Gaussian provides state-of-the-art capabilities for electronic structure modelling.
Accessing Gaussian 16.C.02-AVX2
To load the module for Gaussian 16.C.02-AVX2 please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):
module load bear-apps/2022a
module load Gaussian/16.C.02-AVX2
BEAR Apps Version
The listed architectures consist of two part: OS-CPU. The OS used 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.
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 22nd June 2023