Difference between revisions of "NWChem"
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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: | + | NWChem is installed on the Brems cluster in the /brems/nwchem/ directory. Here is an example of running the single-processor version of NWChem: |
<pre> | <pre> | ||
brems:~/nwchem_examples/ethane_qmmm$ nwchem-single ethane_qmmm.nw | brems:~/nwchem_examples/ethane_qmmm$ nwchem-single ethane_qmmm.nw | ||
</pre> | </pre> | ||
| + | |||
| + | The multiple-processor version of NWChem (using mpich) will be coming soon. | ||
Latest revision as of 18:55, 27 July 2007
NWChem is installed on the Brems cluster in the /brems/nwchem/ directory. 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.