GAMESS-US
The General Atomic and Molecular Electronic Structure System (GAMESS)is a general ab initio quantum chemistry package.This module can be used on a maximum of 1024 nodes and 1024 CPUs per node.
https://www.msg.chem.iastate.edu/gamess/
Available modules
The overview below shows which GAMESS-US installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using GAMESS-US, 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 | |
| GAMESS-US/20230930-R2-gompi-2023a | - | x | - | - | - | - | - |