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VASP

The Vienna Ab initio Simulation Package, VASP, is a program package for ab-initio quantum-mechanical molecular dynamics (MD) simulations and electronic structure calculations, from first principles.

Availability & Restrictions

Due to licensing considerations, OSC does not provide general access to this software. However, we are available to assist with the configuration of individual research-group installations on both the Oakley and the Glenn Cluster. The existing VASP module on Glenn was setup for a specific research group and is not available for general use. See the The VASP FAQ page for information regrading licensing.

The following versions of VASP are available with restrictions as listed above on OSC systems:

Version Glenn Oakley
4.6 X  

Usage

Set-up

For those with access you can configure your environment for the usage of VASP on Glenn by running the following command:

module load vasp

Using VASP

See the VASP documentation page for tutorial materials.

Further Reading

See Also

Supercomputer: 
Service: