In message from Bernd Schubert <[EMAIL PROTECTED]> (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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