Increasing volume of orthogonal box

Hey all,

I made two similar runs the only change made was in the \espilon value of the LJ parameter for wall-fluid interaction. It was changed from 0.6 in the first run to 0.1 in the second run. While for the first run when the wall starts shearing the volume stays constant, for the second run it starts increasing. I am not sure what is causing this. I am assuming I might be losing atoms from my domain but cant see why this would happen. This has also lead to drastic increase in the computation time. Have attached the two log files

Any help would be appreciated.


log_362.lammps (13.9 KB)

log_347.lammps (13.9 KB)

If you lose atoms, LAMMPS will throw an error when it
does thermo output, unless you tell it not to with thermo_modify lost.


Thanks Steve. So thats out of the way. Could you direct me in a direction to figure out what could be causing it nd probably hw to fix it. This is the first time I am seeing this happen in this type of problem so as of now unable to come up with a possible explanation/solution.


not really - you have to debug your own input scripts.