gamess

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Description

The General Atomic and Molecular Electronic Structure Systems (GAMESS) program simulates molecular quantum chemistry, allowing users to calculate various molecular properties and dynamics.

NGC Catalog

https://ngc.nvidia.com/catalog/containers/hpc:gamess

Available Versions on RCAC Clusters

Cluster	Versions
GILBRETH	17.09-r2-libcchem
SCHOLAR	17.09-r2-libcchem

Module

You can load the container module by:

module load ngc
module load gamess

Note for using gamess

Run module spider gamess beforehand to check available versions and any prerequisite modules.