Deprecated: Use of this version of VASP is deprecated. More information on our Applications Support and Retention Policy.
There is a newer version of VASPThe 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
Due to the licensing conditions, VASP is only available to authorised users. This help page is provided to those users.
For more information visit the VASP website.
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
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