parallel VASP hangs with PAW pp

Problems running VASP: crashes, internal errors, "wrong" results.


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sridevi
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parallel VASP hangs with PAW pp

#1 Post by sridevi » Tue Aug 18, 2009 8:39 pm

Hello

The serial version of vasp4.6.28 works fine on Altrix machine with Intel IA 64 processors.

Also the parallel version runs fine when using US-PP.

But when using PAW pp, VASP writes the following lines to OUTCAR and just hangs:
______________
vasp.4.6.28 25Jul05 complex
executed on Altrix date 2009.08.18 11:57:40
running on 2 nodes
distr: one band on 1 nodes, 2 groups


--------------------------------------------------------------------------------------------------------


INCAR:
POTCAR: PAW_PBE C 08Apr2002
____________________

Probably, the parallel VASP is not able to read the PAW pps

Any help is really appreciated.
Last edited by sridevi on Tue Aug 18, 2009 8:39 pm, edited 1 time in total.

admin
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parallel VASP hangs with PAW pp

#2 Post by admin » Mon Oct 12, 2009 11:36 am

of course you can use PAW-pps for parallel executables of vasp, the reason for the hangup cannot be the PP you choose.
please check the error messages in the job stdout and stderror files, maybe the parallel environment is not set up correctly on your machines.
Last edited by admin on Mon Oct 12, 2009 11:36 am, edited 1 time in total.

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