[gmx-users] Benchmarks, two questions

[David]

On Wed, 2004-05-19 at 17:24, Pim Schravendijk wrote:
> Dear List,
> 
> I still have two questions concerning the opteron benchmarks.
> 
> - How come the 32 bit gromacs binaries score relatively so well on the 64 
> bit machines. Is there some special way in which the processor treats the 
> 32 bit operations?
> 
> - Does David or anybody else have the compiler options to get the highest 
> performance out of a gromacs install on the opteron. The 386 rpm did ok 
> but I use some additions to the mdrun code so I really want to be able to 
> make that install as good as possible.
It could have been the Intel compiler. That does help for
neighboursearching etc. 
> 
> Greetings, Pim
> 
> --
> Pim Schravendijk - PhD Student
> Max Planck Institute for Polymer Research
> http://www.mpip-mainz.mpg.de/~schraven/
> 
> On Tue, 18 May 2004, Pim Schravendijk wrote:
> 
> > And here are my results, I added the ones of David from November 2003
> > 
> > System	Mac(1)	Xeon(2)	Optn(3)	Optn(4)
> > -------------------------------------------
> > Villin	11220	9267	8807	9340
> > lzm		3048	2878	1801	2541
> > lzmpme	1438	1529	1281	1600
> > dppc		143 	151	173	185
> > polymer 	3306	3945	3787	4192
> > 
> > (1) With espresso running on other node during most runs.
> > (2) Using the intel compiler.
> > (3) With two runs at one 2-cpu node for most runs; using the 386 rpm 
> > binary.
> > (4) Run with probably better compilation by David v.d. Spoel (gromacs 
> > developer).
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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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