Gaussian
Gaussian provides state-of-the-art capabilities for electronic structuremodeling. Gaussian 16 is licensed for a wide variety of computersystems. All versions of Gaussian 09 contain every scientific/modelingfeature, and none imposes any artificial limitations on calculationsother than your computing resources and patience.This is the official gaussian AVX2 build.
Available modules
The overview below shows which Gaussian installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using Gaussian, load one of these modules using a module load command like:
1 | |
(This data was automatically generated on Thu, 17 Apr 2025 at 12:00:12 EDT)
| neoverse_v1 | generic | zen2 | zen3 | zen4 | haswell | skylake_avx512 | |
|---|---|---|---|---|---|---|---|
| Grace Nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | intel16 | intel18,amd20-v100,amd21,intel21 | |
| Gaussian/16.C.01-AVX2 | - | x | - | - | - | - | - |
| Gaussian/16.C.01-AVX | - | x | - | - | - | - | - |
| Gaussian/16.B.01-AVX2 | - | x | - | - | - | - | - |
| Gaussian/16.B.01-AVX | - | x | - | - | - | - | - |
| Gaussian/16-AVX2 | - | x | - | - | - | - | - |
| Gaussian/16-AVX | - | x | - | - | - | - | - |