Axel, yes, I have tried smaller timestep from 5 fs to 1 fs, and smaller
velocity from 30 to 3 A/ps. The same problem happens.As you can see from my attached video, atoms seems suddenly being "freezed"
at a certain step (during the process of fix deposit), the corresponding
temperature increases fast from 300 K to 100000 K. Do you know what will be
the problem?
no. this looks like a complex simulation setup. the only way to find
out where the problem is would be to simplify it step by step or
rebuild it step by step and see where the problem could be coming
from. this doesn't sound like it is a LAMMPS issue per se, but rather
due to something (complicated?) that you request in your input that
does not behave in the way you expect it. that is something that you
will have to debug by yourself. if you have some from of convincing
proof that some part of LAMMPS doesn't work as advertised, please let
us know and provide a (much simpler!) example that demonstrates that.
I've attached the complete input script and the thermo output file.
nope. don't see it. but it doesn't matter.