From: "maria goranovic" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: gmx-users@gromacs.org
Subject: [gmx-users] No scale up beyond 4 processors for 240000 atom system
Date: Tue, 9 Oct 2007 12:09:50 +0200
Hello,
I was wondering what the scale up was with GROMACS 3.3.1 on 8 or 16
processors. Here are my benchmarks:
Hardware: Dell PowerEdge 2950, 2x 2,66Ghz Intel Woodcrest CPUs, 8 GB Ram,
2x
Gigabit Ethernet
GROMACS 3.3.1: 240000 atoms, PME, 1.0 nm real cutoff
processors ns/day
1 0.141
2 0.253
4 0.409
8 0.232
16 0.107
Do I need to recompile with some other options ? Or is this the best I can
get ? Will another type of network improve performance ? It seems
communication is the rate limiting step for 8 or 16 cores ?
Thank you for the help,
-Maria
So this is 4 cores sharing one ethernet connection?
With such a setup you will never get good scaling.
You need something like an Infiniband network.
Gromacs 4.0 will give a big improvement, but I don't know how much.
Berk.
_________________________________________________________________
Play online games with your friends with Messenger
http://www.join.msn.com/messenger/overview
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
