data.data (1.2 MB)
input.in (2.2 KB)
log.lammps (4.3 KB)
Goodday i have these uploaded files for simulation on LAMMPS nad these are the warnings recived, anyone know how to rectify these errors/warnings?
Warning: Inconsistent image flags
WARNING: Bond/angle/dihedral extent > half of periodic box length
Most likely, the geometry and bond topology in your data file is bogus.
The extremely high energy values in your log file confirm that.
There is not much you can do but to redo the data file correctly.
input.in (2.2 KB)
data.data (683.8 KB)
i re did the data file and the error i am getting is ERROR on proc 0: Shake atoms 3264 3265 3266 missing on proc 0 at step 100
You still have a bogus geometry. There are items far outside the box that will wrap back and overlap with other atoms. Just look at the energies.