libxc
Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals.
Available modules
The overview below shows which libxc installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using libxc, load one of these modules using a module load command like:
1 | |
(This data was automatically generated on Thu, 15 May 2025 at 12:00:14 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 | |
| libxc/6.2.2-intel-compilers-2023.1.0 | - | x | - | - | - | - | - |
| libxc/6.2.2-NVHPC-23.7-CUDA-12.1.1 | - | - | - | x | - | - | - |
| libxc/6.2.2-GCC-13.2.0 | - | x | - | - | - | - | - |
| libxc/6.2.2-GCC-12.3.0 | - | x | - | - | - | x | - |
| libxc/6.1.0-GCC-12.2.0 | - | x | - | - | - | x | - |