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

[David van der Spoel]

Hadas Leonov wrote:
> 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. 
Did you try the beta version I put on the ftp site?
> 
> Hadas.
> 
>> Carsten
>>
> 
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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://folding.bmc.uu.se
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