LAMMPS¶
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.
homepage: https://www.lammps.org
Available installations¶
| LAMMPS version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 29Aug2024 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2023.06 | LAMMPS/29Aug2024-foss-2023b-kokkos |
| 2Aug2023_update2 | generic: aarch64, x86_64Arm: neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
NVIDIA: cc70, cc80, cc90 |
2023.06 | LAMMPS/2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1 |
| 2Aug2023_update2 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2023.06 | LAMMPS/2Aug2023_update2-foss-2023a-kokkos |