[gmx-users] one molecule on more CPU's

[David]

On Fri, 2002-11-15 at 16:53, Anton Feenstra wrote:
> Hi All,
> 
> 
> I'm still trying to get my scaling up for the protein in water system.
> Now I (think I) remember Erik mentioning that it would be possible
> for a single molecule (e.g. a protein) to cross processor boundaries.
> Is this already in one of the distributed versions or is this still
> only CVS (or is it only yet in the planning)?
You can not shake over processor boundaries yet. If you use h-shake only
it will work.

> 
> -- 
> Groetjes,
> 
> Anton
>  ________ ___________________________________________________________
> |        | Anton Feenstra                                            |
> | .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
> | |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
> | |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
> | ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
> |  /  \  |-----------------------------------------------------------|
> | (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
> |  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
> |   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
> |  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
> | (    ) |-----------------------------------------------------------|
> |  \__/  | "You Will Be Surprised At What Resides In Your Inside"    |
> |        | (Arrested Development)                                    |
> |________|__
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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