mirror of https://github.com/QMCPACK/qmcpack.git
96 lines
2.6 KiB
Bash
Executable File
96 lines
2.6 KiB
Bash
Executable File
#!/bin/bash
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# This recipe is intended for ALCF Polaris https://www.alcf.anl.gov/polaris
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# It builds all the varaints of QMCPACK in the current directory
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# last revision: Aug 17th 2022
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#
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# How to invoke this script?
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# build_alcf_polaris_Clang.sh # build all the variants assuming the current directory is the source directory.
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# build_alcf_polaris_Clang.sh <source_dir> # build all the variants with a given source directory <source_dir>
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# build_alcf_polaris_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 mpiwrappers/cray-mpich-llvm llvm/release-15.0.0
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module load cudatoolkit-standalone/11.2.2
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module load cray-fftw/3.3.8.13
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module load cray-hdf5-parallel/1.12.1.3
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module load cmake/3.23.2
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export BOOST_ROOT=/soft/applications/qmcpack/boost_1_79_0
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export CMAKE_PREFIX_PATH=/soft/libraries/openblas/0.3.20-omp:$CMAKE_PREFIX_PATH
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echo "**********************************"
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echo '$ clang -v'
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clang -v
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echo "**********************************"
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TYPE=Release
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Machine=polaris
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Compiler=Clang
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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 $source_folder doesn't contain CMakeLists.txt. Pass QMCPACK source directory as the first argument."
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exit
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fi
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for name in offload_cuda_real_MP offload_cuda_real offload_cuda_cplx_MP offload_cuda_cplx \
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cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx
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do
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CMAKE_FLAGS="-DCMAKE_BUILD_TYPE=$TYPE"
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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 [[ $name == *"offload"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_OFFLOAD=ON -DUSE_OBJECT_TARGET=ON -DOFFLOAD_ARCH=sm_80"
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fi
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if [[ $name == *"cuda"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_CUDA=ON -DCMAKE_CUDA_ARCHITECTURES=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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