VASP 5.4.4-iomkl-2019b-VTST-180-Python-3.7.4-Perl-5.30.0

Deprecated: Use of this version of VASP is deprecated. More information on our Applications Support and Retention Policy.

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 5.4.4-iomkl-2019b-VTST-180-Python-3.7.4-Perl-5.30.0

To load the module for VASP 5.4.4-iomkl-2019b-VTST-180-Python-3.7.4-Perl-5.30.0 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load VASP/5.4.4-iomkl-2019b-VTST-180-Python-3.7.4-Perl-5.30.0

There is a GPU enabled version of this module: VASP 5.4.4-iomklc-2019b-VTST-180-Python-3.7.4-Perl-5.30.0

BEAR Apps Version

2018b

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: iomkl/2019b Perl/5.30.0-GCCcore-8.3.0 Python/3.7.4-GCCcore-8.3.0 SciPy-bundle/2019.10-iomkl-2019b-Python-3.7.4

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 26th January 2021