NWChem Examples

Download example files here

Files include:

  • nwchem.pbs, PBS script
  • s2.nw, input file
  • s2.out, NWChem output
  • nwchem.out, standard output and error log file
Last Updated on Tuesday, 01 April 2014 09:25  

More on NWChem

Sample Jobs

Documentation

The User's Manual, release notes, tutorials and other documentation are available at http://www.emsl.pnl.gov/docs/nwchem/nwchem.html.

User Information

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Connect to PSC systems:

PSC Policies

For technical questions:
Call the PSC hotline: 412-268-6350 / 800-221-1641 or mail to remarks@psc.edu.

Other services PSC provides:

Advanced Networking: High-speed network design, testing and tuning

3ROX: High-speed network access

Biomedical Applications: Computational biomedical research and training