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make.inc.cori.intel.knl
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make.inc.cori.intel.knl
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#==============================================================================
# Exciting-Plus make.inc file for Cori-KNL (NERSC) with Cray compiler wrappers
# Last edited: Jun 22, 2020 (WYP)
#==============================================================================
MAKE = make
COMPILER = intel-knl
# Compiler switch to turn on the preprocessor
CPP_OPTS = -fpp
# Add your custom preprocessor defines here
#CPP_OPTS +=
# Common compile time options
F90_OPTS = $(CPP_OPTS)
# Add your common compile time options here
#F90_OPTS += -qopt-report -qopt-report-phase=loop,openmp,par,vec # optimizer output
F90_OPTS += -xMIC-AVX512 # compile for KNL
#==============================================================================
# MPI
#==============================================================================
F90 = ftn
CC = cc
CXX = CC
MPI_CPP_OPTS = -D_MPI_
CPP_OPTS += $(MPI_CPP_OPTS)
#==============================================================================
# OpenMP
#==============================================================================
# These are passed at compile time and link time
# Don't forget to `export OMP_STACKSIZE=2G` at runtime
OMP_OPTS = -qopenmp
#==============================================================================
# Serial compiler (for utilities)
#==============================================================================
F90SERIAL = ifort
F90_OPTS_SERIAL = $(filter-out $(OMP_OPTS),$(filter-out $(MPI_CPP_OPTS),$(F90_OPTS)))
#==============================================================================
# Compiler and linker options
#==============================================================================
# Debugging
#F90_OPTS += -g
#F90_LINK_OPTS = $(F90_OPTS)
#EXE_SFX = dbg
# Debugging with extra checks
# (Don't forget to enable core dump generation using `ulimit -c unlimited`)
#F90_OPTS += -g -O0 -debug all -check bounds -traceback -warn all
#F90_LINK_OPTS = $(F90_OPTS)
#EXE_SFX = dbgchk
# Optimization level 3 plus automatic MKL, loop unrolling,
# interprocedural optimization
F90_OPTS += -g -O3 -ip -ipo -funroll-loops -march=knl -mkl
F90_LINK_OPTS = $(F90_OPTS) -ipo -fpic
EXE_SFX = opt
# Profiling
#F90_OPTS += -p -g -O3 -ip -ipo -funroll-loops -march=knl -mkl
#F90_LINK_OPTS = $(F90_OPTS) -ipo -fpic
#EXE_SFX = prof
# Fully optimized build
#F90_OPTS += -g -Ofast -ip -ipo -funroll-loops -march=knl -mkl
#F90_LINK_OPTS = $(F90_OPTS) -ipo -fpic
#EXE_SFX = fast
# Profiling, fully optimized
#F90_OPTS += -p -g -Ofast -ip -ipo -funroll-loops -march=knl -mkl
#F90_LINK_OPTS = $(F90_OPTS) -ipo -fpic
#EXE_SFX = fastprof
#==============================================================================
# BLAS and LAPACK
#==============================================================================
# Use Intel MKL
MKL_INC_OPTS = -I${MKLROOT}/include
F90_OPTS += $(MKL_INC_OPTS)
LAPACK_LIB = -L${MKLROOT}/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl
#==============================================================================
# HDF5
#==============================================================================
# To disable, comment these three lines
# Make sure to `module load hdf5`
HDF5_INC = -I${HDF5_ROOT}/include
HDF5_LIB = -L${HDF5_ROOT}/lib -lhdf5_fortran -lhdf5_cpp -lhdf5_hl -lhdf5 -ldl
HDF5_CPP_OPTS = -D_HDF5_
CPP_OPTS += $(HDF5_CPP_OPTS)
F90_OPTS += $(HDF5_INC)
#==============================================================================
# Other libraries (retained here for historical purposes)
#==============================================================================
# ==- compile with libXC support ===
#CPP_OPTS := $(CPP_OPTS) -D_LIBXC_
#XC_LIB =
# ==- compile with NFFT support ===
#CPP_OPTS := $(CPP_OPTS) -D_NFFT_
#NFFT_INC = -I$(HOME)/local/include
#NFFT_LIB = $(HOME)/local/lib/libnfft3.a $(HOME)/local/lib/libfftw3.a
# === compile with Madness API ===
#CPP_OPTS := $(CPP_OPTS) -D_MAD_
#MADNESS_INC = -I$(HOME)/local/include
#MADNESS_LIB = -L$(HOME)/local/lib/ -lMADmra -lMADlinalg -lMADtensor -lMADmisc -lMADmuparser -lMADtinyxml -lMADworld -lmpichcxx -lstdc++
#==============================================================================
# List all libraries to link
#==============================================================================
LIBS = $(LAPACK_LIB) $(HDF5_LIB)