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:
module load libxc/6.2.2-intel-compilers-2023.1.0
(This data was automatically generated on Thu, 22 Jan 2026 at 12:03:27 EST)
| gateway | generic | zen2 | zen3 | zen4 | skylake_avx512 | |
|---|---|---|---|---|---|---|
| Gateway nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | 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 | - | - | - | - |
| libxc/6.1.0-GCC-12.2.0 | - | x | - | - | - | - |