export NWCHEM_TOP=/Users/me/nwchem-6.6
export NWCHEM_MODULES="all"
export NWCHEM_TARGET=MACX64
export USE_MPI="y"
export USE_MPIF="y"
export USE_MPIF4="y"
cd $NWCHEM_TOP/src
make nwchem_config
make
Hi, I try to rebuild NWChem with OpenBLAS (macport). But...
My-PC:src me$ make
NWChem's Performance is degraded by not setting BLASOPT
Please consider using ATLAS, GotoBLAS2, OpenBLAS, Intel MKL,
IBM ESSL, AMD ACML, etc. to improve performance.
If you decide to not use a fast implementation of BLAS/LAPACK,
please define USE_INTERNALBLAS=y and the internal Netlib will be used.
|