VASP 6.3.2-nvofbf-2022.07

The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.

Accessing VASP 6.3.2-nvofbf-2022.07

To load the module for VASP 6.3.2-nvofbf-2022.07 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load bear-apps/2022a
module load VASP/6.3.2-nvofbf-2022.07

BEAR Apps Version

2022a

Architectures

EL8-haswellEL8-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.

VASP Licensing

Due to the licensing conditions, VASP is only available to authorised users. This help page is provided to those users.

More Information

For more information visit the VASP website.

Dependencies

This version of VASP has a direct dependency on: nvofbf/2022.07

Other Versions

These versions of VASP 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 27th February 2023