Error lammps using edip potential

LAMMPS LAMMPS Mailing List Mirror
1 
Dear lammps users,
How can I use resolve this problem please?

input file, data file and error message in attachment.

Regards

Capture du 2019-04-12 22-29-25.png

in_edip_123 (1.73 KB)

si_s_123.data (4.48 KB)

2

You should upgrade to a current version of LAMMPS. Perhaps the problem has been solved already.
Axel

3

The geometry in your data file seems to be in fractional coordinates and thus you have an unphysically high number of neighbors which overflows some internal storage in the edip potential, which assumes only meaningful geometries are used.

Axel.