[gmx-users] Gromacs slow and crashes on Leopard.

Hadas Leonov hleonov at cc.huji.ac.il
Wed Nov 28 14:08:53 CET 2007


On Wed, 2007-11-28 at 09:20 +0100, Carsten Kutzner wrote: 
> Hadas Leonov wrote:
> > After installing with openmpi - I ran some benchmarks for 4 processors
> > on Mac-Pro:
> > d.villin:       
> > Leopard performance: 	13714 ps/day
> > old OS performance:    41143 ps/day.
> > gmx-benchmark :          48000 ps/day.
> > 
> > d.poly-ch2
> > Leopard performance:  8640 ps/day
> > old OS performance:    18000 ps/day
> > gmx-benchmark:            20571 ps/day
> > 
> > old OS refers to OSX 10.4.9.
> > The slow speed also happens when running only on one CPU. d.villin took
> > 6 times slower than usual. So it can't just be open-mpi fault, can it?
> > 
> > Can it be due to compiling gromacs while disabling ia32 optimization?
> Hi Hadas,
> 
> probably you are running the C inner loops now. You will want to not
> only disable the Itanium inner loops, but at the same time enable the
> x86 inner loops.
> 

Thanks Carsten, 
I tried recompliing with "--enable-x86-64-sse", but it's still slow as
before. 

Hadas.

> Carsten
> 




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