VASP 5.4.4-iomkl-2020b

There is a newer install 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-2020b

To load the module for VASP 5.4.4-iomkl-2020b please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load VASP/5.4.4-iomkl-2020b

BEAR Apps Version

2020b

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

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: iomkl/2020b

Other Versions

These versions of VASP are available on the BEAR systems (BlueBEAR and BEAR Cloud 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-DFT-D4	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-iomkl-2020b-ISIF8	2020b
5.4.4-iomkl-2019b-VTST-180-Python-3.7.4-Perl-5.30.0	2019b
5.4.4-iomkl-2019b	2019b

Last modified on 28th May 2021