2d/cns_no_amr_2d.i deleted file mode 100644 index 6a69b27d9..000000000 --- a/Testing/test_files/cns_no_amr_2d/cns_no_amr_2d.i +++ /dev/null @@ -1,61 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -max_step = 1000000 -stop_time = 0.000005 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -1.0 -geometry.prob_hi = 1.0 1.0 -# use with single level -amr.n_cell = 8 8 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" "Interior" -pelec.hi_bc = "Interior" "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_react = 0 -pelec.do_grav = 0 -pelec.do_mms = 1 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.1 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog mmslog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 0 # maximum level number allowed -#amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est - -# CHECKPOINT FILES -amr.check_file = chk # root name of checkpoint file -amr.check_int = 100000 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_file = plt # root name of plotfile -amr.plot_int = 100000 # number of timesteps between plotfiles -amr.plot_vars = density Temp -amr.derive_plot_vars = x_velocity y_velocity magvel magvort pressure rhommserror ummserror vmmserror pmmserror - -#PROBIN FILENAME -amr.probin_file = cns_no_amr_2d.probin diff --git a/Testing/test_files/cns_no_amr_2d/cns_no_amr_2d.probin b/Testing/test_files/cns_no_amr_2d/cns_no_amr_2d.probin deleted file mode 100644 index 2d14b8ae9..000000000 --- a/Testing/test_files/cns_no_amr_2d/cns_no_amr_2d.probin +++ /dev/null @@ -1,28 +0,0 @@ -&fortin - - w_0_fact = 0.d0 - w_x_fact = 0.d0 - a_rhoz = 0.d0 - a_uz = 0.d0 - a_vz = 0.d0 - a_pz = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/cns_no_amr_3d/cns_no_amr_3d.probin b/Testing/test_files/cns_no_amr_3d/cns_no_amr_3d.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/cns_no_amr_3d/cns_no_amr_3d.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/cns_no_amr_mol_2d/cns_no_amr_mol_2d.i b/Testing/test_files/cns_no_amr_mol_2d/cns_no_amr_mol_2d.i deleted file mode 100644 index e493a6d82..000000000 --- a/Testing/test_files/cns_no_amr_mol_2d/cns_no_amr_mol_2d.i +++ /dev/null @@ -1,66 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -max_step = 1000000 -stop_time = 0.000005 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -1.0 -geometry.prob_hi = 1.0 1.0 -# use with single level -amr.n_cell = 8 8 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" "Interior" -pelec.hi_bc = "Interior" "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_mol_AD = 1 -pelec.riemann_solver = 3 -pelec.do_react = 0 -pelec.do_grav = 0 -pelec.do_mms = 1 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.1 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog mmslog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 0 # maximum level number allowed -#amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est - -# CHECKPOINT FILES -amr.check_file = chk # root name of checkpoint file -amr.check_int = 100000 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_file = plt # root name of plotfile -amr.plot_int = 100000 # number of timesteps between plotfiles -amr.plot_vars = density Temp -amr.derive_plot_vars = x_velocity y_velocity magvel magvort pressure rhommserror ummserror vmmserror pmmserror - -#PROBIN FILENAME -amr.probin_file = cns_no_amr_mol_2d.probin - -# EB -eb2.geom_type="all_regular" diff --git a/Testing/test_files/cns_no_amr_mol_2d/cns_no_amr_mol_2d.probin b/Testing/test_files/cns_no_amr_mol_2d/cns_no_amr_mol_2d.probin deleted file mode 100644 index 2d14b8ae9..000000000 --- a/Testing/test_files/cns_no_amr_mol_2d/cns_no_amr_mol_2d.probin +++ /dev/null @@ -1,28 +0,0 @@ -&fortin - - w_0_fact = 0.d0 - w_x_fact = 0.d0 - a_rhoz = 0.d0 - a_uz = 0.d0 - a_vz = 0.d0 - a_pz = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/cns_no_amr_mol_3d/cns_no_amr_mol_3d.probin b/Testing/test_files/cns_no_amr_mol_3d/cns_no_amr_mol_3d.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/cns_no_amr_mol_3d/cns_no_amr_mol_3d.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.probin b/Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.probin deleted file mode 100644 index 83495c765..000000000 --- a/Testing/test_files/eb_symmetry_3d/eb_symmetry_3d.probin +++ /dev/null @@ -1,23 +0,0 @@ -&fortin - - rho_x_fact = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/ebmms-3d-1/ebmms-3d-1.ext.gold b/Testing/test_files/ebmms-3d-1/ebmms-3d-1.ext.gold deleted file mode 100644 index 96e2df6aa..000000000 --- a/Testing/test_files/ebmms-3d-1/ebmms-3d-1.ext.gold +++ /dev/null @@ -1,18 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/ebmms-3d-1/plt00010 - time = 1.1599657026331699e-08 - variables minimum value maximum value - density 0.0010654580073 0.0012875487632 - Temp 274.10673873 331.30398958 - pressure 1012852.9228 1025842.8047 - magvort 0 35837.69725 - x_velocity -3482.9498999 3485.2667009 - y_velocity -3482.9498999 3485.2667009 - z_velocity -3482.9498999 3485.2667009 - magvel 171.04208917 6027.851612 - vfrac 0 1 - rhommserror -2.9657870653e-07 2.7886425857e-07 - ummserror -4319.9767578 165.50843473 - vmmserror -4319.9767578 165.50843473 - wmmserror -4319.9767578 165.50843473 - pmmserror -147.07724711 12842.804651 - diff --git a/Testing/test_files/ebmms-3d-1/ebmms-3d-1.probin b/Testing/test_files/ebmms-3d-1/ebmms-3d-1.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/ebmms-3d-1/ebmms-3d-1.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/ebmms-3d-1/exe_options.cmake b/Testing/test_files/ebmms-3d-1/exe_options.cmake deleted file mode 100644 index 3f1949cd4..000000000 --- a/Testing/test_files/ebmms-3d-1/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/EB_MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/EB_MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/EB_MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/EB_MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL ON) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/fiab-2d/exe_options.cmake b/Testing/test_files/fiab-2d/exe_options.cmake deleted file mode 100644 index 6339202a5..000000000 --- a/Testing/test_files/fiab-2d/exe_options.cmake +++ /dev/null @@ -1,17 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/pmf_generic.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 2) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS ON) -set(PELEC_ENABLE_MOL ON) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL Fuego) -set(PELEC_REACTIONS_MODEL Fuego) -set(PELEC_CHEMISTRY_MODEL LiDryer) -set(PELEC_TRANSPORT_MODEL EGLib) diff --git a/Testing/test_files/fiab-2d/fiab-2d.ext.gold b/Testing/test_files/fiab-2d/fiab-2d.ext.gold deleted file mode 100644 index b2b9597b4..000000000 --- a/Testing/test_files/fiab-2d/fiab-2d.ext.gold +++ /dev/null @@ -1,34 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/fiab-2d/plt00010 - time = 1.23539440512921e-06 - variables minimum value maximum value - density 0.00023008821098 0.0010296915858 - xmom -0.0055007587589 0.0060880061982 - ymom 0.020106775503 0.026957329737 - zmom 0 0 - rho_E -1339721.953 -991525.78881 - rho_e -1339722.4407 -991526.06233 - Temp 297.999993 1426.0014575 - rho_omega_H2 -0.0075618922827 5.8269551293e-14 - rho_omega_O2 -0.057120201564 6.7407001518e-05 - rho_omega_H2O -1.5361529555e-23 0.061100262414 - rho_omega_H -0.00049116631109 0.00076306318223 - rho_omega_O -0.0020011183543 0.003200560198 - rho_omega_OH -0.0021857159254 0.0026273620721 - rho_omega_HO2 -0.00051596718966 0.0015495740565 - rho_omega_H2O2 -0.0001889063098 0.00017655062713 - rho_omega_N2 -4.8779869033e-12 4.6744275117e-12 - rhoe_dot -0.0056836605072 0.0072958469391 - pressure 1013073.7654 1013430.0111 - Y(H2) 6.7695534803e-07 0.011602915485 - Y(O2) 0.13778885166 0.23043468514 - Y(H2O) 4.7668469932e-24 0.10367158931 - Y(H) -1.9658039824e-24 4.9634185752e-05 - Y(O) -2.3009702119e-23 0.0010021742479 - Y(OH) -1.7844932055e-23 0.0013812943492 - Y(HO2) -8.1380668494e-14 0.00023314139271 - Y(H2O2) -2.843039732e-13 7.5521204115e-05 - Y(N2) 0.75419099842 0.75973413714 - x_velocity -12.556217377 14.320032002 - y_velocity 20.757922468 101.30247925 - vfrac 1 1 - diff --git a/Testing/test_files/fiab-2d/fiab-2d.probin b/Testing/test_files/fiab-2d/fiab-2d.probin deleted file mode 100644 index 1a09a5cd2..000000000 --- a/Testing/test_files/fiab-2d/fiab-2d.probin +++ /dev/null @@ -1,11 +0,0 @@ -&fortin - pamb = 1013250.d0 - phi_in = -.5d0 - pertmag = .005d0 - pmf_datafile = "LiDryer_H2_p1_phi0_4000tu0300.dat" -/ - -&tagging - max_ftracerr_lev = 4 - ftracerr = 150.d-6 -/ diff --git a/Testing/test_files/fiab-3d/exe_options.cmake b/Testing/test_files/fiab-3d/exe_options.cmake deleted file mode 100644 index 0d45d4021..000000000 --- a/Testing/test_files/fiab-3d/exe_options.cmake +++ /dev/null @@ -1,17 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/pmf_generic.