The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling. Since VASP is a licensed code, access to the program is restricted to groups that have valid licenses. Before VASP can be used on Joule, a user must first email SBEUC-SUPPORT@NETL.DOE.GOV to request program access. The user will be asked about group and licensing details.
Once VASP access has been granted, jobs can be submitted through the queuing system. A sample submission script can be found here:
Copy the submission script to your home directory, edit it, and submit it with this command: