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VASP is an MPI-parallel application. It is recommended to use mpirun as the job starter for VASP at HLRN. The MPI module providing the mpirun command associated with a particular VASP installation needs to be loaded ahead of the VASP module.

Executables

The installation of VASP at HLRN comprises regular executables as well as community driven modifications to VASP as shown in the table below, all available from the vasp environment module(s).

Executable	Description
vasp_std	multiple k-points (formerly vasp_cd)
vasp_gam	Gamma-point only (formerly vasp_gamma_cd)
vasp_ncl	non-collinear calculations, spin-orbit coupling (formerly vasp)
vaspsol_[std|gam|ncl]	set of VASPsolImage Modified-enabled executables
vasptst_[std|gam|ncl]	set of VTSTImage Modified-enabled executables
vasptstsol_[std|gam|ncl]	set of executables combining these modifications

The VTST script collection is not available from the vasp environment module(s). Instead, it is provided by the vtstscripts environment module(s).

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