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disabled SIMD instructions for Elpa

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edoapra 2021-10-13 16:23:02 -07:00
parent 334c050c7d
commit 030c61a79c
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GPG key ID: 472C4EBB4F3AEDFA
1 changed files with 16 additions and 15 deletions
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31
src/libext/elpa/build_elpa.sh
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@ -48,7 +48,7 @@ if [[ -z "${FC}" ]]; then
fi
if [[ -z "${FORCETARGET}" ]]; then
FORCETARGET=" -disable-sse-assembly --disable-avx --disable-avx2 --disable-avx512 "
FORCETARGET="-disable-sse -disable-sse-assembly --disable-avx --disable-avx2 --disable-avx512 "
if [[ ${UNAME_S} == Linux ]]; then
CPU_FLAGS=$(cat /proc/cpuinfo | grep flags |tail -n 1)
CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags |tail -n 1)
@ -61,20 +61,20 @@ fi
GOTAVX2=$(echo ${CPU_FLAGS_2} | tr 'A-Z' 'a-z'| awk ' /avx2/ {print "Y"}')
GOTAVX512=$(echo ${CPU_FLAGS} | tr 'A-Z' 'a-z'| awk ' /avx512f/{print "Y"}')
GOTCLZERO=$(echo ${CPU_FLAGS} | tr 'A-Z' 'a-z'| awk ' /clzero/{print "Y"}')
if [[ ${UNAME_S} == Linux ]]; then
if [[ "${GOTAVX}" == "Y" ]]; then
echo "using AVX instructions"
FORCETARGET=" --enable-sse-assembly --enable-avx --disable-avx2 --disable-avx512 "
fi
if [[ "${GOTAVX2}" == "Y" ]]; then
echo "using AVX2 instructions"
FORCETARGET=" --enable-sse-assembly --enable-avx --enable-avx2 --disable-avx512 "
fi
#if [[ ${UNAME_S} == Linux ]]; then
# if [[ "${GOTAVX}" == "Y" ]]; then
# echo "using AVX instructions"
# FORCETARGET=" --enable-sse-assembly --enable-avx --disable-avx2 --disable-avx512 "
# fi
# if [[ "${GOTAVX2}" == "Y" ]]; then
# echo "using AVX2 instructions"
# FORCETARGET=" --enable-sse-assembly --enable-avx --enable-avx2 --disable-avx512 "
# fi
# if [[ "${GOTAVX512}" == "Y" ]]; then
# echo "using AVX512 instructions"
# FORCETARGET=" --enable-sse-assembly --enable-avx --enable-avx2 --enable-avx512 "
# fi
fi #Linux
#fi #Linux
fi #FORCETARGET
if [[ -z "${BLAS_SIZE}" ]]; then
BLAS_SIZE=8
@ -123,11 +123,12 @@ echo 64ints is $sixty4_int
${FORCETARGET} \
--disable-shared --enable-static \
--disable-gpu \
--disable-mpi-module \
--prefix=${NWCHEM_TOP}/src/libext \
SCALAPACK_FCFLAGS="-L${NWCHEM_TOP}/src/libext/lib -lnwc_scalapack -lnwc_openblas" \
SCALAPACK_LDFLAGS="-L${NWCHEM_TOP}/src/libext/lib -lnwc_scalapack -lnwc_openblas" \
LIBS="-L${NWCHEM_TOP}/src/libext/lib -lnwc_scalapack -lnwc_openblas"
make VERBOSE=0 V=0 -j3
SCALAPACK_FCFLAGS="-L${NWCHEM_TOP}/src/libext/lib -lnwc_scalapack -lnwc_openblas -lpthread" \
SCALAPACK_LDFLAGS="-L${NWCHEM_TOP}/src/libext/lib -lnwc_scalapack -lnwc_openblas -lpthread" \
LIBS="-L${NWCHEM_TOP}/src/libext/lib -lnwc_scalapack -lnwc_openblas -lpthread"
make FC=$MPIF90 CC=$MPICC VERBOSE=0 V=0 -j3
if [[ "$?" != "0" ]]; then
echo " "
echo "Elpa compilation failed"