We have a number of versions of VASP 5.4.4, 188.8.131.52 and 5.4.1. with and without the CNMS patches (includes vtst). To use them load the appropriate module. If you want to make your own build message @epd on the Cades slack for access to our VASP code repository.
5.4.4 (with CNMS patches)
bash$ module load env/cades-cnms bash$ module load vasp/5.4.4
5.4.4 (with stock code)
bash$ module load env/cades-cnms bash$ module load vasp_vanilla/5.4.4
bash$ module load env/cades-cnms bash$ module load vasp/5.4.1
Example Job Script
Multiple mpiruns within a Job
It does not work like with srun or aprun on the "real" Cray's at NERSC or OLCF
one instance of mpirun within a pbs job does not know what the other mpirun is doing so they need to be given different segments of the allocation to deal with otherwise they will attempt to run on top of each other. The allocation is available in a file format from $PBS_NODEFILE within a job. There is one line per slot per node.
The : syntax for Multiple Job Multiple Data isn't worth the trouble (perhaps MPI_WORLD clashes?)