OpenMolcas
OpenMolcas is a quantum chemistry software package.
https://gitlab.com/Molcas/OpenMolcas
Available modules
The overview below shows which OpenMolcas installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using OpenMolcas, load one of these modules using a module load command like:
module load OpenMolcas/23.06-intel-2023a
(This data was automatically generated on Thu, 22 Jan 2026 at 12:03:27 EST)
| gateway | generic | zen2 | zen3 | zen4 | skylake_avx512 | |
|---|---|---|---|---|---|---|
| Gateway nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | intel18,amd20-v100,amd21,intel21 | |
| OpenMolcas/23.06-intel-2023a | - | x | - | - | - | - |