Compiling NWCHEM in a local university cluster

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Forum Vet

1:35:00 PM PDT - Tue, Oct 20th 2015
Please unset MPI_LIB, MPI_INCLUDE and LIBMPI, e.g. unset MPI_LIB unset MPI_INCLUDE unset LIBMPI The only requisite is to have mpif90 in your PATH. More details at https://nwchemgit.github.io/index.php/Compiling_NWChem#MPI_variables