NWChem

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Revision as of 18:54, 27 July 2007 by Oborn (talk | contribs)
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NWChem is installed on the Brems cluster in /brems/nwchem. Here is an example of running the single-processor version of NWChem:

brems:~/nwchem_examples/ethane_qmmm$ nwchem-single ethane_qmmm.nw

The multiple-processor version of NWChem (using mpich) will be coming soon.