| 11:54:56 AM PDT - Wed, Aug 14th 2013 |
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Hee
The nwchem binary extracted from the tarball you have downloaded is not built against MPI, but against TCGMSG, instead.
Therefore, mpirun should not be used to launch nwchem parallel jobs in this case, but the included parallel binary, instead.
More details at
http://nwchemgit.github.io/index.php/Release62:Running#Parallel_execution_on_UNIX-based_para...
However, I strongly recommend you to either download the more recent nwchem 6.3 source and install NWChem by compiling the source code.
Cheers, Edo
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