VASP 6.4.2-foss-2022a

There is a newer version of VASP

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 6.4.2-foss-2022a

To load the module for VASP 6.4.2-foss-2022a please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load bear-apps/2022a
module load VASP/6.4.2-foss-2022a

BEAR Apps Version

2022a

Architectures

EL8-cascadelakeEL8-icelake

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

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: foss/2022a HDF5/1.13.1-gompi-2022a

Other Versions

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

Last modified on 17th October 2023