Siesta¶
SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
homepage: https://siesta-project.org/siesta/About/overview.html
Available installations¶
| Siesta version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 5.2.2 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2023.06 | Siesta/5.2.2-foss-2023a |