[gmx-users] Slow opterons : low Mega Flops
gia at chem.unr.edu
Mon Sep 12 23:54:03 CEST 2005
Thanks Erik, actually it turns out I was using gcc not ifc, now gromacs is
running with the expected amount of speed.
----- Original Message -----
From: "Erik Lindahl" <lindahl at sbc.su.se>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Monday, September 12, 2005 1:32 PM
Subject: Re: [gmx-users] Slow opterons : low Mega Flops
> We need details, details, details :-)
> 1. Skip MPI when it comes to basic performance testing.
> 2. Compile FFTW 2.1.5 and Gromacs (preferrably the new release candidate
> at ftp://ftp.gromacs.org/pub/beta/ ) with default options.
> 3. Download the standard benchmarks from www.gromacs.org
> 4. If you get results that seem to differ significantly from the ones
> quoted on the benchmark page, report with your CPU type and frequency
> here, and the exact results you get.
> Remember to say whether you are running the operating system in 32 or 64
> bit mode, and check the logfile whether it is using assembly loops.
> Check that you are not running other heavy jobs in the node when
> testing - Gromacs defaults to nice 19 (only use idle cycles), which
> means it's going to yield to almost everything else. At the end of the
> run you'll get a report both of the actual time, and the time used by
> On Sep 12, 2005, at 9:53 PM, Gia Maisuradze wrote:
>> I'm getting really slow performance on my opteron system, performance
>> that is roughly half that of my old athlon mp system. I've tried
>> recompiling the program with various options, mpi, no mpi, threading, no
>> threading, cpu optimized, not optimized, etc. Does anyone work with
>> opterons under suse 9.3 and have an idea about what the best options for
>> compiling lam, fftw, and gromacs should be?
>> Gia Maisuradze
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