VASP Usage Instructions¶
The Vienna Ab-initio Simulation Package (VASP) is available for users with valid licences. At our HPC centre, we support two groups for users with VASP licences:
- vasp5: For users with a VASP 5 licence.
- vasp6: For users with a VASP 6 licence.
Requesting Access¶
If you have a valid VASP licence (either version 5 or 6), please contact the HPC support team via email or other chanels, stating your licence version. You will be added to the appropriate Unix group (vasp5
or vasp6
) based on your licence.
Loading VASP¶
Once you have been added to the appropriate group, you can load the desired VASP version using the following command:
module load vasp/<version>
Available Versions¶
The following VASP versions are currently available for use on our system:
- 5.4.1-CPU
- 6.3.0-CPU
- 6.3.0-GPU
For example, to load VASP 6.3.0 for CPU, use:
module load vasp/6.3.0-CPU
If you encounter any issues or need further assistance, please reach out to the HPC support team.
Created by: