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Re: [ESPResSo] a question about domain decomposition

From: Axel Arnold
Subject: Re: [ESPResSo] a question about domain decomposition
Date: Fri, 9 May 2008 16:52:44 +0200
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Am Freitag 09 Mai 2008 15:57 schrieb Ana Vila Verde:
> Dear Espresso users/developers,
> Could someone clarify what happens during an Espresso simulation when
> the *cellsystem* option is not specified in the simulation input file?
> The reason I am confused is that the Espresso manual says "The domain
> decomposition cellsystem is the default system...".  Does this mean that
> this option is active even if  my input file does NOT include
> "cellsystem domain_decomposition"?  Or does this sentence mean that this
> is normally the most appropriate option, so for most simulations I
> should explicitly include it in the simulation input file?
> If I don't specify any cellsystem in my simulation input file, is
> Espresso simply calculating all non-bonded interactions (the number of
> which goes as n²), or is it using domain decomposition?

If you do not specify anything, Espresso uses domain decomposition - I think 
that is what typically is meant by "default".


Dr. Axel Arnold 
Fraunhofer Institute for Algorithms and Scientific Computing (SCAI)
Schloss Birlinghoven
53754 Sankt Augustin

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