[gmx-users] parallel run crashes only when shuffled

[David van der Spoel]

On Thu, 2002-10-03 at 09:43, Mikko Huhtala wrote:
> Lynne E. Bilston writes:
>  > David - Can you elucidate your "shuffle manually" comment? Do you mean 
>  > re-order the input coordinate file as you suggest?
> 
> I have no idea what David meant, either. The distribution of my system
> to the processors seems reasonable, though, just using plain grompp.

I forgot to add, yes shuffle coordinates manually and topology manually.
For only two proteins it should be fine to do so...
> 
> Mikko
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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