| 3:24:14 PM PST - Mon, Jan 23rd 2017 |
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These are my settings for a quikc compilation of a small NWChem binary on MacOS Sierra using OpenMPi from Homebrew
export NWCHEM_TOP=............
export NWCHEM_TARGET=MACX64
export NWCHEM_MODULES='nwdft driver stepper vib hessian property solvation'
export USE_MPI=y
export EVENT_NOKQUEUE=1
export USE_INTERNALBLAS=y
unset BLASOPT
unset BLAS_LIB
unset LAPACK_LIB
unset MPI_LIB
unset MPI_INCLUDE
unset LIBMPI
export PATH=/usr/local/Cellar/open-mpi/2.0.1/bin/:$PATH
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