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:
Version | Installation Path | modulefile |
---|---|---|
Modules for running on CPUs | ||
Gaussian 16 Revision C.02 | /sw/chem/g16/g16_C02/skl/g16 | gaussain/g16_revC02 |
Modules for running on GPUs | ||
Gaussian 16 Revision C.02 | /sw/chem/g16/g16_C02/a100/g16 | gaussain/g16_revC02 |
Example Jobscripts
#!/bin/bash #SBATCH -p module load