libxc 5.1.6-GCC-11.2.0

There is a newer version of 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.

Accessing libxc 5.1.6-GCC-11.2.0

To load the module for libxc 5.1.6-GCC-11.2.0 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load bear-apps/2021b
module load libxc/5.1.6-GCC-11.2.0

BEAR Apps Version

2021b

Architectures

EL8-cascadelake — EL8-haswell — EL8-icelake

The listed architectures consist of two part: OS-CPU.

  • BlueBEAR: The OS used on BlueBEAR is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
  • BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.

More Information

For more information visit the libxc website.

Dependencies

This version of libxc has a direct dependency on: GCC/11.2.0

Required By

This version of libxc is a direct dependent of: CP2K/2023.1-foss-2021b-CUDA-11.4.1 CP2K/2023.1-foss-2021b QuantumESPRESSO/7.0-foss-2021b

Other Versions

These versions of libxc are available on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 20th June 2022