| 2:53:11 PM PST - Fri, Dec 6th 2013 |
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I have made nwchem directory in workspace/mnazanin (workspace/mnazanin/nwchem) and untarred Nwchem-6.3.revision2-src.2013-10-17.tar.gz in nwchem directory. However, I could find MPI in "/export/apps/pgi/linux86/9.0-3/EXAMPLES/MPI".
I used "setenv MPI_LIB export/apps/pgi/linux86/9.0-3/EXAMPLES/MPI/lib" and "setenv MPI_INCLUDE export/apps/pgi/linux86/9.0-3/EXAMPLES/MPI/include" commands.
In "Building the NWChem binary" step, I used "cd $NWCHEM_TOP/src" command and I got "workspace/mnazanin/nwchem/src: No such file or directory." message. However, I used "setenv NWCHEM_TOP workspace/mnazanin/nwchem" to defines the top directory of the NWChem source tree.
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