mirror of https://github.com/QMCPACK/qmcpack.git
commit
9f4c5f5877
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@ -7,21 +7,21 @@ FILE( WRITE "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/src_mkl.cxx"
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"#include <iostream>\n #include <mkl.h>\n int main() { return 0; }\n" )
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try_compile(HAVE_MKL ${CMAKE_BINARY_DIR}
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${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/src_mkl.cxx
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CMAKE_FLAGS "${CMAKE_CXX_FLAGS} -mkl" )
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COMPILE_DEFINITIONS "-mkl" )
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# Check for mkl_vml_functions.h
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FILE( WRITE "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/src_mkl_vml.cxx"
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"#include <iostream>\n #include <mkl_vml_functions.h>\n int main() { return 0; }\n" )
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try_compile(HAVE_MKL_VML ${CMAKE_BINARY_DIR}
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${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/src_mkl_vml.cxx
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CMAKE_FLAGS "${CMAKE_CXX_FLAGS} -mkl" )
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COMPILE_DEFINITIONS "-mkl" )
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# Check for fftw3
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FILE( WRITE "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/src_mkl_fftw3.cxx"
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"#include <iostream>\n #include <fftw/fftw3.h>\n int main() { return 0; }\n" )
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try_compile(HAVE_MKL_FFTW3 ${CMAKE_BINARY_DIR}
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${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/src_mkl_fftw3.cxx
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CMAKE_FLAGS "${CMAKE_CXX_FLAGS} -mkl" )
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COMPILE_DEFINITIONS "-mkl" )
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IF ( HAVE_MKL )
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SET( MKL_FOUND 1 )
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@ -0,0 +1,38 @@
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#!/bin/bash
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Compiler=Clang++11
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for name in real_SoA real_SoA_MP cplx_SoA cplx_SoA_MP \
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real real_MP cplx cplx_MP
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do
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CMAKE_FLAGS="-D CMAKE_TOOLCHAIN_FILE=../config/BGQ_${Compiler}_ToolChain.cmake"
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if [[ $name == *"cplx"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_COMPLEX=1"
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fi
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if [[ $name == *"_SoA"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D ENABLE_SOA=1"
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fi
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if [[ $name == *"_MP"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_MIXED_PRECISION=1"
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fi
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folder=build_${Compiler}_${name}
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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 ..
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cmake $CMAKE_FLAGS ..
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fi
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make -j24
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cd ..
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echo
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done
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@ -0,0 +1,45 @@
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module unload cray-libsci
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module load cray-hdf5-parallel
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export CC=cc
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export CXX=CC
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export BOOST_ROOT=/soft/libraries/boost/1.64.0/intel
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export CRAYPE_LINK_TYPE=dynamic
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#TYPE=RelWithDebInfo
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TYPE=Release
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Compiler=Intel
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for name in real_SoA real_SoA_MP cplx_SoA cplx_SoA_MP \
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real real_MP cplx cplx_MP
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do
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CMAKE_FLAGS="-D CMAKE_BUILD_TYPE=$TYPE"
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if [[ $name == *"cplx"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_COMPLEX=1"
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fi
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if [[ $name == *"_SoA"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D ENABLE_SOA=1"
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fi
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if [[ $name == *"_MP"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_MIXED_PRECISION=1"
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fi
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folder=build_KNL_${Compiler}_${name}
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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 ..
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fi
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make -j32
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cd ..
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echo
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done
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