libxc 6.1.0-GCC-12.2.0Libxc 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 6.1.0-GCC-12.2.0
To load the module for libxc 6.1.0-GCC-12.2.0 please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):
module load bear-apps/2022b
module load libxc/6.1.0-GCC-12.2.0
BEAR Apps Version
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 Cloud and CaStLeS 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.
For more information visit the libxc website.
This version of libxc has a direct dependency on: GCC/12.2.0
This version of libxc is a direct dependent of: QuantumESPRESSO/7.2-foss-2022b
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Last modified on 1st September 2023