[gmx-users] parallel computations
gmx3 at hotmail.com
Tue Jul 13 15:05:15 CEST 2004
>From: fabio affinito <fabio.affinito at tiscali.it>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] parallel computations
>Date: Tue, 13 Jul 2004 11:49:09 +0200
>I tried shorter runs, and I found out that parallel computations seems to
>be slower than serial...
> (Mnbf/s) (MFlops) (ps/NODE hour) (NODE hour/ns)
>Performance: 8.449 670.583 5.217 191.678
>Performance: 8.406 667.170 5.191 192.658
>Performance: 1.882 154.785 1.162 860.278
>Looking inside one of the logfiles of the last simulation I found:
>Total NODE time on node 1: 1268.41
>Average NODE time: 271.69
>Load imbalance reduced performance to 200% of max
>What does it means?
I guess you just have one molecule in your system?
The current gromacs version can not split a molecule
with constraints over different processors.
So all work is done on node 0 and using more nodes
only makes it slower.
Play online games with your friends with MSN Messenger
More information about the gromacs.org_gmx-users