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Note
Please, pay particular attention to NPAR (or NCORE) parameter. This parameter determines how well vasp will run in parallel. The recommended value should be somewhere between SQRT( ncpus ) ... ncpus/2, closer to SQRT( ncpus ). For example, for ncpus=64, the npar=8 or 16 is good.

Note

If your job is failed with an error like

Code Block
... rcache.c:896 UCX ERROR failed to insert region 0x37bdc320 [0x1517ace43180..0x151769af8ac0]: Invalid parameter ...

please modify your job script like the following way to fix the issue:

Code Block
... mpirun -mca coll_hcoll_enable 0 vasp_std >vasp.log

Details of specific versions:

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