[gmx-users] Slow opterons : low Mega Flops

Gia Maisuradze 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.
Thanks again.

Gia
----- 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


> Hi,
>
> 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 
> Gromacs.
>
> Cheers,
>
> Erik
>
>
> On Sep 12, 2005, at 9:53 PM, Gia Maisuradze wrote:
>
>> Hi,
>> 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?
>>
>> Thanks,
>>
>> Gia Maisuradze
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