[gmx-users] parallel minimization broken?

David van der Spoel spoel at xray.bmc.uu.se
Wed Nov 6 21:51:36 CET 2002

On Thu, 2002-11-07 at 10:44, Wei Fu wrote:

 From recent posts it seems that parallel EM is broken at least with PME.
The remedy is simple, use single processor EM. I will try to look into
it, but it is not very high priority since one usually does not do long
energy minimizations. 

Parallel MD on the other hand should work flawlessly.

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://xray.bmc.uu.se/~spoel

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