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Configuration for LUMI
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config/cray_gfortran.cfg
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68
config/cray_gfortran.cfg
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# On LUMI
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#
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# export SPACK_USER_PREFIX=$HOME/spack
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# module swap PrgEnv-cray/8.3.3 PrgEnv-gnu/8.3.3
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# module load spack/22.08
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# module load openblas/0.3.17-gcc-omp-xi
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# Common flags
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##############
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#
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# -ffree-line-length-none : Needed for IRPF90 which produces long lines
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# -lblas -llapack : Link with libblas and liblapack libraries provided by the system
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# -I . : Include the curent directory (Mandatory)
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#
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# --ninja : Allow the utilisation of ninja. (Mandatory)
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# --align=32 : Align all provided arrays on a 32-byte boundary
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#
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#
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[COMMON]
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FC : gfortran -ffree-line-length-none -I . -mavx -g -fPIC
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LAPACK_LIB : -L/appl/lumi/spack/22.08/0.18.1/opt/spack/openblas-0.3.17-xinceno/lib -lopenblas
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32 -DSET_NESTED
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# Global options
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################
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#
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# 1 : Activate
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# 0 : Deactivate
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#
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[OPTION]
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MODE : OPT ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
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CACHE : 0 ; Enable cache_compile.py
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OPENMP : 1 ; Append OpenMP flags
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# Optimization flags
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####################
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#
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# -Ofast : Disregard strict standards compliance. Enables all -O3 optimizations.
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# It also enables optimizations that are not valid
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# for all standard-compliant programs. It turns on
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# -ffast-math and the Fortran-specific
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# -fno-protect-parens and -fstack-arrays.
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[OPT]
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FCFLAGS : -Ofast -march=native
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# Profiling flags
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#################
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#
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[PROFILE]
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FC : -p -g
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FCFLAGS : -Ofast
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# Debugging flags
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#################
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#
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# -fcheck=all : Checks uninitialized variables, array subscripts, etc...
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# -g : Extra debugging information
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#
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[DEBUG]
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FCFLAGS : -fcheck=all -g
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# OpenMP flags
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#################
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#
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[OPENMP]
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FC : -fopenmp
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IRPF90_FLAGS : --openmp
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4
configure
vendored
4
configure
vendored
@ -99,7 +99,7 @@ PACKAGES=$(echo $PACKAGES | xargs)
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echo "export QP_ROOT=\"$QP_ROOT\"" > ${QP_ROOT}/etc/00.qp_root.rc
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echo "export QP_ROOT=\"$QP_ROOT\"" > ${QP_ROOT}/etc/00.qp_root.rc
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source quantum_package.rc
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source ${QP_ROOT}/quantum_package.rc
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@ -293,7 +293,7 @@ EOF
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done
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done
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source quantum_package.rc
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source ${QP_ROOT}/quantum_package.rc
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NINJA=$(find_exe ninja)
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NINJA=$(find_exe ninja)
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if [[ ${NINJA} = $(not_found) ]] ; then
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if [[ ${NINJA} = $(not_found) ]] ; then
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