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
The listed architectures consist of two part: OS-CPU.
- BlueBEAR: The OS used on BlueBEAR 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.
- BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.
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