nwchem-6.6 ifort, segmentation fault

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Forum Vet

12:54:40 PM PST - Mon, Jan 11th 2016

Please try the following


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