mirror of https://github.com/QMCPACK/qmcpack.git
94 lines
2.5 KiB
Bash
Executable File
94 lines
2.5 KiB
Bash
Executable File
#!/bin/bash
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# This recipe is intended for ALCF Aurora https://www.alcf.anl.gov/support-center/aurora-sunspot
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# last revision: Jan 13th 2025
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#
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# How to invoke this script?
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# build_alcf_aurora_icpx.sh # build all the variants assuming the current directory is the source directory.
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# build_alcf_aurora_icpx.sh <source_dir> # build all the variants with a given source directory <source_dir>
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# build_alcf_aurora_icpx.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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for module_name in oneapi/release oneapi/eng-compiler
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do
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if module is-loaded $module_name ; then module unload $module_name; fi
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done
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module load oneapi/eng-compiler/2024.07.30.002
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module load cmake hdf5/1.14.3 boost/1.84.0
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module list >& module_list.txt
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echo "**********************************"
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echo '$ icpx -v'
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icpx -v
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echo "**********************************"
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TYPE=Release
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Machine=aurora
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Compiler=icpx20240629
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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 -DMPIEXEC_PREFLAGS='--cpu-bind;depth;-d;8'"
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unset CMAKE_CXX_FLAGS
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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=intel_gpu_pvc"
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CMAKE_CXX_FLAGS="-mllvm -vpo-paropt-atomic-free-reduction-slm=true"
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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 $folder"
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echo "CMAKE_FLAGS: $CMAKE_FLAGS"
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echo "CMAKE_CXX_FLAGS: $CMAKE_CXX_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 $CMAKE_FLAGS -DCMAKE_CXX_FLAGS="$CMAKE_CXX_FLAGS" \
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-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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