ABINIT
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure ofsystems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), usingpseudopotentials and a planewave or wavelet basis.
Available modules
The overview below shows which ABINIT installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using ABINIT, load one of these modules using a module load command like:
1 | |
(This data was automatically generated on Thu, 22 May 2025 at 12:00:16 EDT)
| neoverse_v1 | generic | zen2 | zen3 | zen4 | haswell | skylake_avx512 | |
|---|---|---|---|---|---|---|---|
| Grace Nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | intel16 | intel18,amd20-v100,amd21,intel21 | |
| ABINIT/9.8.4-foss-2023a | - | x | - | - | - | - | - |