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

[Vedran Miletić]

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)?

Thanks,

Vedran

-- 
Vedran Miletić
vedran.miletic.net