Merge branch 'develop' into openmc

configs/CSC-LUMI-HPECray-zen3-MI250X-Slingshot/auxiliary_software_files/compilers.yaml

@@ -0,0 +1,139 @@
+# Copyright 2023 Lawrence Livermore National Security, LLC and other
+# Benchpark Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: Apache-2.0
+
+compilers:
+  - compiler:
+      spec: [email protected]
+      paths:
+        cc: /usr/bin/gcc
+        cxx: /usr/bin/g++
+        f77: /usr/bin/gfortran
+        fc: /usr/bin/gfortran
+      flags: {}
+      operating_system: sles15
+      target: any
+      modules: []
+      environment:
+        append_path:
+          PKG_CONFIG_PATH: /usr/lib64/pkgconfig
+      extra_rpaths: []
+  - compiler:
+      spec: [email protected]
+      paths:
+        cc: /opt/cray/pe/gcc/11.2.0/bin/gcc
+        cxx: /opt/cray/pe/gcc/11.2.0/bin/g++
+        f77: /opt/cray/pe/gcc/11.2.0/bin/gfortran
+        fc: /opt/cray/pe/gcc/11.2.0/bin/gfortran
+      flags: {}
+      operating_system: sles15
+      target: any
+      modules: []
+      environment:
+        prepend_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/pmi/6.1.12/lib:/opt/cray/libfabric/1.15.2.0/lib64
+          PKG_CONFIG_PATH: /usr/lib64/pkgconfig
+      extra_rpaths: []
+  - compiler:
+      spec: [email protected]
+      paths:
+        cc: /opt/cray/pe/gcc/12.2.0/bin/gcc
+        cxx: /opt/cray/pe/gcc/12.2.0/bin/g++
+        f77: /opt/cray/pe/gcc/12.2.0/bin/gfortran
+        fc: /opt/cray/pe/gcc/12.2.0/bin/gfortran
+      flags: {}
+      operating_system: sles15
+      target: any
+      modules: []
+      environment:
+        prepend_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/pmi/6.1.12/lib:/opt/cray/libfabric/1.15.2.0/lib64
+          PKG_CONFIG_PATH: /usr/lib64/pkgconfig
+      extra_rpaths: []
+  - compiler:
+      spec: [email protected]
+      paths:
+        cc: /opt/cray/pe/cce/14.0.2/bin/craycc
+        cxx: /opt/cray/pe/cce/14.0.2/bin/crayCC
+        f77: /opt/cray/pe/cce/14.0.2/bin/crayftn
+        fc: /opt/cray/pe/cce/14.0.2/bin/crayftn
+      flags: {}
+      operating_system: sles15
+      target: any
+      modules: []
+      environment:
+        set:
+          RFE_811452_DISABLE: '1'
+        prepend_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/pmi/6.1.12/lib
+        append_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/gcc-libs
+          PKG_CONFIG_PATH: /usr/lib64/pkgconfig
+      extra_rpaths:
+      - /opt/cray/pe/gcc-libs
+  - compiler:
+      spec: [email protected]
+      paths:
+        cc: /opt/cray/pe/cce/15.0.1/bin/craycc
+        cxx: /opt/cray/pe/cce/15.0.1/bin/crayCC
+        f77: /opt/cray/pe/cce/15.0.1/bin/crayftn
+        fc: /opt/cray/pe/cce/15.0.1/bin/crayftn
+      flags: {}
+      operating_system: sles15
+      target: any
+      modules: []
+      environment:
+        set:
+          RFE_811452_DISABLE: '1'
+        prepend_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/pmi/6.1.12/lib
+        append_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/gcc-libs
+          PKG_CONFIG_PATH: /usr/lib64/pkgconfig
+      extra_rpaths:
+      - /opt/cray/pe/gcc-libs
+  - compiler:
+      spec: [email protected]
+      paths:
+        cc: /opt/cray/pe/cce/16.0.1/bin/craycc
+        cxx: /opt/cray/pe/cce/16.0.1/bin/crayCC
+        f77: /opt/cray/pe/cce/16.0.1/bin/crayftn
+        fc: /opt/cray/pe/cce/16.0.1/bin/crayftn
+      flags: {}
+      operating_system: sles15
+      target: any
+      modules: []
+      environment:
+        set:
+          RFE_811452_DISABLE: '1'
+        prepend_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/pmi/6.1.12/lib
+        append_path:
+          LD_LIBRARY_PATH: /opt/cray/pe/gcc-libs
+          PKG_CONFIG_PATH: /usr/lib64/pkgconfig
+      extra_rpaths:
+      - /opt/cray/pe/gcc-libs
+  - compiler:
+        spec: [email protected]
+        paths:
+          cc:  /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/bin/amdclang
+          cxx: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/bin/amdclang++
+          f77: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/bin/amdflang
+          fc:  /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/bin/amdflang
+        flags: {}
+        operating_system: sles15
+        target: any
+        modules: []
+        environment:
+          set:
+            RFE_811452_DISABLE: '1'
+          append_path:
+            LD_LIBRARY_PATH: /opt/cray/pe/gcc-libs
+          prepend_path:
+            LD_LIBRARY_PATH: /opt/cray/pe/pmi/6.1.12/lib
+            LIBRARY_PATH:  /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/lib:/appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/lib64
+        extra_rpaths:
+        - /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/lib
+        - /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/lib64
+        - /opt/cray/pe/gcc-libs

configs/CSC-LUMI-HPECray-zen3-MI250X-Slingshot/auxiliary_software_files/packages.yaml

