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VASP is licensed to individual research groups with a maximum of 6 users allowed per license. The version of VASP installed on Sol is licensed to Ganesh Balasubramanian (Mechanical Engg), Chinedu Ekuma (Physics), Lisa Fredin (Chemistry) and Srinivas Rangarajan (Chemical Engg) and can is available to members of their research group. If you need to use VASP, you need to purchase your own license for your research group, . LTS or any College or Department within Lehigh University cannot purchase a VASP license. VASP provides a liberal license that allows the licensee to install and use VASP on any computers including off campus resources such as XSEDE or DOE supercomputers that you have access. The only restriction is the number of users in your research group who can use VASP.

Usage

Required modules

1. intel/202021.3.0.3
2. mvapich2/2.3.4 OR mpich/3.3.2

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Sample input and submission script is available at /share/Apps/examples/vasp

Links

For more information visit https://www.vasp.at/documentation/