[gmx-users] parallel minimization broken?

[Anton Feenstra]

David van der Spoel wrote:
> 
> 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.

If you *do* need the performance on EM but you're not so much concerned
about how far you minimize, try running MD at 0 Kelvin.


-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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