nwchem-6.6 ifort, segmentation fault


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Forum Vet
10:21:29 AM PST - Wed, Jan 13th 2016
I am not sure if I can help you here.
Are you stating that you can no longer reproduce what you described in the following post
http://nwchemgit.github.io/Special_AWCforum/sp/id6833
?

Clicked A Few Times
2:19:07 PM PST - Wed, Jan 13th 2016
I was stupid. It seems that I need to add export LIBMPI="-lmpi -lmpi_f77" then it works.
So now it works by doing
export MKLROOT=/opt/software/intel/composer_xe_2013.5.192/mkl/
export BLASOPT="-Wl,--start-group \
$MKLROOT/lib/intel64/libmkl_intel_ilp64.a \

$MKLROOT/lib/intel64/libmkl_core.a \

$MKLROOT/lib/intel64/libmkl_sequential.a \

-Wl,--end-group -lpthread -lm"
export BLAS_SIZE=8
cd $NWCHEM_TOP/src/tools
rm -rf build install
make FC=ifort
cd ..
make FC=ifort link


Forum >> NWChem's corner >> Compiling NWChem
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