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:

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

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