[gmx-users] RE: Gromacs benchmark --poor performance on XEONmachine
shejithp at hclinsys.com
Tue Oct 21 05:26:02 CEST 2003
I had installed gromacs on a dual XEON( 2.4GHz ) machine +RedHat 9.0 and I was using np=4( I had enabled hyperthreading). But I was getting Gfloaps 1.5 and Mnb/f when I was running D.DPPC -benchmark. This is very low value when we are comparing with the results posted in web site..
I had installed fftw -foating point and enabled mpi and I am using LAM/MPI 7.0 .
I am not able to find out where I am making mistake. Can anyone tell me any hints.
From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]On
Behalf Of David van der Spoel
Sent: Monday, October 20, 2003 5:09 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] RE: Gromacs benchmark --poor performance on
On Mon, 2003-10-20 at 13:28, Shejith P.P wrote:
> Can anyone give me the detailed installtion procedure for gromacs for parallel environment.
it's the same as te normal installation (see website)
> -----Original Message-----
> From: Shejith P.P [mailto:shejithp at hclinsys.com]
> Sent: Monday, October 20, 2003 11:01 AM
> To: 'gmx-users at gromacs.org'
> Subject: Gromacs benchmark --poor performance on XEON machine
> I am running gromacs on P4 Xeon machine 2.4GHz. ( 1GB memeory ) - I am using a dual CPU machine.
> I have installed fftw(2.1.3) and gromacs (3.1.4 ) on my machine and I am running benchmarking using D.DPPC
> I have enabled hyperthreading and I was running 4 LAM on my machine.
> And I hav erun gromacs for 4 CPUS and executed the mdrun command for 4 nodes.
> But I am getting a very low value compared to the one I have seen in gromacs site. I got Mnbf/s of 45 where in website It was 286 for dula xeon 2.2GHz.
> I am afraid whether I am making any mistakes in installton itself....can enyone send me the detailed installtion procedure for gromacs for parallel environment.
David van der Spoel, PhD, Assist. 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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