BAGEL¶
BAGEL (Brilliantly Advanced General Electronic-structure Library) is a parallel electronic-structure program.
homepage: http://www.nubakery.org
Available installations¶
| BAGEL version | Supported CPU targets | Supported GPU targets | EESSI version | Module |
|---|---|---|---|---|
| 1.2.2 | generic: aarch64, x86_64Arm: a64fx, neoverse_n1, neoverse_v1, nvidia/graceAMD: zen2, zen3, zen4, zen5Intel: haswell, skylake_avx512, sapphirerapids, icelake, cascadelake |
(none) | 2025.06 | BAGEL/1.2.2-foss-2025b |