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Only members of the groups vasp5_2 or vasp6 have access to VASP executables. To have their user ID included in these groups, users can ask their consultant or submit a support request. It is recommended that users make sure that they already got registered in Vienna beforehand, as this will be verified. Users whose research group did not upgrade its VASP license to version 6.x cannot become member of the vasp6 group.
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VASP is an MPI-parallel application. We recommend to use mpirun as the job starter for VASP. The environment module providing the mpirun command associated with a particular VASP installation needs to be loaded ahead of the environment module for VASP.
| VASP Version | User Group | VASP Modulefile | Compute Partitions | MPI Requirement | CPU/GPU | Lise/Emmy | Supported Features |
|---|---|---|---|---|---|---|---|
vasp/5.4.4.p1 | impi/2019.5 |  /  | / | ||||
vasp/6.4.1 | impi/2021.7.1 | / | / | ||||
vasp/6.4.2 | impi/2021.7.1 | / | / | ||||
| 6.4.3 | vasp6 | vasp/6.4.3 | Rocky Linux 9 | impi/2021.13 | / | / | OpenMP, HDF5, Wannier90, Libxc, DFTD4 van-der-Waals functional, libbeef |
| 6.4.1 | vasp6 | vasp/6.4.1 | GPU A100 | nvhpc-hpcx/23.1 |
|
| OpenMP, HDF5, Wannier90 |
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