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edoapra 2023-06-22 16:19:03 -07:00
parent 7c69aa1d97
commit ab00a9cebb
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GPG key ID: 48E12DA1EDE9E1B0
1 changed files with 28 additions and 29 deletions
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57
src/libext/elpa/build_elpa.sh
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@ -19,20 +19,22 @@ fi
tar xzf elpa-${VERSION}.tar.gz
ln -sf elpa-${VERSION} elpa
cd elpa
rm -f check_thread_affinity.patch
wget https://raw.githubusercontent.com/conda-forge/elpa-feedstock/main/recipe/check_thread_affinity.patch
patch -p2 -s -N < check_thread_affinity.patch
if [ ! -f configure ]; then
sh ./autogen.sh
fi
export SRCDIR=`pwd`
mkdir -p build
cd build
export SRCDIR=`pwd`
UNAME_S=$(uname -s)
if [[ ${UNAME_S} == Linux ]]; then
export ARFLAGS=rU
fi
MYCFLAGS+=" -Wno-error=implicit-function-declaration "
MYCFLAGS+=" -Wno-error=format "
if [[ ${UNAME_S} == Darwin ]]; then
rm -f check_thread_affinity.patch
wget https://raw.githubusercontent.com/conda-forge/elpa-feedstock/main/recipe/check_thread_affinity.patch
patch -p2 -s -N < check_thread_affinity.patch
if [[ -z "$HOMEBREW_PREFIX" ]]; then
HOMEBREW_PREFIX=/usr/local
fi
@ -45,7 +47,7 @@ fi
exit 1
else
echo FORTRAN_CPP is $FORTRAN_CPP
fi
fi
fi
if [[ "$FC" = "ftn" ]] ; then
MPIF90="ftn"
@ -88,9 +90,9 @@ else
GOTCLANG=$( "$MPICC" -dM -E - </dev/null 2> /dev/null |grep __clang__|head -1|cut -c19)
fi
if [[ ${GOTCLANG} == "1" ]] ; then
# if [[ ${UNAME_S} == Linux ]]; then
# export FORTRAN_CPP=/usr/bin/cpp
# fi
if [[ ${UNAME_S} == Linux ]]; then
export FORTRAN_CPP=/usr/bin/cpp
fi
MYCFLAGS+=" -Wno-error=implicit-function-declaration "
fi
# check gfortran version for arg check
@ -113,9 +115,9 @@ if [[ ${FC} == ifort ]] || [[ ${FC} == ifx ]] || [[ ${PE_ENV} == INTEL ]] ; then
# sixty4_int+=" --disable-mpi-module "
# MYCFLAGS+=" -fPIC"
#force CC=gcc
export I_MPI_CC=gcc
export I_MPI_FC=ifort
export CC=gcc
# export I_MPI_CC=gcc
# export CC=gcc
export USE_MANUALCPP=1
# MYLINK+=" -fPIC"
@ -123,7 +125,7 @@ if [[ ${FC} == ifort ]] || [[ ${FC} == ifx ]] || [[ ${PE_ENV} == INTEL ]] ; then
fi
if [[ ! -z "$MKLROOT" ]] ; then
if [[ ${BLAS_SIZE} == 8 ]]; then
SCALAPCK_FCFLAGS+=" -I${MKLROOT}/include/intel64/ilp64"
SCALAPACK_FCFLAGS+=" -I${MKLROOT}/include/intel64/ilp64"
else
SCALAPACK_FCFLAGS+=" -I${MKLROOT}/include/intel64/lp64"
fi
@ -148,20 +150,24 @@ echo I_MPI_F90 is "$I_MPI_F90"
if [[ -z "${FORCETARGET}" ]]; then
FORCETARGET="-disable-sse -disable-sse-assembly --disable-avx --disable-avx2 --disable-avx512 "
fi #FORCETARGET
if [[ "${USE_HWOPT}" != "0" ]] && [[ "${USE_HWOPT}" != "n" ]] &&[[ "${USE_HWOPT}" != "N" ]] && [[ ${UNAME_S} == Linux ]]; then
if [[ ${CC} == icx ]] ; then
MYCFLAGS+=" -xhost "
fi
if [[ "${USE_HWOPT}" != "0" ]] && [[ "${USE_HWOPT}" != "n" ]] && [[ "${USE_HWOPT}" != "N" ]] && [[ ${UNAME_S} == Linux ]]; then
