With vasp5.2.11 we are obliged to run with NPAR = nb of core for parallel runs to get response theory working but also for vibrations even with IBRION=5 that is surprising for a finite displacement algorithm. Using NPAR=nb of core /8 is nearly twice faster for geometry optimization but crashes for the other calculations (vibration polarization...). Is there a way to solve this problem at least for the ibrion=5 calculations .... to optimize our parallelization ?
Thanks for the help
JS
NPAR optimization
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jsfilhol
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NPAR optimization
Last edited by jsfilhol on Tue Feb 08, 2011 2:59 pm, edited 1 time in total.
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support_vasp
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Re: NPAR optimization
Hi,
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