Re: [ESPResSo] a question about domain decomposition

[Axel Arnold]

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".

Axel

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