NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.
The following versions of NWChem are available on OSC clusters:
| Version | Owens | Pitzer |
|---|---|---|
| 6.6 | X | |
| 6.8 | X | X |
| 7.0 | X* | X* |
You can use module spider nwchem to view available modules for a given machine. Feel free to contact OSC Help if you need other versions for your work.
NWChem is available to all OSC users. If you have any questions, please contact OSC Help.
EMSL, Pacific Northwest National Lab., Open source
module load nwchem. The default version will be loaded. To select a particular NWChem version, use module load nwchem/version. For example, use module load nwchem/6.6 to load NWChem 6.6.module load nwchem. The default version will be loaded.