a computational chemistry application provided by Gaussian, Inc.

License agreement

In order to use Gaussian you have to  agree to the following conditions.

1. I am not a member of a research group developing software competitive to Gaussian.

2. I will not copy the Gaussian software, or make it available to anyone else.

3. I will properly acknowledge Gaussian Inc. in publications.

Please contact support with a copy of the following statement, to add your user ID to the Gaussian UNIX group.

Limitations

"Linda parallelism", Cluster/network parallel execution of Gaussian, is not supported at any of our systems. Only "shared-memory multiprocessor parallel execution" is supported, therefore no Gaussian job can use more than a single compute node.

Description

Prerequisites

QuickStart

Environment modules

The following versions have been installed:

Example Jobscripts

#!/bin/bash
#SBATCH -p

module load