[Pw_forum] problem while running parallel version of espresso-4.1.1

Lorenzo Paulatto paulatto at sissa.it
Tue Dec 8 13:09:54 CET 2009


Replying to message "[Pw_forum] problem while running parallel version of  
espresso-4.1.1" from Bipul Rakshit (08/12/09):
> I am running this
> calculations on 16 processors, and in 4 hrs it completes only 4 scf

Dear Bipul,
you output file says that you are running on *32* processors, this would  
cause some massive slow-down if you only have 16 of them available.

You could also use more pools, especially if the processors are in  
different PCs that are connected via not-so-fast network.

regards


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Lorenzo Paulatto
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