@@ -0,0 +1,230 @@
+# Copyright 2023 Lawrence Livermore National Security, LLC and other
+# Benchpark Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: Apache-2.0
+
+packages:
+  all:
+    compiler: [[email protected]]
+    target: [zen2]
+    providers:
+      mpi: [[email protected]]
+      blas: [openblas,[email protected]]
+      lapack: [openblas,[email protected]]
+      scalapack: [netlib-scalapack,[email protected]]
+  mpi:
+    buildable: false
+  cray-mpich:
+    externals:
+    - spec: [email protected]%gcc
+      prefix: /opt/cray/pe/mpich/8.1.27/ofi/gnu/9.1
+      modules:
+      - libfabric/1.15.2.0
+    - spec: [email protected]%cce
+      prefix: /opt/cray/pe/mpich/8.1.27/ofi/cray/14.0
+      modules:
+      - libfabric/1.15.2.0
+    - spec: [email protected]%rocmcc
+      prefix: /opt/cray/pe/mpich/8.1.27/ofi/amd/5.0
+      modules:
+      - libfabric/1.15.2.0
+    buildable: false
+  blas:
+    buildable: false
+  lapack:
+    buildable: false
+  cray-libsci:
+    externals:
+    - spec: [email protected]%gcc
+      prefix: /opt/cray/pe/libsci/23.09.1.1/gnu/10.3/x86_64
+      modules:
+      - cray-libsci/23.09.1.1
+    - spec: [email protected]%cce
+      prefix: /opt/cray/pe/libsci/23.09.1.1/cray/12.0/x86_64
+      modules:
+      - cray-libsci/23.09.1.1
+    - spec: [email protected]%rocmcc
+      prefix: /opt/cray/pe/libsci/23.09.1.1/AMD/5.0/x86_64
+      modules:
+      - cray-libsci/23.09.1.1
+    buildable: false
+  gcc:
+    externals:
+    - spec: [email protected] languages=c,c++,fortran
+      prefix: /usr
+      extra_attributes:
+        compilers:
+          c: /usr/bin/gcc
+          cxx: /usr/bin/g++-7
+          fortran: /usr/bin/gfortran
+  slurm:
+    externals:
+    - spec: [email protected]
+      prefix: /usr
+    buildable: false
+  comgr:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hip:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/hip
+      spec: [email protected]
+  hip-rocclr:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/rocclr
+      spec: [email protected]
+  hipblas:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hipcub:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hipfft:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hipfort:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hipify-clang:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hipsparse:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hsa-rocr-dev:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  hsakmt-roct:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  llvm-amdgpu:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/llvm
+      spec: [email protected]
+  rccl:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocalution:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocblas:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocfft:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+    variants: amdgpu_target=auto amdgpu_target_sram_ecc=auto
+  rocm-clang-ocl:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocm-cmake:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocm-device-libs:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocm-gdb:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocm-opencl:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/opencl
+      spec: [email protected]
+  rocm-opencl-runtime:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/opencl
+      spec: [email protected]
+  rocm-openmp-extras:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/llvm
+      spec: [email protected]
+  rocm-smi:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/rocm_smi
+      spec: [email protected]
+  rocm-smi-lib:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1/rocm_smi
+      spec: [email protected]
+  rocminfo:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocprim:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocprofiler-dev:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocrand:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocsolver:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocsparse:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  rocthrust:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]
+  roctracer-dev:
+    buildable: false
+    externals:
+    - prefix: /appl/lumi/SW/CrayEnv/EB/rocm/5.6.1
+      spec: [email protected]

configs/CSC-LUMI-HPECray-zen3-MI250X-Slingshot/spack.yaml

@@ -0,0 +1,26 @@
+# Copyright 2023 Lawrence Livermore National Security, LLC and other
+# Benchpark Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: Apache-2.0
+
+spack:
+  packages:
+    default-compiler:
+      spack_spec: cce@16
+    default-mpi:
+      spack_spec: [email protected]%cce ~gtl
+    compiler-rocm:
+      spack_spec: cce@16
+    blas-rocm:
+      spack_spec: [email protected]
+    blas:
+      spack_spec: cray-libsci@23
+    lapack:
+      spack_spec: cray-libsci@23
+    mpi-rocm-gtl:
+      spack_spec: [email protected]%cce +gtl
+    mpi-rocm-no-gtl:
+      spack_spec: [email protected]%cce ~gtl
+    mpi-gcc:
+      spack_spec: [email protected]%gcc ~gtl
+