BEAR Applications: VASP 5.4.4-iomklc-2019b-VTST-180-Python-3.7.4-Perl-5.30.0 (for BlueBEAR, BEARCloud VMs, and CaStLeS VMs)

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

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-iomklc-2019b-VTST-180-Python-3.7.4-Perl-5.30.0

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

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

There is a CPU version of this module: VASP 5.4.4-iomkl-2019b-VTST-180-Python-3.7.4-Perl-5.30.0

BEAR Apps Version

2020h

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

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.

Version	BEAR Apps Version
6.4.2-nvofbf-2022.07	2022a
6.4.2-intel-2022a	2022a
6.4.2-foss-2022a-Wannier90	2022a
6.4.2-foss-2022a	2022a
6.3.2-nvofbf-2022.07	2022a
6.3.2-intel-2022a	2022a
6.3.2-foss-2022a-Wannier90	2022a
6.3.2-foss-2022a	2022a
5.4.4-iomklc-2020b	2020b
5.4.4-iomklc-2019b	2019b
5.4.4-iomkl-2020b-ISIF8	2020b
5.4.4-iomkl-2020b	2020b
5.4.4-iomkl-2019b-VTST-180-Python-3.7.4-Perl-5.30.0	2019b
5.4.4-iomkl-2019b	2019b
5.4.4-intel-2019b	2019b

Last modified on 26th January 2021