Compiling latest nwchem latest snapshot without mpi
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Forum Vet
9:44:09 AM PDT - Tue, Sep 2nd 2014
Please set
export USE_MPI=y
export MPI_HOME=/opt/openmpi
export MPI_INCLUDE=$MPI_HOME/include
export MPI_LIB=$MPI_HOME/lib
export LIBMPI="-pthread -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl"