numsa
Numerical surface area integrator for molecular inputs.This project is based on routines from xtb and dftb+.
https://github.com/grimme-lab/CPCM-X
Available modules
The overview below shows which numsa installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using numsa, load one of these modules using a module load command like:
module load numsa/0.2.0-gfbf-2024a
(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 | |
| numsa/0.2.0-gfbf-2024a | - | x | - | - | - | - |