Re: [ESPResSo] background_errors 0 - 078 bond broken between particles ?

[Tristan Bereau]

Dear Marek,

You probably need to increase the skin distance in the simulation. See the 
command 'setmd skin' in the user guide and the description of the skin distance 
in the original Espresso paper:
Limbach et al., Computer Physics Communications, 174 (2006); see page 715 in 
particular.

The skin distance is the difference between cell size (cells are subdivision of 
the simulation box that are assigned to each CPU) and maximal interaction 
range. If the skin is too small then bonded particles might not be able to 
communicate, and so the bond is broken.

Best,
Tristan

On Mar 28, 2010, at 21:51 , Marek Maly wrote:

> Dear Espresso users/developers,
> 
> During my simulations I sometime experienced following error:
> 
> "background_errors 0 {078 bond broken between particles 738 and 736 
> (particles not stored on the same node)}"
> 
> I found out that this problem appear only if I am using parallel version of 
> Espresso and
> it is dependent on the number of my bonded molecules in the simulation box.
> 
> If I use serial version everything is OK.
> 
> Is there any possibility (adjusting of some parameter etc.) to prevent these 
> errors
> also in case of parallel version ?
> 
> Thank you in advance for any useful information !
> 
> Best wishes,
> 
>   Marek
> 
> 
> 
> 
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