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use scalapack 2.0.2

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edoapra 2019-11-18 21:28:35 -08:00
parent 315bee48e2
commit c7f8ab92fb
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1 changed files with 16 additions and 5 deletions
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21
src/libext/scalapack/build_scalapa.sh
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@ -1,4 +1,10 @@
#!/bin/bash
if [[ -z "${NWCHEM_TOP}" ]]; then
dir3=$(dirname `pwd`)
dir2=$(dirname "$dir3")
NWCHEM_TOP=$(dirname "$dir2")
echo @@@@@@@TOP $NWCHEM_TOP
fi
if [[ "$SCALAPACK_SIZE" != "4" ]] ; then
echo SCALAPACK_SIZE must be equal to 4
exit 1
@ -17,8 +23,9 @@ fi
#git clone https://github.com/scibuilder/scalapack.git
#svn co --non-interactive --trust-server-cert https://icl.utk.edu/svn/scalapack-dev/scalapack/trunk/ scalapack
rm -rf scalapack*
curl -L http://www.netlib.org/scalapack/scalapack.tgz -o scalapack.tgz
#curl -L http://www.netlib.org/scalapack/scalapack-2.1.tgz -o scalapack.tgz
VERSION=2.0.2
curl -L http://www.netlib.org/scalapack/scalapack-${VERSION}.tgz -o scalapack.tgz
tar xzf scalapack.tgz
patch -p0 < mpistruct.patch
ln -sf scalapack-${VERSION} scalapack
@ -26,11 +33,15 @@ mkdir -p scalapack/build
cd scalapack/build
if [[ -n ${FC} ]] && [[ ${FC} == xlf ]] || [[ ${FC} == xlf_r ]] || [[ ${FC} == xlf90 ]]|| [[ ${FC} == xlf90_r ]]; then
Fortran_FLAGS=" -qintsize=4 -qextname "
elif [[ -n ${FC} ]] && [[ ${FC} == flang ]]; then
#unset FC=flang since cmake gets lost
unset FC
#elif [[ -n ${FC} ]] && [[ ${FC} == flang ]]; then
# unset FC=flang since cmake gets lost
# unset FC
fi
FFLAGS="$Fortran_FLAGS" cmake -Wno-dev ../ -DCMAKE_BUILD_TYPE=RelWithDebInfo -DCMAKE_Fortran_FLAGS="$Fortran_FLAGS" -DTEST_SCALAPACK=OFF -DBUILD_TESTING=OFF -DBUILD_SHARED_LIBS=OFF -DBLAS_openblas_LIBRARY="$BLASOPT" -DBLAS_LIBRARIES="$BLASOPT" -DLAPACK_openblas_LIBRARY="$BLASOPT" -DLAPACK_LIBRARIES="$BLASOPT"
if [[ ! -z "$BUILD_SCALAPACK" ]] ; then
echo TOP is "$NWCHEM_TOP"
Fortran_FLAGS+=-I"$NWCHEM_TOP"/src/libext/include
fi
FFLAGS="$Fortran_FLAGS" cmake --debug-trycompile -Wno-dev ../ -DCMAKE_BUILD_TYPE=RelWithDebInfo -DCMAKE_Fortran_FLAGS="$Fortran_FLAGS" -DTEST_SCALAPACK=OFF -DBUILD_TESTING=OFF -DBUILD_SHARED_LIBS=OFF -DBLAS_openblas_LIBRARY="$BLASOPT" -DBLAS_LIBRARIES="$BLASOPT" -DLAPACK_openblas_LIBRARY="$BLASOPT" -DLAPACK_LIBRARIES="$BLASOPT"
make V=0 -j3 scalapack/fast
mkdir -p ../../../lib
cp lib/libscalapack.a ../../../lib