Gaussian

Gaussian provides state-of-the-art capabilities for electronic structure modelling.

Known Problems & Limitations

Due to the additional license required to enable distributed memory parallel runs, Gaussian on this service can only take advantage of the multiple cores on a node but cannot run across nodes.

Gaussian Licensing

Gaussian is not available to all users by default. The license for version 09 is available to all; however, the license for version 16 is restricted. If you require access to the application, please contact the IT Service Desk for details.

More Information

For more information visit the Gaussian website.

Available Versions

These versions of Gaussian are available on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Version BEAR Apps Version
09 2019b
16.C.02-AVX2 2022a