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.
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