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/PMF/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS ON) -set(PELEC_ENABLE_MOL ON) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL Fuego) -set(PELEC_REACTIONS_MODEL Fuego) -set(PELEC_CHEMISTRY_MODEL LiDryer) -set(PELEC_TRANSPORT_MODEL EGLib) diff --git a/Testing/test_files/fiab-3d/fiab-3d.ext.gold b/Testing/test_files/fiab-3d/fiab-3d.ext.gold deleted file mode 100644 index aca7e7360..000000000 --- a/Testing/test_files/fiab-3d/fiab-3d.ext.gold +++ /dev/null @@ -1,35 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/fiab-3d/plt00010 - time = 8.2359627008614194e-08 - variables minimum value maximum value - density 0.00023008824163 0.0010296741113 - xmom -0.0027169120229 0.0026104112384 - ymom -0.002523097251 0.0023338188812 - zmom 0.022462044939 0.024107525593 - rho_E -1339924.7565 -991501.26606 - rho_e -1339925.2331 -991501.53284 - Temp 297.99999557 1426.0007807 - rho_omega_H2 -0.0075115336518 9.2710584489e-13 - rho_omega_O2 -0.056931575092 4.7686412265e-05 - rho_omega_H2O 1.9210272106e-26 0.060801877634 - rho_omega_H -0.0004842650432 0.00072103391056 - rho_omega_O -0.0019375789331 0.0031016065074 - rho_omega_OH -0.0017468034238 0.0024363748122 - rho_omega_HO2 -0.00044171440067 0.0012688064533 - rho_omega_H2O2 -0.00018906855127 0.00017622476301 - rho_omega_N2 -6.4166566808e-11 6.8251884721e-11 - rhoe_dot -0.11361169815 0.11404085159 - pressure 1012661.1482 1013916.845 - Y(H2) 6.7782139175e-07 0.011602915485 - Y(O2) 0.13778930305 0.23043452429 - Y(H2O) 1.5140409926e-24 0.10367155212 - Y(H) -6.6029968236e-25 4.944707295e-05 - Y(O) 5.6145140042e-25 0.0010017519877 - Y(OH) 8.4041518679e-28 0.0013813478365 - Y(HO2) -1.0867622788e-13 0.00023331225906 - Y(H2O2) -3.3932794477e-13 7.5591391425e-05 - Y(N2) 0.75419129299 0.75973465618 - x_velocity -7.6137863438 7.6986350582 - y_velocity -7.3261043394 6.6802185129 - z_velocity 22.631896752 101.28828874 - vfrac 1 1 - diff --git a/Testing/test_files/fiab-3d/fiab-3d.probin b/Testing/test_files/fiab-3d/fiab-3d.probin deleted file mode 100644 index 1a09a5cd2..000000000 --- a/Testing/test_files/fiab-3d/fiab-3d.probin +++ /dev/null @@ -1,11 +0,0 @@ -&fortin - pamb = 1013250.d0 - phi_in = -.5d0 - pertmag = .005d0 - pmf_datafile = "LiDryer_H2_p1_phi0_4000tu0300.dat" -/ - -&tagging - max_ftracerr_lev = 4 - ftracerr = 150.d-6 -/ diff --git a/Testing/test_files/hit-3d-1/.gitignore b/Testing/test_files/hit-3d-1/.gitignore deleted file mode 100644 index 18a2fac2e..000000000 --- a/Testing/test_files/hit-3d-1/.gitignore +++ /dev/null @@ -1,2 +0,0 @@ -/datlog -/ic.txt diff --git a/Testing/test_files/hit-3d-1/exe_options.cmake b/Testing/test_files/hit-3d-1/exe_options.cmake deleted file mode 100644 index d95b6fba6..000000000 --- a/Testing/test_files/hit-3d-1/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/HIT/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/HIT/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/hit-3d-1/hit-3d-1.ext.gold b/Testing/test_files/hit-3d-1/hit-3d-1.ext.gold deleted file mode 100644 index 9fe620f9f..000000000 --- a/Testing/test_files/hit-3d-1/hit-3d-1.ext.gold +++ /dev/null @@ -1,12 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/hit-3d-1/plt00010 - time = 1.91925219342041e-05 - variables minimum value maximum value - density 0.0011450211655 0.0011998823113 - Temp 296.78426014 302.4458305 - pressure 975304.11059 1041530.3463 - magvort 333.39893183 39889.290847 - x_velocity -7864.3393894 7918.1033958 - y_velocity -7394.2258052 7684.2743742 - z_velocity -8956.0184778 8336.9849042 - magvel 53.688178194 9365.7071237 - diff --git a/Testing/test_files/hit-3d-1/hit-3d-1.probin b/Testing/test_files/hit-3d-1/hit-3d-1.probin deleted file mode 100644 index 68e2041c3..000000000 --- a/Testing/test_files/hit-3d-1/hit-3d-1.probin +++ /dev/null @@ -1,28 +0,0 @@ -&fortin - - iname = 'hit-3d-1.ic' - lambda0 = 0.5 - reynolds_lambda0 = 100.0 - mach_t0 = 0.1 - prandtl = 0.71 - inres = 32 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/hit-3d-2/.gitignore b/Testing/test_files/hit-3d-2/.gitignore deleted file mode 100644 index 18a2fac2e..000000000 --- a/Testing/test_files/hit-3d-2/.gitignore +++ /dev/null @@ -1,2 +0,0 @@ -/datlog -/ic.txt diff --git a/Testing/test_files/hit-3d-2/exe_options.cmake b/Testing/test_files/hit-3d-2/exe_options.cmake deleted file mode 100644 index d95b6fba6..000000000 --- a/Testing/test_files/hit-3d-2/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/HIT/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/HIT/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/hit-3d-2/hit-3d-2.ext.gold b/Testing/test_files/hit-3d-2/hit-3d-2.ext.gold deleted file mode 100644 index d6bdb8377..000000000 --- a/Testing/test_files/hit-3d-2/hit-3d-2.ext.gold +++ /dev/null @@ -1,12 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/hit-3d-2/plt00010 - time = 1.97568344001247e-05 - variables minimum value maximum value - density 0.0011532570601 0.0011938622735 - Temp 297.67101857 301.86780066 - pressure 985254.32727 1034324.2206 - magvort 171.89707361 39875.873712 - x_velocity -5554.0773967 7476.4019451 - y_velocity -5825.0986612 6113.2464663 - z_velocity -6928.3664627 5611.7017601 - magvel 65.868359667 7602.8043577 - diff --git a/Testing/test_files/hit-3d-2/hit-3d-2.probin b/Testing/test_files/hit-3d-2/hit-3d-2.probin deleted file mode 100644 index 3fdc568a4..000000000 --- a/Testing/test_files/hit-3d-2/hit-3d-2.probin +++ /dev/null @@ -1,30 +0,0 @@ -&fortin - - iname = 'hit-3d-2.ic' - binfmt = true - lambda0 = 0.2645751311064591 - reynolds_lambda0 = 133.6306209562122262 - mach_t0 = 0.1 - prandtl = 0.71 - inres = 32 - uin_norm = 1.4142135623730950 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/hit-3d-3/.gitignore b/Testing/test_files/hit-3d-3/.gitignore deleted file mode 100644 index 18a2fac2e..000000000 --- a/Testing/test_files/hit-3d-3/.gitignore +++ /dev/null @@ -1,2 +0,0 @@ -/datlog -/ic.txt diff --git a/Testing/test_files/hit-3d-3/exe_options.cmake b/Testing/test_files/hit-3d-3/exe_options.cmake deleted file mode 100644 index d95b6fba6..000000000 --- a/Testing/test_files/hit-3d-3/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/HIT/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/HIT/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/hit-3d-3/hit-3d-3.ext.gold b/Testing/test_files/hit-3d-3/hit-3d-3.ext.gold deleted file mode 100644 index 573cca6b9..000000000 --- a/Testing/test_files/hit-3d-3/hit-3d-3.ext.gold +++ /dev/null @@ -1,12 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/hit-3d-3/plt00010 - time = 1.97568344001247e-05 - variables minimum value maximum value - density 0.0011530514071 0.0011939685578 - Temp 297.64721817 301.87694695 - pressure 984999.87077 1034447.6437 - magvort 174.20412813 40097.484908 - x_velocity -5585.2270619 7519.7796119 - y_velocity -5857.3894668 6147.1343963 - z_velocity -6967.7037558 5643.2181019 - magvel 66.404191266 7646.9782822 - diff --git a/Testing/test_files/hit-3d-3/hit-3d-3.probin b/Testing/test_files/hit-3d-3/hit-3d-3.probin deleted file mode 100644 index 699e4eb5f..000000000 --- a/Testing/test_files/hit-3d-3/hit-3d-3.probin +++ /dev/null @@ -1,31 +0,0 @@ -&fortin - - iname = 'hit-3d-3.ic' - binfmt = true - lambda0 = 0.2645751311064591 - reynolds_lambda0 = 133.6306209562122262 - mach_t0 = 0.1 - prandtl = 0.71 - inres = 32 - uin_norm = 1.4142135623730950 - forcing = 240945.78770686506 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-1d-1/exe_options.cmake b/Testing/test_files/mms-1d-1/exe_options.cmake deleted file mode 100644 index fe19abdf6..000000000 --- a/Testing/test_files/mms-1d-1/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 1) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-1d-1/mms-1d-1.ext.gold b/Testing/test_files/mms-1d-1/mms-1d-1.ext.gold deleted file mode 100644 index d17b06a95..000000000 --- a/Testing/test_files/mms-1d-1/mms-1d-1.ext.gold +++ /dev/null @@ -1,13 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-1d-1/plt00010 - time = 1.3949677330784599e-07 - variables minimum value maximum value - density 0.0010656161235 0.0012892406194 - Temp 214.67797856 382.85096113 - pressure 751921.13667 1243763.7814 - magvort 0 0 - x_velocity 2273.6330596 67223.845697 - magvel 2273.6330596 67223.845697 - rhommserror -7.7461738399e-06 6.4431172166e-06 - ummserror -369.19509382 428.63069013 - pmmserror -73900.870048 43585.788082 - diff --git a/Testing/test_files/mms-1d-1/mms-1d-1.i b/Testing/test_files/mms-1d-1/mms-1d-1.i deleted file mode 100644 index 90e1fa181..000000000 --- a/Testing/test_files/mms-1d-1/mms-1d-1.i +++ /dev/null @@ -1,62 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -max_step = 100 -stop_time = 0.000005 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -geometry.prob_hi = 1.0 -# use with single level -amr.n_cell = 8 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" -pelec.hi_bc = "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_react = 0 -pelec.do_mms = 1 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.1 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog mmslog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 0 # maximum level number allowed -#amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est - -# CHECKPOINT FILES -amr.checkpoint_files_output = 0 -amr.check_file = chk # root name of checkpoint file -amr.check_int = 1000 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_files_output = 1 -amr.plot_file = plt # root name of plotfile -amr.plot_int = 1000 # number of timesteps between plotfiles -amr.plot_vars = density Temp -amr.derive_plot_vars = x_velocity magvel magvort pressure rhommserror ummserror pmmserror - -#PROBIN FILENAME -amr.probin_file = mms-1d-1.probin diff --git a/Testing/test_files/mms-1d-1/mms-1d-1.probin b/Testing/test_files/mms-1d-1/mms-1d-1.probin deleted file mode 100644 index d2c6cde5d..000000000 --- a/Testing/test_files/mms-1d-1/mms-1d-1.probin +++ /dev/null @@ -1,34 +0,0 @@ -&fortin - - v_0_fact = 0.d0 - v_x_fact = 0.d0 - w_0_fact = 0.d0 - w_x_fact = 0.d0 - a_rhoy = 0.d0 - a_rhoz = 0.d0 - a_uy = 0.d0 - a_uz = 0.d0 - a_vy = 0.d0 - a_vz = 0.d0 - a_py = 0.d0 - a_pz = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-2d-1/exe_options.cmake b/Testing/test_files/mms-2d-1/exe_options.cmake deleted file mode 100644 index 34e942f91..000000000 --- a/Testing/test_files/mms-2d-1/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 2) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-2d-1/mms-2d-1.ext.gold b/Testing/test_files/mms-2d-1/mms-2d-1.ext.gold deleted file mode 100644 index 40f6a5bbb..000000000 --- a/Testing/test_files/mms-2d-1/mms-2d-1.ext.gold +++ /dev/null @@ -1,15 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-2d-1/plt00010 - time = 7.1827884991555498e-08 - variables minimum value maximum value - density 0.0010975818376 0.0012564733381 - Temp 224.56358164 373.71523977 - pressure 777942.79375 1227549.7364 - magvort 28.167560568 181446.11387 - x_velocity 10070.646395 59094.67873 - y_velocity 10104.638959 59222.932525 - magvel 15312.777004 82402.482903 - rhommserror -7.1671348201e-06 4.2652066334e-06 - ummserror -1967.0812982 1694.3632638 - vmmserror -1933.0887341 1822.6170581 - pmmserror -72246.158777 56783.655644 - diff --git a/Testing/test_files/mms-2d-1/mms-2d-1.i b/Testing/test_files/mms-2d-1/mms-2d-1.i deleted file mode 100644 index 01d9b5466..000000000 --- a/Testing/test_files/mms-2d-1/mms-2d-1.i +++ /dev/null @@ -1,62 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -max_step = 100 -stop_time = 0.000005 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -1.0 -geometry.prob_hi = 1.0 1.0 -# use with single level -amr.n_cell = 8 8 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" "Interior" -pelec.hi_bc = "Interior" "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_react = 0 -pelec.do_mms = 1 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.1 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog mmslog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 0 # maximum level number allowed -#amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est - -# CHECKPOINT FILES -amr.checkpoint_files_output = 0 -amr.check_file = chk # root name of checkpoint file -amr.check_int = 1000 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_files_output = 1 -amr.plot_file = plt # root name of plotfile -amr.plot_int = 1000 # number of timesteps between plotfiles -amr.plot_vars = density Temp -amr.derive_plot_vars = x_velocity y_velocity magvel magvort pressure rhommserror ummserror vmmserror pmmserror - -#PROBIN FILENAME -amr.probin_file = mms-2d-1.probin diff --git a/Testing/test_files/mms-2d-1/mms-2d-1.probin b/Testing/test_files/mms-2d-1/mms-2d-1.probin deleted file mode 100644 index 2d14b8ae9..000000000 --- a/Testing/test_files/mms-2d-1/mms-2d-1.probin +++ /dev/null @@ -1,28 +0,0 @@ -&fortin - - w_0_fact = 0.d0 - w_x_fact = 0.d0 - a_rhoz = 0.d0 - a_uz = 0.d0 - a_vz = 0.d0 - a_pz = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-2d-2/exe_options.cmake b/Testing/test_files/mms-2d-2/exe_options.cmake deleted file mode 100644 index 977ab8215..000000000 --- a/Testing/test_files/mms-2d-2/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 2) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL ON) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-2d-2/mms-2d-2.ext.gold b/Testing/test_files/mms-2d-2/mms-2d-2.ext.gold deleted file mode 100644 index 38efe4b38..000000000 --- a/Testing/test_files/mms-2d-2/mms-2d-2.ext.gold +++ /dev/null @@ -1,16 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-2d-2/plt00010 - time = 7.1827884991555498e-08 - variables minimum value maximum value - density 0.0010981555611 0.0012542234218 - Temp 224.42107877 373.76277836 - pressure 777445.98516 1228485.9504 - magvort 43.12143438 181442.27627 - x_velocity 10061.04603 59083.900272 - y_velocity 10108.87668 59214.433344 - magvel 15314.994772 82415.577309 - vfrac 1 1 - rhommserror -5.8349046849e-06 3.408690977e-06 - ummserror -1976.6816634 1683.5848052 - vmmserror -1928.8510133 1814.1178771 - pmmserror -70972.432351 57361.669999 - diff --git a/Testing/test_files/mms-2d-2/mms-2d-2.i b/Testing/test_files/mms-2d-2/mms-2d-2.i deleted file mode 100644 index cd8d0588f..000000000 --- a/Testing/test_files/mms-2d-2/mms-2d-2.i +++ /dev/null @@ -1,67 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -max_step = 100 -stop_time = 0.000005 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -1.0 -geometry.prob_hi = 1.0 1.0 -# use with single level -amr.n_cell = 8 8 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" "Interior" -pelec.hi_bc = "Interior" "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_mol_AD = 1 -pelec.riemann_solver = 3 -pelec.do_react = 0 -pelec.do_mms = 1 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.1 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog mmslog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 0 # maximum level number allowed -#amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 64 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est - -# CHECKPOINT FILES -amr.checkpoint_files_output = 0 -amr.check_file = chk # root name of checkpoint file -amr.check_int = 1000 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_files_output = 1 -amr.plot_file = plt # root name of plotfile -amr.plot_int = 1000 # number of timesteps between plotfiles -amr.plot_vars = density Temp -amr.derive_plot_vars = x_velocity y_velocity magvel magvort pressure rhommserror ummserror vmmserror pmmserror - -#PROBIN FILENAME -amr.probin_file = mms-2d-2.probin - -# EB -eb2.geom_type="all_regular" diff --git a/Testing/test_files/mms-2d-2/mms-2d-2.probin b/Testing/test_files/mms-2d-2/mms-2d-2.probin deleted file mode 100644 index 2d14b8ae9..000000000 --- a/Testing/test_files/mms-2d-2/mms-2d-2.probin +++ /dev/null @@ -1,28 +0,0 @@ -&fortin - - w_0_fact = 0.d0 - w_x_fact = 0.d0 - a_rhoz = 0.d0 - a_uz = 0.d0 - a_vz = 0.d0 - a_pz = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-3d-1/exe_options.cmake b/Testing/test_files/mms-3d-1/exe_options.cmake deleted file mode 100644 index 449713058..000000000 --- a/Testing/test_files/mms-3d-1/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-3d-1/mms-3d-1.ext.gold b/Testing/test_files/mms-3d-1/mms-3d-1.ext.gold deleted file mode 100644 index 7b274c737..000000000 --- a/Testing/test_files/mms-3d-1/mms-3d-1.ext.gold +++ /dev/null @@ -1,17 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-3d-1/plt00010 - time = 4.8140024410465099e-08 - variables minimum value maximum value - density 0.0011034753865 0.001248847291 - Temp 200.6173422 368.41985496 - pressure 693170.89191 1215408.5016 - magvort 10690.992794 193744.80808 - x_velocity 9157.5284575 59742.575631 - y_velocity 10262.087507 59141.452461 - z_velocity 8498.4102387 60935.987715 - magvel 36132.385132 88291.857654 - rhommserror -5.6257686027e-06 5.0115824467e-06 - ummserror -4606.7099299 4068.7708582 - vmmserror -3502.1508805 3467.6476885 - wmmserror -5265.8281486 5262.1829421 - pmmserror -269179.10809 92712.686452 - diff --git a/Testing/test_files/mms-3d-1/mms-3d-1.probin b/Testing/test_files/mms-3d-1/mms-3d-1.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/mms-3d-1/mms-3d-1.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-3d-2/exe_options.cmake b/Testing/test_files/mms-3d-2/exe_options.cmake deleted file mode 100644 index 449713058..000000000 --- a/Testing/test_files/mms-3d-2/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-3d-2/grids_file b/Testing/test_files/mms-3d-2/grids_file deleted file mode 100644 index 76edab218..000000000 --- a/Testing/test_files/mms-3d-2/grids_file +++ /dev/null @@ -1,4 +0,0 @@ -1 -2 -((0,0,0)(7,3,3)) -((4,0,4)(7,7,7)) diff --git a/Testing/test_files/mms-3d-2/mms-3d-2.ext.gold b/Testing/test_files/mms-3d-2/mms-3d-2.ext.gold deleted file mode 100644 index 44fd3bd54..000000000 --- a/Testing/test_files/mms-3d-2/mms-3d-2.ext.gold +++ /dev/null @@ -1,17 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-3d-2/plt00010 - time = 2.33395362195984e-08 - variables minimum value maximum value - density 0.0010698727763 0.0012827077359 - Temp 236.31565943 385.53185167 - pressure 820595.19729 1214318.8531 - magvort 11792.824444 404808.68466 - x_velocity 3144.8226448 66290.724375 - y_velocity 3231.3020994 66189.027045 - z_velocity 3254.3960251 66225.98661 - magvel 17965.885063 103398.52475 - rhommserror -1.0152035449e-05 5.9347124338e-06 - ummserror -4560.0964677 4341.3052774 - vmmserror -4138.6010331 4028.3197906 - wmmserror -4436.9979103 4149.4543014 - pmmserror -116509.39565 77102.147302 - diff --git a/Testing/test_files/mms-3d-2/mms-3d-2.probin b/Testing/test_files/mms-3d-2/mms-3d-2.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/mms-3d-2/mms-3d-2.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-3d-3/exe_options.cmake b/Testing/test_files/mms-3d-3/exe_options.cmake deleted file mode 100644 index bb109ab1b..000000000 --- a/Testing/test_files/mms-3d-3/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL ON) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-3d-3/mms-3d-3.ext.gold b/Testing/test_files/mms-3d-3/mms-3d-3.ext.gold deleted file mode 100644 index 006b4c239..000000000 --- a/Testing/test_files/mms-3d-3/mms-3d-3.ext.gold +++ /dev/null @@ -1,18 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-3d-3/plt00010 - time = 4.8140024410465099e-08 - variables minimum value maximum value - density 0.0011047984135 0.001247995731 - Temp 200.48960143 368.03408604 - pressure 693102.11222 1212207.4643 - magvort 10806.762741 193828.42379 - x_velocity 9164.1186108 59739.709089 - y_velocity 10274.251891 59133.925293 - z_velocity 8508.4282846 60923.919722 - magvel 36134.340999 88293.153559 - vfrac 1 1 - rhommserror -5.1361096349e-06 4.0600172143e-06 - ummserror -4600.1197765 4065.9043167 - vmmserror -3489.9864968 3460.12052 - wmmserror -5255.8101028 5250.1149492 - pmmserror -269247.88778 93552.461502 - diff --git a/Testing/test_files/mms-3d-3/mms-3d-3.probin b/Testing/test_files/mms-3d-3/mms-3d-3.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/mms-3d-3/mms-3d-3.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-3d-4/exe_options.cmake b/Testing/test_files/mms-3d-4/exe_options.cmake deleted file mode 100644 index 449713058..000000000 --- a/Testing/test_files/mms-3d-4/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-3d-4/mms-3d-4.ext.gold b/Testing/test_files/mms-3d-4/mms-3d-4.ext.gold deleted file mode 100644 index 596c644ec..000000000 --- a/Testing/test_files/mms-3d-4/mms-3d-4.ext.gold +++ /dev/null @@ -1,17 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-3d-4/plt00010 - time = 4.8140024410465099e-08 - variables minimum value maximum value - density 0.0011028286244 0.0012485737318 - Temp 187.96663008 338.07640347 - pressure 650542.71436 1073105.2375 - magvort 5178.4701501 175422.36567 - x_velocity -34770.762158 34239.07733 - y_velocity -48.203918873 48.203918873 - z_velocity -34461.439821 34532.255249 - magvel 3420.9477955 35284.019037 - rhommserror -3.2255190242e-06 4.3787826335e-06 - ummserror -5705.6429199 5173.958092 - vmmserror -48.203918873 48.203918873 - wmmserror -5396.3205824 5467.1360105 - pmmserror -362457.28564 60105.237532 - diff --git a/Testing/test_files/mms-3d-4/mms-3d-4.probin b/Testing/test_files/mms-3d-4/mms-3d-4.probin deleted file mode 100644 index 037595df8..000000000 --- a/Testing/test_files/mms-3d-4/mms-3d-4.probin +++ /dev/null @@ -1,32 +0,0 @@ -&fortin - - u_0_fact = 0.d0 - a_uy = 1.d0 - v_0_fact = 0.d0 - v_y_fact = 0.d0 - a_vx = 0.d0 - a_vy = 0.d0 - a_vz = 0.d0 - w_0_fact = 0.d0 - a_wy = 1.d0 - p_x_fact = 0.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/mms-3d-5/exe_options.cmake b/Testing/test_files/mms-3d-5/exe_options.cmake deleted file mode 100644 index 449713058..000000000 --- a/Testing/test_files/mms-3d-5/exe_options.cmake +++ /dev/null @@ -1,16 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/bc_fill_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/MMS/Prob.cpp) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA ON) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/mms-3d-5/mms-3d-5.ext.gold b/Testing/test_files/mms-3d-5/mms-3d-5.ext.gold deleted file mode 100644 index 9abf361e3..000000000 --- a/Testing/test_files/mms-3d-5/mms-3d-5.ext.gold +++ /dev/null @@ -1,20 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/mms-3d-5/plt00010 - time = 4.8140024410465099e-08 - variables minimum value maximum value - density 0.0011031533219 0.0012487632234 - Temp 66.985354732 376.2254895 - pressure 231745.17067 1241505.8338 - magvort 8615.7345631 215179.58814 - x_velocity 7388.6653149 62178 - y_velocity 7807.6685567 61703.564923 - z_velocity 4804.2220576 64851.958333 - magvel 31154.17855 91306.454301 - C_s2 4 4 - C_I 1 1 - Pr_T 1 1 - rhommserror -6.5209092777e-06 5.3165582425e-06 - ummserror -6936.5303244 6504.1952275 - vmmserror -8155.4296421 8158.0559731 - wmmserror -9198.683844 9178.1535607 - pmmserror -730604.82933 135210.46025 - diff --git a/Testing/test_files/mms-3d-5/mms-3d-5.probin b/Testing/test_files/mms-3d-5/mms-3d-5.probin deleted file mode 100644 index 91e23d9a0..000000000 --- a/Testing/test_files/mms-3d-5/mms-3d-5.probin +++ /dev/null @@ -1,22 +0,0 @@ -&fortin - - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/sod-3d-1/exe_options.cmake b/Testing/test_files/sod-3d-1/exe_options.cmake deleted file mode 100644 index 55d6cc562..000000000 --- a/Testing/test_files/sod-3d-1/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/Sod/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/Sod/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/Sod/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/sod-3d-1/sod-3d-1.ext.gold b/Testing/test_files/sod-3d-1/sod-3d-1.ext.gold deleted file mode 100644 index f1d1cf830..000000000 --- a/Testing/test_files/sod-3d-1/sod-3d-1.ext.gold +++ /dev/null @@ -1,29 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/sod-3d-1/plt00010 - time = 0.029897604539823201 - variables minimum value maximum value - density 0.125 1 - xmom -3.469446952e-18 0.38690934093 - ymom 0 0 - zmom 0 0 - rho_E 0.25 2.5 - rho_e 0.25 2.5 - Temp 8.7455187023e-09 1.3669122013e-08 - rho_X 0.125 1 - pressure 0.1 1 - kineng 0 0.18395116029 - enstrophy 0 0 - soundspeed 1.0089598499 1.2613958798 - MachNumber 0 0.94243070654 - entropy 1 1 - magvort 0 0 - divu -42.972976785 27.733878772 - eint_E 1.8178571048 2.8412849385 - eint_e 1.8178571048 2.8412849385 - logden -0.90308998699 0 - x_velocity -2.7755575616e-17 0.9508747442 - y_velocity 0 0 - z_velocity 0 0 - magvel 0 0.9508747442 - radvel -2.7744022826e-17 0.95081760887 - magmom 0 0.38690934093 - diff --git a/Testing/test_files/sod-3d-1/sod-3d-1.probin b/Testing/test_files/sod-3d-1/sod-3d-1.probin deleted file mode 100644 index d3923146a..000000000 --- a/Testing/test_files/sod-3d-1/sod-3d-1.probin +++ /dev/null @@ -1,36 +0,0 @@ -&fortin - p_l = 1.0d0 - u_l = 0.0d0 - rho_l = 1.0d0 - - p_r = 0.1d0 - u_r = 0.0d0 - rho_r = 0.125d0 - - idir = 1 - frac = 0.5d0 - -/ - -&tagging - - denerr = 3 - dengrad = 0.01 - max_denerr_lev = 3 - max_dengrad_lev = 3 - - presserr = 3 - pressgrad = 0.01 - max_presserr_lev = 3 - max_pressgrad_lev = 3 - -/ - -&extern - - eos_gamma = 1.4 -/ - -&extern - new_Jacobian_each_cell = 0 -/ diff --git a/Testing/test_files/symmetry_3d/symmetry_3d.probin b/Testing/test_files/symmetry_3d/symmetry_3d.probin deleted file mode 100644 index 499bde23b..000000000 --- a/Testing/test_files/symmetry_3d/symmetry_3d.probin +++ /dev/null @@ -1,36 +0,0 @@ -&fortin - - rho_x_fact = 0.d0 - u_0_fact = 0.d0 - v_0_fact = 0.d0 - w_0_fact = 0.d0 - p_x_fact = 0.d0 - a_ux = 2.d0 - a_uy = 0.d0 - a_uz = 0.d0 - a_vx = 0.d0 - a_vy = 2.d0 - a_vz = 0.d0 - a_wx = 0.d0 - a_wy = 0.d0 - a_wz = 2.d0 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/tg-2d-1/exe_options.cmake b/Testing/test_files/tg-2d-1/exe_options.cmake deleted file mode 100644 index 634cc4820..000000000 --- a/Testing/test_files/tg-2d-1/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 2) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/tg-2d-1/tg-2d-1.ext.gold b/Testing/test_files/tg-2d-1/tg-2d-1.ext.gold deleted file mode 100644 index c0d1eb9d1..000000000 --- a/Testing/test_files/tg-2d-1/tg-2d-1.ext.gold +++ /dev/null @@ -1,13 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/tg-2d-1/plt00010 - time = 1.76061964897236e-06 - variables minimum value maximum value - density 0.0011702543703 0.0011828078978 - xmom -4.0831045272 4.0831045272 - ymom -4.0831045272 4.0831045272 - zmom 0 0 - rho_E 2518912.5077 2546120.1736 - rho_e 2518904.0199 2546111.5947 - Temp 299.9892303 300.01124608 - rho_X 0.0011702543703 0.0011828078978 - pressure 1007561.608 1018444.6379 - diff --git a/Testing/test_files/tg-2d-1/tg-2d-1.i b/Testing/test_files/tg-2d-1/tg-2d-1.i deleted file mode 100644 index 99b551179..000000000 --- a/Testing/test_files/tg-2d-1/tg-2d-1.i +++ /dev/null @@ -1,63 +0,0 @@ -# ------------------ INPUTS TO MAIN PROGRAM ------------------- -#stop_time = 0.0018336339443081453 -max_step = 10 - -# PROBLEM SIZE & GEOMETRY -geometry.is_periodic = 1 1 -geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical -geometry.prob_lo = -1.0 -1.0 -geometry.prob_hi = 1.0 1.0 -# use with single level -amr.n_cell = 128 128 -# use with 1 level of refinement -#amr.n_cell = 128 128 - -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -# Interior, UserBC, Symmetry, SlipWall, NoSlipWall -# >>>>>>>>>>>>> BC KEYWORDS <<<<<<<<<<<<<<<<<<<<<< -pelec.lo_bc = "Interior" "Interior" -pelec.hi_bc = "Interior" "Interior" - -# WHICH PHYSICS -pelec.do_hydro = 1 -pelec.diffuse_vel = 1 -pelec.diffuse_temp = 1 -pelec.do_react = 0 -pelec.do_grav = 0 -pelec.allow_negative_energy = 0 - -# TIME STEP CONTROL -pelec.cfl = 0.9 # cfl number for hyperbolic system -pelec.init_shrink = 0.3 # scale back initial timestep -pelec.change_max = 1.1 # max time step growth -pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt - -# DIAGNOSTICS & VERBOSITY -pelec.sum_interval = 1 # timesteps between computing mass -pelec.v = 1 # verbosity in Castro.cpp -amr.v = 1 # verbosity in Amr.cpp -amr.data_log = datlog -#amr.grid_log = grdlog # name of grid logging file - -# REFINEMENT / REGRIDDING -amr.max_level = 0 # maximum level number allowed -#amr.max_level = 1 # maximum level number allowed -amr.ref_ratio = 2 2 2 2 # refinement ratio -amr.regrid_int = 2 2 2 2 # how often to regrid -amr.blocking_factor = 4 # block factor in grid generation -amr.max_grid_size = 128 -amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est - -# CHECKPOINT FILES -amr.checkpoint_files_output = 0 -amr.check_file = chk # root name of checkpoint file -amr.check_int = 100 # number of timesteps between checkpoints - -# PLOTFILES -amr.plot_files_output = 1 -amr.plot_file = plt # root name of plotfile -amr.plot_int = 100 # number of timesteps between plotfiles -amr.derive_plot_vars = density xmom ymom zmom eden Temp pressure # these variables appear in the plotfile - -#PROBIN FILENAME -amr.probin_file = tg-2d-1.probin diff --git a/Testing/test_files/tg-2d-1/tg-2d-1.probin b/Testing/test_files/tg-2d-1/tg-2d-1.probin deleted file mode 100644 index 743049f00..000000000 --- a/Testing/test_files/tg-2d-1/tg-2d-1.probin +++ /dev/null @@ -1,28 +0,0 @@ -&fortin - - reynolds = 1600.0 - mach = 0.1 - prandtl = 0.71 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 1.d20 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - - vorterr = 2.d4 - max_vorterr_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/tg-3d-1/exe_options.cmake b/Testing/test_files/tg-3d-1/exe_options.cmake deleted file mode 100644 index bd20422a5..000000000 --- a/Testing/test_files/tg-3d-1/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/tg-3d-1/tg-3d-1.ext.gold b/Testing/test_files/tg-3d-1/tg-3d-1.ext.gold deleted file mode 100644 index f27e83b86..000000000 --- a/Testing/test_files/tg-3d-1/tg-3d-1.ext.gold +++ /dev/null @@ -1,12 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/tg-3d-1/plt00010 - time = 3.5222021953735101e-06 - variables minimum value maximum value - density 0.0011704027572 0.0011826754504 - Temp 299.98984011 300.00690522 - pressure 1007729.2211 1018296.9179 - magvort 63.850446223 21684.907616 - x_velocity -3462.115276 3462.115276 - y_velocity -3462.115276 3462.115276 - z_velocity -33.053398222 33.053398222 - magvel 12.387110614 3462.121271 - diff --git a/Testing/test_files/tg-3d-1/tg-3d-1.probin b/Testing/test_files/tg-3d-1/tg-3d-1.probin deleted file mode 100644 index 63b014e91..000000000 --- a/Testing/test_files/tg-3d-1/tg-3d-1.probin +++ /dev/null @@ -1,25 +0,0 @@ -&fortin - - reynolds = 1600.0 - mach = 0.1 - prandtl = 0.71 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/tg-3d-2/exe_options.cmake b/Testing/test_files/tg-3d-2/exe_options.cmake deleted file mode 100644 index bd20422a5..000000000 --- a/Testing/test_files/tg-3d-2/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/tg-3d-2/tg-3d-2.ext.gold b/Testing/test_files/tg-3d-2/tg-3d-2.ext.gold deleted file mode 100644 index e7c8580bb..000000000 --- a/Testing/test_files/tg-3d-2/tg-3d-2.ext.gold +++ /dev/null @@ -1,12 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/tg-3d-2/plt00010 - time = 7.0513086634237497e-06 - variables minimum value maximum value - density 0.0011705310009 0.0011825537633 - Temp 299.96257514 300.02291999 - pressure 1007841.9091 1018197.99 - magvort 252.12017876 21248.314535 - x_velocity -3429.537737 3429.537737 - y_velocity -3429.537737 3429.537737 - z_velocity -64.183775862 64.183775862 - magvel 48.686839773 3429.6297607 - diff --git a/Testing/test_files/tg-3d-2/tg-3d-2.probin b/Testing/test_files/tg-3d-2/tg-3d-2.probin deleted file mode 100644 index 63b014e91..000000000 --- a/Testing/test_files/tg-3d-2/tg-3d-2.probin +++ /dev/null @@ -1,25 +0,0 @@ -&fortin - - reynolds = 1600.0 - mach = 0.1 - prandtl = 0.71 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/tg-3d-3/exe_options.cmake b/Testing/test_files/tg-3d-3/exe_options.cmake deleted file mode 100644 index bd20422a5..000000000 --- a/Testing/test_files/tg-3d-3/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB OFF) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/tg-3d-3/tg-3d-3.ext.gold b/Testing/test_files/tg-3d-3/tg-3d-3.ext.gold deleted file mode 100644 index 67597a76a..000000000 --- a/Testing/test_files/tg-3d-3/tg-3d-3.ext.gold +++ /dev/null @@ -1,12 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/tg-3d-3/plt00010 - time = 7.0513086634237497e-06 - variables minimum value maximum value - density 0.0011705304317 0.0011825651571 - Temp 299.95377823 300.032065 - pressure 1007840.7274 1018211.0334 - magvort 253.458402 21283.432654 - x_velocity -3431.2281408 3431.2281408 - y_velocity -3431.2281408 3431.2281408 - z_velocity -61.088630623 61.088630623 - magvel 48.711044671 3431.3236425 - diff --git a/Testing/test_files/tg-3d-3/tg-3d-3.probin b/Testing/test_files/tg-3d-3/tg-3d-3.probin deleted file mode 100644 index 63b014e91..000000000 --- a/Testing/test_files/tg-3d-3/tg-3d-3.probin +++ /dev/null @@ -1,25 +0,0 @@ -&fortin - - reynolds = 1600.0 - mach = 0.1 - prandtl = 0.71 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/tg-3d-4/exe_options.cmake b/Testing/test_files/tg-3d-4/exe_options.cmake deleted file mode 100644 index b33fa761e..000000000 --- a/Testing/test_files/tg-3d-4/exe_options.cmake +++ /dev/null @@ -1,15 +0,0 @@ -#User-specific source files -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/probdata.f90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Exec/RegTests/TG/Prob_nd.F90) -list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Source/Src_nd/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL ON) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL GammaLaw) -set(PELEC_REACTIONS_MODEL Null) -set(PELEC_TRANSPORT_MODEL Constant) diff --git a/Testing/test_files/tg-3d-4/tg-3d-4.ext.gold b/Testing/test_files/tg-3d-4/tg-3d-4.ext.gold deleted file mode 100644 index 50376c590..000000000 --- a/Testing/test_files/tg-3d-4/tg-3d-4.ext.gold +++ /dev/null @@ -1,13 +0,0 @@ - plotfile = /home/jrood/combustion/PeleC/Build/Testing/test_files/tg-3d-4/plt00010 - time = 7.0513086634237497e-06 - variables minimum value maximum value - density 0.0011705593967 0.0011824800625 - Temp 299.94503837 300.04824323 - pressure 1007875.4775 1018112.9193 - magvort 253.66397562 21265.817004 - x_velocity -3440.5214937 3440.5214937 - y_velocity -3440.5214937 3440.5214937 - z_velocity -60.249906319 60.249906319 - magvel 49.089159059 3440.6259073 - vfrac 1 1 - diff --git a/Testing/test_files/tg-3d-4/tg-3d-4.probin b/Testing/test_files/tg-3d-4/tg-3d-4.probin deleted file mode 100644 index 63b014e91..000000000 --- a/Testing/test_files/tg-3d-4/tg-3d-4.probin +++ /dev/null @@ -1,25 +0,0 @@ -&fortin - - reynolds = 1600.0 - mach = 0.1 - prandtl = 0.71 - -/ - -&tagging - - denerr = 1.d20 - dengrad = 0.01 - max_denerr_lev = 5 - max_dengrad_lev = 5 - - presserr = 1.d20 - pressgrad = 1.d20 - max_presserr_lev = 5 - max_pressgrad_lev = 5 - -/ - -&extern - eos_gamma = 1.4 -/ diff --git a/Testing/test_files/unit-tests-3d/exe_options.cmake b/Testing/test_files/unit-tests-3d/exe_options.cmake deleted file mode 100644 index 7a73f9bc9..000000000 --- a/Testing/test_files/unit-tests-3d/exe_options.cmake +++ /dev/null @@ -1,17 +0,0 @@ -#User-specific source files -#list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Testing/test_files/unit-tests-3d/probdata.f90) -#list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Testing/test_files/unit-tests-3d/pmf_generic.f90) -#list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Testing/test_files/unit-tests-3d/Prob_nd.F90) -#list(APPEND PELEC_EXTRA_SOURCES ${CMAKE_SOURCE_DIR}/Testing/test_files/unit-tests-3d/bc_fill_nd.F90) - -#Compile-time options for executable -set(PELEC_DIM 3) -set(PELEC_ENABLE_EB ON) -set(PELEC_ENABLE_MASA OFF) -set(PELEC_ENABLE_REACTIONS OFF) -set(PELEC_ENABLE_MOL OFF) -set(PELEC_ENABLE_PARTICLES OFF) -set(PELEC_EOS_MODEL Fuego) -set(PELEC_REACTIONS_MODEL Fuego) -set(PELEC_CHEMISTRY_MODEL LiDryer) -set(PELEC_TRANSPORT_MODEL EGLib) diff --git a/Testing/unit_tests/unit-test-3d-1.C b/Testing/unit_tests/unit-test-3d-1.C deleted file mode 100644 index 4c211c3db..000000000 --- a/Testing/unit_tests/unit-test-3d-1.C +++ /dev/null @@ -1,7 +0,0 @@ -#include "gtest/gtest.h" -#include - -TEST(PeleMock, test_pele_mock) -{ - std::cout << "Unit test 1" << std::endl; -} diff --git a/Testing/unit_tests/unit-tests-3d.C b/Testing/unit_tests/unit-tests-3d.C deleted file mode 100644 index f5951267e..000000000 --- a/Testing/unit_tests/unit-tests-3d.C +++ /dev/null @@ -1,24 +0,0 @@ -#include -//#include - -int gl_argc = 0; -char** gl_argv = 0; - -int main(int argc, char **argv) -{ - //MPI_Init(&argc, &argv); - - int returnVal = 0; - - { - testing::InitGoogleTest(&argc, argv); - - gl_argc = argc; - gl_argv = argv; - - returnVal = RUN_ALL_TESTS(); - } - - return returnVal; -} - diff --git a/Testing/CTestList.cmake b/Tests/CMakeLists.txt similarity index 51% rename from Testing/CTestList.cmake rename to Tests/CMakeLists.txt index 8042e197e..135095347 100644 --- a/Testing/CTestList.cmake +++ b/Tests/CMakeLists.txt @@ -1,6 +1,8 @@ -# Include files with functions we would like to call -include(${CMAKE_SOURCE_DIR}/CMake/build_unit_test.cmake) -include(${CMAKE_SOURCE_DIR}/CMake/build_pelec.cmake) +#============================================================================= +# PeleC Testing +#============================================================================= + +configure_file(${CMAKE_CURRENT_SOURCE_DIR}/CTestCustom.cmake ${CMAKE_BINARY_DIR}/CTestCustom.cmake) # Set location of gold files according to system/compiler/compiler_version set(FCOMPARE_GOLD_FILES_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/PeleCGoldFiles/${CMAKE_SYSTEM_NAME}/${CMAKE_CXX_COMPILER_ID}/${CMAKE_CXX_COMPILER_VERSION}) @@ -10,62 +12,26 @@ if(TEST_WITH_FCOMPARE) endif() # Have CMake discover the number of cores on the node -include(ProcessorCount) -ProcessorCount(PROCESSES) - -# Set TOLERANCE for testing -if(NOT ${TEST_TOLERANCE} STREQUAL "") - set(TOLERANCE ${TEST_TOLERANCE}) # User defined -else(NOT ${TEST_TOLERANCE} STREQUAL "") - if(${CMAKE_SYSTEM_NAME} MATCHES "Darwin") - if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang" - OR "${CMAKE_CXX_COMPILER_ID}" STREQUAL "AppleClang") - set(TOLERANCE "1e-3") - elseif ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU") - set(TOLERANCE "1e-3") - elseif ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Intel") - set(TOLERANCE "1e-2") - else() - set(TOLERANCE "1e-8") # Mac default - endif() - elseif(${CMAKE_SYSTEM_NAME} MATCHES "Linux") - if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang") - set(TOLERANCE "1e-5") - elseif ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "GNU") - set(TOLERANCE "1e-15") - elseif ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Intel") - set(TOLERANCE "1e-2") - else() - set(TOLERANCE "1e-8") # Linux default - endif() - endif() -endif() -message(STATUS "Using test tolerance of ${TOLERANCE}") +#include(ProcessorCount) +#ProcessorCount(PROCESSES) #============================================================================= # Functions for adding tests / Categories of tests #============================================================================= # Standard regression test -function(add_test_r TEST_NAME NP) +function(add_test_r TEST_NAME TEST_EXE_DIR) # Set variables for respective binary and source directories for the test - set(CURRENT_TEST_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/test_files/${TEST_NAME}) - set(CURRENT_TEST_BINARY_DIR ${CMAKE_CURRENT_BINARY_DIR}/test_files/${TEST_NAME}) + set(CURRENT_TEST_SOURCE_DIR ${CMAKE_SOURCE_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/tests/${TEST_NAME}) + set(CURRENT_TEST_BINARY_DIR ${CMAKE_BINARY_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/tests/${TEST_NAME}) + set(CURRENT_TEST_EXE ${CMAKE_BINARY_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/pelec_${TEST_EXE_DIR}) # Gold files should be submodule organized by machine and compiler (these are output during configure) set(PLOT_GOLD ${FCOMPARE_GOLD_FILES_DIRECTORY}/${TEST_NAME}/plt00010) # Test plot is currently expected to be after 10 steps set(PLOT_TEST ${CURRENT_TEST_BINARY_DIR}/plt00010) - # Get test options - set(EXE_OPTIONS_FILE ${CURRENT_TEST_SOURCE_DIR}/exe_options.cmake) - # Define our test options - include(${EXE_OPTIONS_FILE}) # Find fcompare if(TEST_WITH_FCOMPARE) - set(FCOMPARE ${CMAKE_BINARY_DIR}/fcompare) - endif() - # Find fextrema - if(TEST_WITH_FEXTREMA) - set(FEXTREMA ${CMAKE_BINARY_DIR}/fextrema) + set(FCOMPARE ${CMAKE_BINARY_DIR}/${AMREX_SUBMOD_LOCATION}/Tools/Plotfile/fcompare) endif() # Make working directory for test file(MAKE_DIRECTORY ${CURRENT_TEST_BINARY_DIR}) @@ -74,32 +40,36 @@ function(add_test_r TEST_NAME NP) # Copy files to test working directory file(COPY ${TEST_FILES} DESTINATION "${CURRENT_TEST_BINARY_DIR}/") # Set some default runtime options for all tests in this category - set(RUNTIME_OPTIONS "max_step=10 amr.plot_file=plt amr.checkpoint_files_output=0 amr.plot_files_output=1 amr.probin_file=${TEST_NAME}.probin") - # Build the exe for the test - build_pelec(PeleC-${TEST_NAME} ${EXE_OPTIONS_FILE}) + set(RUNTIME_OPTIONS "max_step=10 amr.plot_file=plt amr.checkpoint_files_output=0 amr.plot_files_output=1 amrex.signal_handling=0") # Use fcompare to test diffs in plots against gold files if(TEST_WITH_FCOMPARE) set(FCOMPARE_COMMAND "&& ${FCOMPARE} ${PLOT_GOLD} ${PLOT_TEST}") endif() - # Use fextrema to test diffs in plots against gold files - if(TEST_WITH_FEXTREMA) - set(FEXTREMA_COMMAND "&& ${FEXTREMA} ${PLOT_TEST} > ${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.ext && ${PYTHON_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/test_files/fextrema_compare.py -f ${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.ext -g ${CURRENT_TEST_SOURCE_DIR}/${TEST_NAME}.ext.gold -t ${TOLERANCE}") + if(PELEC_ENABLE_MPI) + set(NP 4) + set(MPI_COMMANDS "${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NP} ${MPIEXEC_PREFLAGS}") + else() + set(NP 1) + unset(MPI_COMMANDS) endif() - # Place the exe in the correct working directory - set_target_properties(PeleC-${TEST_NAME} PROPERTIES RUNTIME_OUTPUT_DIRECTORY "${CURRENT_TEST_BINARY_DIR}/") # Add test and actual test commands to CTest database - add_test(${TEST_NAME} sh -c "${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NP} ${MPIEXEC_PREFLAGS} ${CURRENT_TEST_BINARY_DIR}/PeleC-${TEST_NAME} ${MPIEXEC_POSTFLAGS} ${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.i ${RUNTIME_OPTIONS} ${FEXTREMA_COMMAND} ${FCOMPARE_COMMAND}") + add_test(${TEST_NAME} sh -c "${MPI_COMMANDS} ${CURRENT_TEST_EXE} ${MPIEXEC_POSTFLAGS} ${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.i ${RUNTIME_OPTIONS} > ${TEST_NAME}.log ${FCOMPARE_COMMAND}") # Set properties for test - set_tests_properties(${TEST_NAME} PROPERTIES TIMEOUT 1500 PROCESSORS ${NP} WORKING_DIRECTORY "${CURRENT_TEST_BINARY_DIR}/" LABELS "regression") + set_tests_properties(${TEST_NAME} PROPERTIES TIMEOUT 1500 PROCESSORS ${NP} WORKING_DIRECTORY "${CURRENT_TEST_BINARY_DIR}/" LABELS "regression" ATTACHED_FILES_ON_FAIL "${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.log") endfunction(add_test_r) +# Regression tests excluded from CI +function(add_test_re TEST_NAME TEST_EXE_DIR) + add_test_r(${TEST_NAME} ${TEST_EXE_DIR}) + set_tests_properties(${TEST_NAME} PROPERTIES LABELS "regression;no-ci") +endfunction(add_test_re) + # Verification test with 1 resolution -function(add_test_v1 TEST_NAME TEST_DEPENDENCY NP) +function(add_test_v1 TEST_NAME TEST_EXE_DIR) # Set variables for respective binary and source directories for the test - set(CURRENT_TEST_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/test_files/${TEST_NAME}) - set(CURRENT_TEST_BINARY_DIR ${CMAKE_CURRENT_BINARY_DIR}/test_files/${TEST_NAME}) - set(TEST_DEPENDENCY_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/test_files/${TEST_DEPENDENCY}) - set(TEST_DEPENDENCY_BINARY_DIR ${CMAKE_CURRENT_BINARY_DIR}/test_files/${TEST_DEPENDENCY}) + set(CURRENT_TEST_SOURCE_DIR ${CMAKE_SOURCE_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/tests/${TEST_NAME}) + set(CURRENT_TEST_BINARY_DIR ${CMAKE_BINARY_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/tests/${TEST_NAME}) + set(CURRENT_TEST_EXE ${CMAKE_BINARY_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/pelec_${TEST_EXE_DIR}) # Make working directory for test file(MAKE_DIRECTORY ${CURRENT_TEST_BINARY_DIR}) # Gather all files in source directory for test @@ -107,34 +77,33 @@ function(add_test_v1 TEST_NAME TEST_DEPENDENCY NP) # Copy files to test working directory file(COPY ${TEST_FILES} DESTINATION "${CURRENT_TEST_BINARY_DIR}/") # Get test options - set(EXE_OPTIONS_FILE ${TEST_DEPENDENCY_SOURCE_DIR}/exe_options.cmake) - # Define our test options - include(${EXE_OPTIONS_FILE}) - # Define our main run command - set(RUN_COMMAND "rm mmslog datlog || true && ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NP} ${MPIEXEC_PREFLAGS} ${TEST_DEPENDENCY_BINARY_DIR}/PeleC-${TEST_DEPENDENCY} ${MPIEXEC_POSTFLAGS} ${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.i") + if(PELEC_ENABLE_MPI) + set(NP 4) + set(MPI_COMMANDS "${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NP} ${MPIEXEC_PREFLAGS}") + else() + set(NP 1) + unset(MPI_COMMANDS) + endif() # Set some default runtime options for all tests in this category - set(RUNTIME_OPTIONS "amr.plot_file=plt amr.checkpoint_files_output=0 amr.plot_files_output=1 amr.probin_file=${TEST_NAME}.probin") + set(RUNTIME_OPTIONS "amr.plot_file=plt amr.checkpoint_files_output=0 amr.plot_files_output=1 amrex.signal_handling=0") + # Define our main run command + set(RUN_COMMAND "rm mmslog datlog || true && ${MPI_COMMANDS} ${CURRENT_TEST_EXE} ${MPIEXEC_POSTFLAGS} ${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.i") # Add test and actual test commands to CTest database - add_test(${TEST_NAME} sh -c "${RUN_COMMAND} ${RUNTIME_OPTIONS} && nosetests ${TEST_NAME}.py") + add_test(${TEST_NAME} sh -c "${RUN_COMMAND} ${RUNTIME_OPTIONS} > ${TEST_NAME}.log && nosetests ${TEST_NAME}.py") # Set properties for test - set_tests_properties(${TEST_NAME} PROPERTIES TIMEOUT 1500 PROCESSORS ${NP} WORKING_DIRECTORY "${CURRENT_TEST_BINARY_DIR}/" LABELS "verification" FIXTURES_REQUIRED ${TEST_DEPENDENCY}) + set_tests_properties(${TEST_NAME} PROPERTIES TIMEOUT 1500 PROCESSORS ${NP} WORKING_DIRECTORY "${CURRENT_TEST_BINARY_DIR}/" LABELS "verification" ATTACHED_FILES_ON_FAIL "${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}.log") endfunction(add_test_v1) # Verification test with multiple resolutions (each test runs on maximum number of processes on node) -function(add_test_v2 TEST_NAME TEST_DEPENDENCY LIST_OF_GRID_SIZES) +function(add_test_v2 TEST_NAME TEST_EXE_DIR LIST_OF_GRID_SIZES) # Make sure run command is cleared before we construct it unset(MASTER_RUN_COMMAND) # Set variables for respective binary and source directories for the test - set(CURRENT_TEST_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/test_files/${TEST_NAME}) - set(CURRENT_TEST_BINARY_DIR ${CMAKE_CURRENT_BINARY_DIR}/test_files/${TEST_NAME}) - set(TEST_DEPENDENCY_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/test_files/${TEST_DEPENDENCY}) - set(TEST_DEPENDENCY_BINARY_DIR ${CMAKE_CURRENT_BINARY_DIR}/test_files/${TEST_DEPENDENCY}) + set(CURRENT_TEST_SOURCE_DIR ${CMAKE_SOURCE_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/tests/${TEST_NAME}) + set(CURRENT_TEST_BINARY_DIR ${CMAKE_BINARY_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/tests/${TEST_NAME}) + set(CURRENT_TEST_EXE ${CMAKE_BINARY_DIR}/ExecCpp/RegTests/${TEST_EXE_DIR}/pelec_${TEST_EXE_DIR}) # Copy python file to test directory for running nosetests - file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/test_files/test_second_order.py DESTINATION "${CURRENT_TEST_BINARY_DIR}/") - # Get test dependency options (mainly just need the dimension value) - set(EXE_OPTIONS_FILE ${TEST_DEPENDENCY_SOURCE_DIR}/exe_options.cmake) - # Define our test options - include(${EXE_OPTIONS_FILE}) + file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/test_second_order.py DESTINATION "${CURRENT_TEST_BINARY_DIR}/") # Get last item in resolution list so we can find out when we are on the last item in our loop list(GET LIST_OF_GRID_SIZES -1 LAST_GRID_SIZE_IN_LIST) # Create the commands to run for each resolution @@ -155,16 +124,23 @@ function(add_test_v2 TEST_NAME TEST_DEPENDENCY LIST_OF_GRID_SIZES) endif() # Set the command to delete files from previous test runs in each resolution set(DELETE_PREVIOUS_FILES_COMMAND "rm mmslog datlog || true") + if(PELEC_ENABLE_MPI) + set(NP 4) + set(MPI_COMMANDS "${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NP} ${MPIEXEC_PREFLAGS}") + else() + set(NP 1) + unset(MPI_COMMANDS) + endif() # Set the run command for this resolution - set(RUN_COMMAND_${GRID_SIZE} "${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${PROCESSES} ${MPIEXEC_PREFLAGS} ${TEST_DEPENDENCY_BINARY_DIR}/PeleC-${TEST_DEPENDENCY} ${MPIEXEC_POSTFLAGS} ${CURRENT_TEST_BINARY_DIR}/${GRID_SIZE}/${TEST_NAME}.i") + set(RUN_COMMAND_${GRID_SIZE} "${MPI_COMMANDS} ${CURRENT_TEST_EXE} ${MPIEXEC_POSTFLAGS} ${CURRENT_TEST_BINARY_DIR}/${GRID_SIZE}/${TEST_NAME}.i") # Set some runtime options for each resolution - set(RUNTIME_OPTIONS_${GRID_SIZE} "amr.plot_file=plt amr.checkpoint_files_output=0 amr.plot_files_output=1 amr.probin_file=${TEST_NAME}.probin amr.n_cell=${NCELLS}") + set(RUNTIME_OPTIONS_${GRID_SIZE} "amrex.signal_handling=0 amr.plot_file=plt amr.checkpoint_files_output=0 amr.plot_files_output=1 amr.n_cell=${NCELLS}") # Construct our large run command with everything &&'d together string(APPEND MASTER_RUN_COMMAND "cd ${CURRENT_TEST_BINARY_DIR}/${GRID_SIZE}") string(APPEND MASTER_RUN_COMMAND " && ") string(APPEND MASTER_RUN_COMMAND "${DELETE_PREVIOUS_FILES_COMMAND}") string(APPEND MASTER_RUN_COMMAND " && ") - string(APPEND MASTER_RUN_COMMAND "${RUN_COMMAND_${GRID_SIZE}} ${RUNTIME_OPTIONS_${GRID_SIZE}}") + string(APPEND MASTER_RUN_COMMAND "${RUN_COMMAND_${GRID_SIZE}} ${RUNTIME_OPTIONS_${GRID_SIZE}} > ${TEST_NAME}-${GRID_SIZE}.log") # Add another " && " unless we are on the last resolution in the list if(NOT ${GRID_SIZE} EQUAL ${LAST_GRID_SIZE_IN_LIST}) string(APPEND MASTER_RUN_COMMAND " && ") @@ -180,22 +156,23 @@ function(add_test_v2 TEST_NAME TEST_DEPENDENCY LIST_OF_GRID_SIZES) # Add test and actual test commands to CTest database (need to convert this to arrays for resolutions) add_test(${TEST_NAME} sh -c "${MASTER_RUN_COMMAND} && cd ${CURRENT_TEST_BINARY_DIR} && nosetests test_second_order.py") # Set properties for test and make sure test dependencies have run before this test will run - set_tests_properties(${TEST_NAME} PROPERTIES TIMEOUT 7200 PROCESSORS ${PROCESSES} WORKING_DIRECTORY "${CURRENT_TEST_BINARY_DIR}" LABELS "verification" ATTACHED_FILES "${IMAGES_TO_UPLOAD}" FIXTURES_REQUIRED ${TEST_DEPENDENCY}) + set_tests_properties(${TEST_NAME} PROPERTIES TIMEOUT 7200 PROCESSORS ${NP} WORKING_DIRECTORY "${CURRENT_TEST_BINARY_DIR}" LABELS "verification;no-ci" ATTACHED_FILES "${IMAGES_TO_UPLOAD}") endfunction(add_test_v2) # Standard unit test -function(add_test_u TEST_NAME NP) - # Set variables for respective binary and source directories for the test - set(CURRENT_TEST_SOURCE_DIR ${CMAKE_CURRENT_SOURCE_DIR}/test_files/${TEST_NAME}) - set(CURRENT_TEST_BINARY_DIR ${CMAKE_CURRENT_BINARY_DIR}/test_files/${TEST_NAME}) +function(add_test_u TEST_NAME) + set(CURRENT_TEST_BINARY_DIR ${CMAKE_BINARY_DIR}/ExecCpp/UnitTests/tests/${TEST_NAME}) + set(CURRENT_TEST_EXE ${CMAKE_BINARY_DIR}/ExecCpp/UnitTests/pelec_${TEST_NAME}) # Make working directory for test file(MAKE_DIRECTORY ${CURRENT_TEST_BINARY_DIR}) - # Build exe for test - build_unit_test(${TEST_NAME} ${CURRENT_TEST_SOURCE_DIR}/exe_options.cmake) - # Place the exe in the correct working directory - set_target_properties(${TEST_NAME} PROPERTIES RUNTIME_OUTPUT_DIRECTORY "${CURRENT_TEST_BINARY_DIR}/") + set(NP 1) + if(PELEC_ENABLE_MPI) + set(MPI_COMMANDS "${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NP} ${MPIEXEC_PREFLAGS}") + else() + unset(MPI_COMMANDS) + endif() # Add test and commands to CTest database - add_test(${TEST_NAME} sh -c "${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NP} ${MPIEXEC_PREFLAGS} ${CURRENT_TEST_BINARY_DIR}/${TEST_NAME}") + add_test(${TEST_NAME} sh -c "${MPI_COMMANDS} ${CURRENT_TEST_EXE} ${MPIEXEC_POSTFLAGS}") # Set properties for test set_tests_properties(${TEST_NAME} PROPERTIES TIMEOUT 500 PROCESSORS ${NP} WORKING_DIRECTORY "${CURRENT_TEST_BINARY_DIR}/" LABELS "unit") endfunction(add_test_u) @@ -203,53 +180,63 @@ endfunction(add_test_u) #============================================================================= # Regression tests #============================================================================= -add_test_r(fiab-2d 4) -add_test_r(fiab-3d 4) -add_test_r(hit-3d-1 4) -add_test_r(hit-3d-2 4) -add_test_r(hit-3d-3 4) -add_test_r(mms-1d-1 4) -add_test_r(mms-2d-1 4) -add_test_r(mms-2d-2 4) -add_test_r(mms-3d-1 4) -add_test_r(mms-3d-2 4) -add_test_r(mms-3d-3 4) -add_test_r(mms-3d-4 1) -add_test_r(mms-3d-5 1) -add_test_r(ebmms-3d-1 4) -add_test_r(sod-3d-1 4) -add_test_r(tg-2d-1 4) -add_test_r(tg-3d-1 4) -add_test_r(tg-3d-2 4) -add_test_r(tg-3d-3 4) -add_test_r(tg-3d-4 4) + +# Run in CI +if(PELEC_DIM GREATER 1) + add_test_r(tg-1 TG) + add_test_r(tg-2 TG) + add_test_r(hit-1 HIT) + add_test_r(hit-2 HIT) + add_test_r(hit-3 HIT) + add_test_r(sod-1 Sod) +endif() +if(PELEC_ENABLE_MASA) + add_test_r(mms-3 MMS) + if(PELEC_DIM GREATER 1) + add_test_r(mms-1 MMS) + add_test_r(mms-2 MMS) + add_test_r(mms-4 MMS) + if(PELEC_DIM GREATER 2) + add_test_r(mms-5 MMS) + endif() + if(PELEC_ENABLE_AMREX_EB) + add_test_r(ebmms-1 EB_MMS) + endif() + endif() +endif() + +# Not run in CI +if(PELEC_DIM GREATER 1) + add_test_re(pmf-1 PMF) + if(PELEC_DIM GREATER 2) + add_test_re(tg-3 TG) + add_test_re(tg-4 TG) + endif() +endif() #============================================================================= # Verification tests #============================================================================= -if(ENABLE_VERIFICATION) - add_test_v1(symmetry_3d mms-3d-1 4) - add_test_v1(eb_symmetry_3d ebmms-3d-1 4) +if(PELEC_ENABLE_MASA AND (PELEC_DIM GREATER 2)) + add_test_v1(symmetry MMS) + if(PELEC_ENABLE_AMREX_EB) + add_test_v1(eb-symmetry EB_MMS) + endif() # Create list of resolutions we want to test with; make sure to pass it as a string in quotes set(LIST_OF_GRID_SIZES 8 12 16 20) - add_test_v2(cns_no_amr_2d mms-2d-1 "${LIST_OF_GRID_SIZES}") - add_test_v2(cns_no_amr_3d mms-3d-1 "${LIST_OF_GRID_SIZES}") - add_test_v2(cns_no_amr_mol_2d mms-2d-2 "${LIST_OF_GRID_SIZES}") - add_test_v2(cns_no_amr_mol_3d mms-3d-3 "${LIST_OF_GRID_SIZES}") - #add_test_v3(cns_amr_3d mms-3d-1 "${LIST_OF_GRID_SIZES}") # This one takes a while with AMR + add_test_v2(cns-no-amr MMS "${LIST_OF_GRID_SIZES}") + add_test_v2(cns-no-amr-mol MMS "${LIST_OF_GRID_SIZES}") + #add_test_v3(cns-amr MMS "${LIST_OF_GRID_SIZES}") # This one takes a while with AMR set(LIST_OF_GRID_SIZES 8 12 16 24) - add_test_v2(cns_les_no_amr_3d mms-3d-5 "${LIST_OF_GRID_SIZES}") - - set(LIST_OF_GRID_SIZES 8 16 32 64) - add_test_v2(cns_no_amr_1d mms-1d-1 "${LIST_OF_GRID_SIZES}") + add_test_v2(cns-les-no-amr MMS "${LIST_OF_GRID_SIZES}") endif() #============================================================================= # Unit tests #============================================================================= -add_test_u(unit-tests-3d 1) +add_test_u(unit_tests) #============================================================================= # Performance tests diff --git a/Testing/CTestCustom.cmake b/Tests/CTestCustom.cmake similarity index 100% rename from Testing/CTestCustom.cmake rename to Tests/CTestCustom.cmake diff --git a/Testing/CTestNightlyScript.cmake b/Tests/CTestNightlyScript.cmake similarity index 96% rename from Testing/CTestNightlyScript.cmake rename to Tests/CTestNightlyScript.cmake index d61510455..2a47c0a06 100644 --- a/Testing/CTestNightlyScript.cmake +++ b/Tests/CTestNightlyScript.cmake @@ -41,7 +41,7 @@ set(CTEST_UPDATE_COMMAND "${CTEST_GIT_COMMAND}") set(CTEST_GIT_INIT_SUBMODULES TRUE) # Configure Command -set(CTEST_CONFIGURE_COMMAND "cmake ${CMAKE_CONFIGURE_ARGS} -DENABLE_TESTS:BOOL=ON ${CTEST_SOURCE_DIRECTORY}") +set(CTEST_CONFIGURE_COMMAND "cmake ${CMAKE_CONFIGURE_ARGS} -DPELEC_ENABLE_TESTS:BOOL=ON ${CTEST_SOURCE_DIRECTORY}") # Build Command set(CTEST_BUILD_COMMAND "${MAKE} ${CTEST_BUILD_FLAGS}") diff --git a/Testing/test_files/fextrema_compare.py b/Tests/fextrema_compare.py similarity index 100% rename from Testing/test_files/fextrema_compare.py rename to Tests/fextrema_compare.py diff --git a/Testing/test_files/test_second_order.py b/Tests/test_second_order.py similarity index 100% rename from Testing/test_files/test_second_order.py rename to Tests/test_second_order.py