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List:       beowulf
Subject:    Re: [Beowulf] Strange Opteron 2350 performance: Gaussian-03
From:       "Mikhail Kuzminsky" <kus () free ! net>
Date:       2008-06-30 21:23:19
Message-ID: web-2270003 () free ! net
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In message from Bernd Schubert <bernd-schubert@gmx.de> (Sat, 28 Jun 
2008 19:04:50 +0200):
> On Saturday 28 June 2008, Li, Bo wrote:
> > Hello,
> > Sorry, I don't have the same applications as you.
> > Did you compile them with gcc? If gcc, then -o3 can do some 
> > optimization.
> > -march=k8 is enough I think.
> 
> As Mikhail wrote in his first mail, he uses binaries from Gaussian 
> Inc. Can 
> gfortran in the mean time compile gaussian? Even if it can, it might 
> be a 
> problem for publications, since the only officially supported 
> compiler is 
> pgf77.
> Mikhail, do you have the source at all? Due to the different cache 
> model of 
> the barcelona a recompilation might really help.

No, I have no source :-( I absolutely agree w/you - DFT used is 
cache-friendly. Moreover, this big performance gap corresponds to DFT 
w/FMM (Fast Multipole Method). For "usual" DFT, Opteron 2350 cores are 
also more "slow" than Opteron 246, bun "only" on 33%.   

> 
> > And you make sure the CPU running at the default frequency. Sometime
> 
> Yeah, can you check the scaling governor isn't set to ondemand or 
> conservative?

Yes, I looked to frequency many times (as a crazy :-)). There is no 
powersaved daemon, and I looked only 2 Ghz in /proc/cpuinfo :-) 

Yours
Mikhail

> 
> 
> Cheers,
> Bernd
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