Attention

WARNING: From 8am on 30th June until 5pm on 4th July 2025, there will be no access to the Stanage HPC cluster.

We will try to minimise this downtime and it is possible that Stanage will return to service before 4th July. We will notify you by email when Stanage is back online and available for job submission.

VASP

VASP

Latest Version (Icelake):

6.4.2

Installed on (Icelake):

2024-03-06

Latest Version (Znver3):

N/A

Installed on (Znver3):

N/A

URL:

http://www.vasp.at

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.

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:

srun --pty bash -i

A version of VASP can then be made available with one of the following:

Icelake

module load VASP/6.4.2-intel-2022b
module load VASP/5.4.4-intel-2022b
module load VASP/5.4.4-intel-2022b-vaspsol-vtst
module load VASP/5.4.4-intel-2022b-vtst
module load VASP/5.4.4-intel-2020b

Notes

VASP was installed using Easybuild, build details can be found in $EBROOTVASP/easybuild with a given module loaded.

Direct dependencies for latest version of VASP

• intel/2022b