if [[ ${UNAME_S} == Linux ]]; then
CPU_FLAGS=$(cat /proc/cpuinfo | grep flags |tail -n 1)
CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags |tail -n 1)
CPU_FLAGS=$(cat /proc/cpuinfo | grep flags | grep -v vmx\ flags |tail -n 1)
CPU_FLAGS_2=$(cat /proc/cpuinfo | grep flags |grep -v vmx\ flags | tail -n 1)
elif [[ ${UNAME_S} == Darwin ]]; then
CPU_FLAGS=$(/usr/sbin/sysctl -n machdep.cpu.features)
CPU_FLAGS_2=$(/usr/sbin/sysctl -n machdep.cpu.leaf7_features)
fi
echo examineHW0 CPUF ${CPU_FLAGS} ${CPU_FLAGS_2}
GOTSSE2=$(echo ${CPU_FLAGS} | tr 'A-Z' 'a-z'| awk ' /sse2/ {print "Y"}')
GOTAVX=$(echo ${CPU_FLAGS} | tr 'A-Z' 'a-z'| awk ' /avx/ {print "Y"}')
GOTAVX2=$(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 [[ ${CC} == icc ]] ; then
if [[ ${CC} == icc ]] || [[ ${CC} == icx ]] ; then
MYCFLAGS+=" -xhost "
elif [[ ${CC} == nvc ]] || [[ ${PE_ENV} == NVIDIA ]] ; then
MYCFLAGS+=" -tp native"
@ -182,7 +188,7 @@ fi
if [[ "${GOTAVX2}" == "Y" ]]; then
echo "using AVX2 instructions"
FORCETARGET=" --enable-sse-assembly --enable-avx --enable-avx2 --disable-avx512 "
# MYCFLAGS+=" -mmmx -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -maes -mavx -mfma -mavx2 "
# CFLAGS+=" -mmmx -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -maes -mavx -mfma -mavx2 "
fi
if [[ "${GOTAVX512}" == "Y" ]]; then
echo "using AVX512 instructions"
@ -199,9 +205,6 @@ if [[ `${CC} -dM -E - < /dev/null 2> /dev/null | grep -c GNU` > 0 ]] ; then
fi
fi
# patch affinity
#mkdir -p build
#cd build
if [[ ! -z "${BUILD_SCALAPACK}" ]]; then
MYLINK+=" -L${NWCHEM_TOP}/src/libext/lib -lnwc_scalapack"
fi
@ -221,21 +224,17 @@ echo MYFCFLAGS is $MYFCFLAGS
echo MYCFLAGS is $MYCFLAGS
echo 64ints is $sixty4_int
echo MYLINK is "${MYLINK}"
echo FORCETARGET is "${FORCETARGET}"
export SCALAPACK_LDFLAGS="${MYLINK}"
export SCALAPACK_FCFLAGS+="${MYLINK}"
export LIBS="${MYLINK}"
export FC=$MPIF90
export CC=$MPICC
#hack
#MYFCFLAGS="-O3 -xAVX2"
#MYCFLAGS="-O3 -march=native -mavx2 -mfma -funsafe-loop-optimizations -funsafe-math-optimizations -ftree-vect-loop-version -ftree-vectorize"
FC=$MPIF90 CC=$MPICC ../configure \
--enable-option-checking=fatal \
$sixty4_int \
CFLAGS="$MYCFLAGS" \
FCFLAGS="$MYFCFLAGS" \
SCALAPACK_LDFLAGS="$SCALAPACK_LDFLAGS" \
SCALAPACK_FCFLAGS="$SCALAPACK_FCFLAGS" \
$sixty4_int \
--disable-option-checking \
--enable-option-checking=fatal \
--disable-dependency-tracking \
--disable-shared --enable-static \
--disable-c-tests \
@ -249,13 +248,13 @@ unset SCALAPACK_FCFLAGS
unset SCALAPACK_LDFLAGS
echo mpif90 is `which mpif90`
echo MPIF90 is "$MPIF90"
# make V=0 -j1 FC=$MPIF90 CC=$MPICC -l0.0001
# FC=$MPIF90 CC=$MPICC make V=1
if [[ "$USE_MANUALCPP" == 1 ]]; then
echo @@@@ MANUALCPP @@@
make FC="$SRCDIR/remove_xcompiler $SRCDIR/manual_cpp mpif90" -j5
else
make -j5
fi
# make V=0 -j1 FC=$MPIF90 CC=$MPICC -l0.0001
if [[ "$?" != "0" ]]; then
echo " "
echo "Elpa compilation failed"