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 6.3.2-foss-2022a-Wannier90
To load the module for VASP 6.3.2-foss-2022a-Wannier90 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load bear-apps/2022a
module load VASP/6.3.2-foss-2022a-Wannier90
BEAR Apps Version
EL8-cascadelake — EL8-haswell — EL8-icelake
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: foss/2022a HDF5/1.13.1-gompi-2022a Wannier90/3.1.0-foss-2022a-serial
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 23rd February 2023