[gmx-users] paralel scaleing
spoel at xray.bmc.uu.se
Thu Aug 7 21:16:02 CEST 2003
On Thu, 2003-08-07 at 18:20, Yuguang Mu wrote:
> > PME scaling is poor, but it depends on your system size too.
> > Most of the work is in the LJ(S) solvent loops though, so don't worry
> > about the other term.
> > --
> I agree with you, but why the LJ(S) parts only calculated in one cpu,
> so the scaling for 4 cpu is 25% , and for 2 cpu is 50% ?
First LJ is your protein, or whatever, and the total count is very low
as well, negligable compared to solvent.
> are supported and installed on your system.
>perl: warning: Falling back to the standard locale ("C").
The Perl message has to with internationalization on your machine and
nothing with gromacs.
Domain decomposition is not implemented yet.
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Dr. David van der Spoel, Dept. of Cell and Molecular Biology
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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