mirror of https://github.com/QMCPACK/qmcpack.git
96 lines
2.5 KiB
Bash
Executable File
96 lines
2.5 KiB
Bash
Executable File
#!/bin/bash
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# This recipe is intended for NERSC Perlmutter https://docs.nersc.gov/systems/perlmutter
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# It builds all the varaints of QMCPACK in the current directory
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# last revision: Jan 14th 2025
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#
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# How to invoke this script?
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# build_nersc_perlmutter_Clang.sh # build all the variants assuming the current directory is the source directory.
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# build_nersc_perlmutter_Clang.sh <source_dir> # build all the variants with a given source directory <source_dir>
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# 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>
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module load PrgEnv-gnu
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module load cray-libsci
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CRAY_LIBSCI_LIB=$CRAY_PE_LIBSCI_PREFIX_DIR/lib/libsci_gnu_mp.so
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module unload PrgEnv-gnu
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module load craype cray-mpich
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module load cray-fftw
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module load cray-hdf5-parallel
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module load cmake/3.24.3
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module use /global/common/software/nersc/n9/llvm/modules
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module load llvm/17.0.6-gpu
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export MPICH_CC=clang
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export MPICH_CXX=clang++
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echo "**********************************"
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echo '$ clang -v'
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clang -v
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echo "**********************************"
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TYPE=Release
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Machine=perlmutter
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Compiler=Clang17
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if [[ $# -eq 0 ]]; then
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source_folder=`pwd`
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elif [[ $# -eq 1 ]]; then
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source_folder=$1
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else
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source_folder=$1
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install_folder=$2
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fi
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if [[ -f $source_folder/CMakeLists.txt ]]; then
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echo Using QMCPACK source directory $source_folder
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else
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echo "Source directory $source_folder doesn't contain CMakeLists.txt. Pass QMCPACK source directory as the first argument."
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exit
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fi
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for name in gpu_real_MP gpu_real gpu_cplx_MP gpu_cplx \
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cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx
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do
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CMAKE_FLAGS="-DCMAKE_BUILD_TYPE=$TYPE -DBLAS_LIBRARIES=$CRAY_LIBSCI_LIB"
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if [[ $name == *"cplx"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_COMPLEX=ON"
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fi
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if [[ $name == *"_MP"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_MIXED_PRECISION=ON"
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fi
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if [[ $name == *"gpu"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_GPU_ARCHS=sm_80"
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fi
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folder=build_${Machine}_${Compiler}_${name}
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if [[ -v install_folder ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -DCMAKE_INSTALL_PREFIX=$install_folder/$folder"
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fi
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echo "**********************************"
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echo "$folder"
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echo "$CMAKE_FLAGS"
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echo "**********************************"
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mkdir $folder
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cd $folder
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if [ ! -f CMakeCache.txt ] ; then
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cmake $CMAKE_FLAGS -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx $source_folder
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fi
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if [[ -v install_folder ]]; then
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make -j16 install && chmod -R -w $install_folder/$folder
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else
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make -j16
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fi
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cd ..
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echo
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done
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