Please do the following
unset MPI_LIB
unset LIBMPI
unset MPI_INCLUDE
cd $NWCHEM_TOP/src
rm -f 32_to_64 64_to_32
make 64_to_32
export BLAS_SIZE=4
export SCALAPACK_SIZE=4
export USE_64TO32=y
rm -rf tools/build tools/install
make >& make.log
Further information can be find at
http://nwchemgit.github.io/index.php/Compiling_NWChem#NWChem_6.6_on_Centos_7.1
http://nwchemgit.github.io/index.php/Compiling_NWChem#Optimized_math_libraries
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