[gmx-users] parallel computations

[David van der Spoel]

On Tue, 2004-07-13 at 09:28, fabio affinito wrote:
> Hi,
> I'm running a MPI simulation with Gromacs on 4 processors. The problem 
> is that only one of the four logfiles seems to be advancing (and not 
> very fast!), Is this normal?
> 
> This is the situation of my directory this morning at 9.40
> 
> -rw-r--r--    1 affinito G09          2351 Jul 12 14:40 Simulazione3.log
> -rw-r--r--    1 affinito G09          2351 Jul 12 14:40 Simulazione2.log
> -rw-r--r--    1 affinito G09          2351 Jul 12 14:40 Simulazione1.log
> -rw-r--r--    1 affinito G09         45941 Jul 13 08:39 Simulazione0.log
> 
Yes this is normal, however you do have to check whether your
calculation is efficient, i.e. do short test runs on 1,2,4 processors.

> Thanks again.. and bye!
> 
> Fabio
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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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