charmm
CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a versatileand widely used molecular simulation program with broad application to many-particle systems.charmm provides all the functionality of CHARMM except its performance enhancements. This software is licensed. Please visit https://contact.icer.msu.edu/licensing to agree to the license and gain access to this software.
Available modules
The overview below shows which charmm installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using charmm, load one of these modules using a module load command like:
module load charmm/48b2-foss-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 | |
| charmm/48b2-foss-2023a | - | x | - | - | - | - |