[gmx-developers] Domain decomposition and consistency of state and state_global

Vedran Miletić vedran at miletic.net
Thu Mar 22 18:10:31 CET 2018

On 03/21/2018 10:55 PM, Berk Hess wrote:
> Hi,
> I don't understand what you mean with global coordinates. The global
> coordinates are only available on the master rank and then only on steps
> where they have been collected. You should only be checking the local
> coordinates.
> Cheers,
> Berk

I see. Checking local coordinates is what I am aiming to do, but
sometimes not all of them are available so I'll have to broadcast the
missing ones.

Is dd_collect_state() enough to collect state? Alternatively, is there a
predictable frequency when collection of the coordinates happens (every
n steps or every t seconds)?



Vedran Miletić

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