[gmx-users] G5 performance tweaks

David spoel at xray.bmc.uu.se
Sun May 30 13:09:10 CEST 2004

On Wed, 2004-05-26 at 00:42, Pascal Mercier wrote:
> On a 2GHz G5 after trying different compilation flags I managed to
> gota score of 11220 for the Villin test (with 1 CPU), using the
> buildscripts below for FFTW and Gromacs (and 11518 using xlf_r,
> xlc_r,xlc++_r).  This only represents a 9% increase in speed compared
> to the1.6 GHz G5 as reported on the benchmark results web page,
> whereas a25% increase in speed would be expected with a theoretical
> speedincrease proportional to the clock speed.  Which flags are
> recommendedfor a xlf/xlc build of Gromacs on OSX?
> Has anyone tried to port Gromacs to Xgrid using the MacMPI
> relatedfortran and C files available
> athttp://exodus.physics.ucla.edu/appleseed/dev/developer.html?  
> Thanks in advance for any tips.
Try without fortran, unless you are sure that the Altivec routines are 
used. Then you could look for other optimization flags.

I will add my Opteron results as well.
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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