parallel version

Queries about input and output files, running specific calculations, etc.


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rpnabar

parallel version

#1 Post by rpnabar » Mon Jun 26, 2006 2:02 pm

Hi,
I tried running the mpivasp, gmpivasp but they still seem to be running in serial mode(from the output prouced in OUTCAR)

Is there any other flag in the INCAR that I need to set to get them running in parallel mode?

Thanks!

-Rahul
Last edited by rpnabar on Mon Jun 26, 2006 2:02 pm, edited 1 time in total.

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parallel version

#2 Post by admin » Wed Jun 28, 2006 9:53 am

to run vasp parallel,
1) the parallel executable has to be generated (compile using lam or mpich)
2) you have to enable execution on parallel nodes via the job-script
Last edited by admin on Wed Jun 28, 2006 9:53 am, edited 1 time in total.

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