[gmx-users] (no subject)

[David van der Spoel]

Naser, Md Abu wrote:
> Hi David,
>  
> Gromacs verson 3.3 and system containing 10000 atoms.
And the interconnect?

Anyway, this system is too small to scale well on anything but high end 
SMP machines. We've been running stuff like this on a four way SMP with 
75% scaling.

>  
> Abu Naser
> 
> School Of Life Sciences
> Heriot-Watt University
> Edinburgh EH14 4AS
> Email: mn2 at hw.ac.uk <mailto:mn2 at hw.ac.uk>
> Phone: +44(0)1314518265
> Fax : +44(0) 131 451 3009
> 
>  
> 
> 
> ------------------------------------------------------------------------
> *From:* David van der Spoel
> *Sent:* Thu 22/12/2005 10:30 AM
> *To:* Discussion list for GROMACS users
> *Subject:* Re: [gmx-users] (no subject)
> 
> Naser, Md Abu wrote:
>> Hi All,
>>  
>> I have been using 9 workstaion to do a parallel run using PME. It scaled 
>> ok but the CPU useage is only about 15%. Is there anyway I can increase 
>> the CPU useage?
> 
> details please, which gromacs version, how large system.
>>  
>> Abu Naser
>> 
>> School Of Life Sciences
>> Heriot-Watt University
>> Edinburgh EH14 4AS
>> Email: mn2 at hw.ac.uk <mailto:mn2 at hw.ac.uk>
>> Phone: +44(0)1314518265
>> Fax : +44(0) 131 451 3009
>> 
>>  
>> 
>> 
>> ------------------------------------------------------------------------
>> 
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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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-- 
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++