warning: inconsistent image flags using fix bond/create

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1

Hi all,

I am using lammps-28Jun14. I got warning: inconsistent image flag when using fix bond/create. The warning doesn’t show up immediately but later when a significant number of bonds are created. I updated the neighbour list at the same timestep the bonds are created. Can anybody help me with it? Thanks!

Yie

2

Your first message was successfully posted - there is no need to post the same message multiple times.

Thanks,
Ray

3

have a look at the description on the ‘errors’ page. the unwrapped coordinates of two bond atoms are far apart, e.g., a new bond across a periodic boundary

Tim

4

Thanks for the reply! Yeah, I agree that new bonds are created across the boundary. I assume this shouldn’t be a problem since the newly bonded atom interaction should still be computed using the closest image.
However, error messages come out saying either bond or angle extent > half of periodic box length when applying a shear deformation. The bonding distance criteria in fix bond/create is definitely set much smaller than half of the periodic box.

Yao

5

i don’t quite understand your setup with fix bond create and shear deformations, but i’d suggest simplifying your system and tracking down one of the offending bonds and its coordinates. then if you think this is a technical problem and not a physics problem, post a simple example to the mail list. otherwise there isn’t enough information to understand what is happening

tim