[Pw_forum] R&G space division vs K-point division

Mahmoud Payami Shabestari mpayami at aeoi.org.ir
Wed Feb 29 14:30:57 CET 2012



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Mahmoud Payami
Physics Group, AEOI, Tehran-Iran
E-mail : mpayami at aeoi.org.ir
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-----Original Message-----
From: Paolo Giannozzi <giannozz at democritos.it>
To: mpayami at aeoi.org.ir
Cc: PWSCF Forum <pw_forum at pwscf.org>
Date: Wed, 29 Feb 2012 12:02:19 +0100
Subject: Re: [Pw_forum] R&G space division vs K-point division

> On Wed, 2012-02-29 at 11:42 +0330, Mahmoud Payami wrote:
>  
> 
> > Is it possible to decouple R & G space division from the K-point
> > division such that they can be asigned arbitrary values?
> 
> not sure what you mean. The parallelization over k-points
> and over R- and G- space are "decoupled", i.e. you can
> choose independently how many processors for the latter
> and how many for the former. There are separate restrictions 
> on both, though. Unless of course you have other restrictions 
> on the total number of processors you can run on (e.g.only 
> powers of 2, as in some machines).
> 
> P.
> 
> -- 
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
> 
> 
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