Amber
Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction.
https://ambermd.org/amber.html
Available modules
The overview below shows which Amber installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using Amber, load one of these modules using a module load command like:
1 | |
(This data was automatically generated on Thu, 27 Mar 2025 at 12:00:24 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 | |
| Amber/24.3-foss-2023b-AmberTools-24.8-CUDA-12.4.0 | - | - | x | x | x | - | x |
| Amber/22.5-foss-2023a-AmberTools-23.6-CUDA-12.1.1 | - | - | - | x | x | - | x |
| Amber/22.4-foss-2022a-AmberTools-22.5-CUDA-11.7.0 | - | - | - | - | - | x | - |