I ran a example in.deca-ala_imd under directory lammps-stable_11Aug2017/examples/USER/misc/imd.
I didn't change anything of example script except inserting restart command. I changed the time-step of system at 11000 step, then the energy jumped. I also checked the energy of the system, and is was continued in the whole simulation. Once I increase time-step, the energy increase.
I just ran the simulation in one file without restart command. The energy of the system also increased when time-step increase.
On Tuesday, 15 May 2018, 2:04:45 PM GMT-5, Stefan Paquay <stefanpaquay@...24...> wrote:
This most likely is not drift, because it looks like a sudden jump at a nicely round number of steps (10000). Which example did you run? Are all your pair styles and settings restart-compatible? If you do not restart but run twice as long, is the jump present or not?