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Merge pull request #4391 from ye-luo/sunspot-recipe
Add initial ALCF Sunspot build recipe.
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#!/bin/bash | ||
# This recipe is intended for ALCF Sunspot https://www.alcf.anl.gov/support-center/aurora-sunspot | ||
# last revision: Jan 8th 2023 | ||
# | ||
# How to invoke this script? | ||
# build_alcf_sunspot_icpx.sh # build all the variants assuming the current directory is the source directory. | ||
# build_alcf_sunspot_icpx.sh <source_dir> # build all the variants with a given source directory <source_dir> | ||
# build_alcf_sunspot_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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module load spack libxml2 cmake | ||
module load cray-hdf5/1.12.2.1 | ||
module load oneapi/eng-compiler/2022.12.30.002 | ||
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module list >& module_list.txt | ||
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# edit this line for your own boost header files. | ||
export BOOST_ROOT=/home/yeluo/opt/boost_1_80_0 | ||
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echo "**********************************" | ||
echo '$ icpx -v' | ||
icpx -v | ||
echo "**********************************" | ||
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TYPE=Release | ||
Machine=sunspot | ||
Compiler=icpx | ||
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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 | ||
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if [[ -f $source_folder/CMakeLists.txt ]]; then | ||
echo Using QMCPACK source directory $source_folder | ||
else | ||
echo "Source directory $source_folder doesn't contain CMakeLists.txt. Pass QMCPACK source directory as the first argument." | ||
exit | ||
fi | ||
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for name in offload_sycl_real_MP offload_sycl_real offload_sycl_cplx_MP offload_sycl_cplx \ | ||
cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx | ||
do | ||
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CMAKE_FLAGS="-DCMAKE_BUILD_TYPE=$TYPE" | ||
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if [[ $name == *"cplx"* ]]; then | ||
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_COMPLEX=ON" | ||
fi | ||
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if [[ $name == *"_MP"* ]]; then | ||
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_MIXED_PRECISION=ON" | ||
fi | ||
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if [[ $name == *"offload"* ]]; then | ||
CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_OFFLOAD=ON" | ||
fi | ||
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if [[ $name == *"sycl"* ]]; then | ||
CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_SYCL=ON" | ||
fi | ||
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folder=build_${Machine}_${Compiler}_${name} | ||
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if [[ -v install_folder ]]; then | ||
CMAKE_FLAGS="$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_CXX_FLAGS="-mllvm -vpo-paropt-atomic-free-reduction-slm=true" \ | ||
-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 | ||
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cd .. | ||
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echo | ||
done |