mirror of https://github.com/QMCPACK/qmcpack.git
90 lines
3.0 KiB
Bash
Executable File
90 lines
3.0 KiB
Bash
Executable File
#!/usr/bin/env bash
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# This recipe is intended for NERSC Perlmutter https://docs.nersc.gov/systems/perlmutter/
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# It builds the CPU varaints of QMCPACK in the current directory
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# Last revision: 2023/01/13
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#
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# How to invoke this script?
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# build_nersc_perlmutter.sh # build all the variants assuming the current directory is the source directory
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# build_nersc_perlmutter.sh <source_dir> # build all the variants with a given source directory <source_dir>
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# build_nersc_perlmutter.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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# Load the required modules
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module load cpu
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module load PrgEnv-gnu
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module load cray-hdf5-parallel
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module load cray-fftw
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module load cmake
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module list
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# Make LibXml2 available to QMCPACK
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export CMAKE_PREFIX_PATH=/global/common/software/spackecp/perlmutter/e4s-22.05/78535/spack/opt/spack/cray-sles15-zen3/gcc-11.2.0/libxml2-2.9.13-u2ai4xjq2lmljvej4p3ly7qd6hfbrz7h:$CMAKE_PREFIX_PATH
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# On the date above, the loaded modules were:
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#Currently Loaded Modules:
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# 1) craype-x86-milan 4) xpmem/2.5.2-2.4_3.18__gd0f7936.shasta 7) cpe/22.11 10) cpu/1.0 13) cray-mpich/8.1.22 16) cray-hdf5-parallel/1.12.2.1
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# 2) libfabric/1.15.2.0 5) gcc/11.2.0 8) xalt/2.10.2 11) craype/2.7.19 14) cray-libsci/22.11.1.2 17) cray-fftw/3.3.10.2
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# 3) craype-network-ofi 6) perftools-base/22.09.0 9) darshan/3.4.0 12) cray-dsmml/0.2.2 15) PrgEnv-gnu/8.3.3 18) cmake/3.24.3
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TYPE=Release
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Machine=perlmutter
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Compiler=GNU
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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 $source_folder doesn't contain CMakeLists.txt. Pass QMCPACK source directory as the first argument."
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exit
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fi
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for name in cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx
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do
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CMAKE_FLAGS="-DCMAKE_BUILD_TYPE=$TYPE"
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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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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=cc -DCMAKE_CXX_COMPILER=CC -DCMAKE_SYSTEM_NAME=CrayLinuxEnvironment $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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