On 16/04/2012 8:43 PM, Gavin Melaugh wrote:
Hi all

What does the following note mean in the log file

DD  load balancing is limited by minimum cell size in dimension Z
Is is purely a performance related issue ?

Yes. See 3.17.2 for description of DLB. Various algorithms constrain minimum cell sizes. Perhaps due to inhomogeneous particle distribution, ideal load balance would require violation of the minimum size. So GROMACS does the correct thing - compromises load balance (and thus performance) and lets you know there's an issue.

Mark
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