Gaussian provides state-of-the-art capabilities for electronic structure modelling.
Accessing Gaussian 09
To load the module for Gaussian 09 please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):
module load Gaussian/09
BEAR Apps Version
The listed architectures consist of two part: OS-CPU.
- BlueBEAR: The OS used on BlueBEAR is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
- BEAR Cloud and CaStLeS VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.
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 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.
For more information visit the Gaussian website.
Last modified on 20th July 2020