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:
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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.