[gmx-users] PME scaling

David van der Spoel spoel at xray.bmc.uu.se
Tue Jan 10 22:53:52 CET 2006


Erik Lindahl wrote:
> Hi,
> 
> On Jan 10, 2006, at 7:41 PM, David van der Spoel wrote:
> 
>>
>> In addition to Erik's answer: can you be more specific? We've seen  
>> quite decent scaling on up to 16 processors, but depending strongly  
>> on the size of the system and the interconnect.
> 
> 
> David, if you're thinking of Carsten's PME modifications I believe we  
> only added those in the head branch and not 3.3.

That's correct, but Jacob changes are in 3.3

> 
> Cheers,
> 
> Erik
> 
> 
> -----------------------------------------------------------
> Erik Lindahl  <lindahl at sbc.su.se>     Backup address:  
> <erik.lindahl at gmail.com>
> Assistant Professor, Computational Structural Biology
> Stockholm Bioinformatics Center, Stockholm University, SE 106 91  Stockholm
> Phone: +46 8 5537 8564     Fax: +46 8 5537 8214
> 
> 
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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