[gmx-developers] move_x and move_f
nmoore at physics.umn.edu
Fri Jun 24 14:06:28 CEST 2005
> Normally the forces are distributed over half the ring (as described in
> the manual) but in some cases we need to send them to slightly more than
> halt the processors. Thus, we send first to nsb->shift CPUs clockwise and
> then to nsb->bshift CPUs counter clockwise. Usually nsb->bshift = 0 as you
> can see in the md.log file.
> If you want you can replace these two call's by another MPI call which
> distributes over all processors. As berk said, he has tested this before
> (don't know which platform) and it was slower.
Thanks David, I'll let you know what I find when MPI_Allgatherv is
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