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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,99 @@ | ||
| #!/bin/bash | ||
| # This recipe is intended for NERSC Perlmutter https://docs.nersc.gov/systems/perlmutter | ||
| # It builds all the varaints of QMCPACK in the current directory | ||
| # last revision: Aug 12th 2023 | ||
| # | ||
| # How to invoke this script? | ||
| # build_nersc_perlmutter_Clang.sh # build all the variants assuming the current directory is the source directory. | ||
| # build_nersc_perlmutter_Clang.sh <source_dir> # build all the variants with a given source directory <source_dir> | ||
| # build_nersc_perlmutter_Clang.sh <source_dir> <install_dir> # build all the variants with a given source directory <source_dir> and install to <install_dir> | ||
|
|
||
| module load PrgEnv-gnu | ||
| module load cray-libsci | ||
| CRAY_LIBSCI_LIB=$CRAY_LIBSCI_PREFIX_DIR/lib/libsci_gnu_mp.so | ||
|
|
||
| module load PrgEnv-llvm/0.1 llvm/16 | ||
| module load cray-fftw/3.3.10.3 | ||
| module load cray-hdf5-parallel/1.12.2.3 | ||
| module load cmake/3.24.3 | ||
|
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||
|
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| echo "**********************************" | ||
| echo '$ clang -v' | ||
| clang -v | ||
| echo "**********************************" | ||
|
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| TYPE=Release | ||
| Machine=perlmutter | ||
| Compiler=Clang16 | ||
|
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||
| if [[ $# -eq 0 ]]; then | ||
| source_folder=`pwd` | ||
| elif [[ $# -eq 1 ]]; then | ||
| source_folder=$1 | ||
| else | ||
| source_folder=$1 | ||
| install_folder=$2 | ||
| fi | ||
|
|
||
| if [[ -f $source_folder/CMakeLists.txt ]]; then | ||
| echo Using QMCPACK source directory $source_folder | ||
| else | ||
| echo "Source directory $source_folder doesn't contain CMakeLists.txt. Pass QMCPACK source directory as the first argument." | ||
| exit | ||
| fi | ||
|
|
||
| for name in offload_cuda_real_MP offload_cuda_real offload_cuda_cplx_MP offload_cuda_cplx \ | ||
| cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx | ||
| do | ||
|
|
||
| CMAKE_FLAGS="-DCMAKE_BUILD_TYPE=$TYPE -DBLAS_LIBRARIES=$CRAY_LIBSCI_LIB" | ||
|
|
||
| if [[ $name == *"cplx"* ]]; then | ||
| CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_COMPLEX=ON" | ||
| fi | ||
|
|
||
| if [[ $name == *"_MP"* ]]; then | ||
| CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_MIXED_PRECISION=ON" | ||
| fi | ||
|
|
||
| if [[ $name == *"offload"* || $name == *"cuda"* ]]; then | ||
| CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_GPU_ARCHS=sm_80" | ||
| fi | ||
|
|
||
| if [[ $name == *"offload"* ]]; then | ||
| CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_OFFLOAD=ON" | ||
| fi | ||
|
|
||
| if [[ $name == *"cuda"* ]]; then | ||
| CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_CUDA=ON" | ||
| fi | ||
|
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||
| folder=build_${Machine}_${Compiler}_${name} | ||
|
|
||
| if [[ -v install_folder ]]; then | ||
| CMAKE_FLAGS="$CMAKE_FLAGS -DCMAKE_INSTALL_PREFIX=$install_folder/$folder" | ||
| fi | ||
|
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||
| echo "**********************************" | ||
| echo "$folder" | ||
| echo "$CMAKE_FLAGS" | ||
| echo "**********************************" | ||
|
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| mkdir $folder | ||
| cd $folder | ||
|
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| if [ ! -f CMakeCache.txt ] ; then | ||
| cmake $CMAKE_FLAGS -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx $source_folder | ||
| fi | ||
|
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||
| if [[ -v install_folder ]]; then | ||
| make -j16 install && chmod -R -w $install_folder/$folder | ||
| else | ||
| make -j16 | ||
| fi | ||
|
|
||
| cd .. | ||
|
|
||
| echo | ||
| done |
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