Bond atoms missing on image check with special bonds setting 0 0 0

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1

Hello lammps users,

I am using the latest version of lammps. I have a bonded system and I am using the special bonds command like this

special_bonds lj/coul 0 0 0 and the pair wise cut off is 10 A.

I have long bonds in my system which I am trying to relax but I get this error

“Bond atom missing on image check”

As such, this error should not appear because the pairwise iteractions are turned off (for all bonded systems) by the special bonds command and they are not included in the neighbour list build.

Although I have got around this error, I am not sure why this error pops up when the pair wise interactions for the bonded system are turned off.

Thanks
Arun

2

I am not sure why this error pops up when the pair wise interactions for the bonded system are turned off.

This has nothing to do with pairwise interactios being on/off. It means that a processor

that owns one atom in the bond cannot find the other atom in the bond. So that
the bond itself cannot be computed. This is typically b/c the ghost atom cutoff

(generally set by the pair style) is too short. If your cutoff is 10A and you have bonds
longer than that, you need to use comm_modify cutoff to extend the distance at
which you acquire ghost atoms.

Steve

3

Thanks Dr. Steve.

Arun