ASAP3¶
ASAP is a calculator for doing large-scale classical molecular dynamics within the Campos Atomic Simulation Environment (ASE).
homepage: https://wiki.fysik.dtu.dk/asap/
Available installations¶
| ASAP3 version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 3.13.11 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4, zen5Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2025.06 | ASAP3/3.13.11-foss-2025b |
| 3.13.10 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4, zen5Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2025.06 | ASAP3/3.13.10-foss-2025b |