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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 VersionUser GroupVASP ModulefileCompute PartitionsMPI RequirementCPU/GPULise/EmmySupported Features
5.4.4 with patch 16052018vasp5_2vasp/5.4.4.p1CentOS 7impi/2019.5(Haken) / (Fehler)(Haken) / (Haken)
6.4.1vasp6vasp/6.4.1CentOS 7impi/2021.7.1(Haken) / (Fehler)(Haken) / (Fehler)OpenMP, HDF5, Wannier90, Libxc
6.4.2vasp6vasp/6.4.2CentOS 7impi/2021.7.1(Haken) / (Fehler)(Haken) / (Fehler)OpenMP, HDF5, Wannier90, LibxcDFTD4 van-der-Waals functional
6.4.3vasp6vasp/6.4.3Rocky Linux 9impi/2021.13(Haken) / (Fehler)(Haken) / (Fehler)OpenMP, HDF5, Wannier90, Libxc, DFTD4 van-der-Waals functional, libbeef
6.4.1vasp6vasp/6.4.1GPU A100nvhpc-hpcx/23.1

(Fehler) / (Haken)

(Haken) / (Fehler)

OpenMP, HDF5, Wannier90

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