Re: [gmx-users] No scale up beyond 4 processors for 240000 atom system

2007-10-09 Thread Diego Enry
Low cost tip: Ask your cluster administrator if it is possible apply channel bonding to the Gigabit interfaces. You need two network switches for that to be efficient (a cut-through switch may also help). It increases network bandwidth by 70%. It also helps to use Cat6 cables. You may try this MPI

Re: [gmx-users] No scale up beyond 4 processors for 240000 atom system

2007-10-09 Thread Christian Burisch
Berk Hess schrieb: Hi all, So this is 4 cores sharing one ethernet connection? perhaps the two Gigabit NICs were bundled somehow. But I guess this doesn't work out-of-the-box&plug'n'play. And latency and not bandwidth may be limiting in this case. With such a setup you will never get goo

RE: [gmx-users] No scale up beyond 4 processors for 240000 atom system

2007-10-09 Thread Berk Hess
From: "maria goranovic" <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: gmx-users@gromacs.org Subject: [gmx-users] No scale up beyond 4 processors for 24 atom system Date: Tue, 9 Oct 2007 12:09:50 +0200 Hello, I was wondering what the scale up was wi

[gmx-users] No scale up beyond 4 processors for 240000 atom system

2007-10-09 Thread maria goranovic
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: 24 atoms, PME, 1.0 nm real cutoff processors ns/day 1 0.141 2