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.
Availability and Restrictions
The following versions of NWChem are available on OSC clusters:
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.
Publisher/Vendor/Repository and License Type
EMSL, Pacific Northwest National Lab., Open source
Usage on Owens
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.
Usage on Pitzer
module load nwchem. The default version will be loaded.