Budge report or mistake in input file

Hi all,

I am trying to increase the temperature of a crystal from 0 K to 350 K. My input file is attached .

I am running on supercomputer.

I have problem with fix 8. When time step is 0.1 fs, the run truncates without ending any error massage in the output file. But in the error file below massage appeared

image.png

When I changed the time step to 0.2, same thing happened, it truncated without error massage in the output file with below massage in error file

image.png

Surprisingly I run the simulation with time step 0.1 last night. It terminated successfully.

I appreciate your comments and suggestions.

350inp (2.51 KB)

I do not think that there is enough information here. We would need to know at least

  • The type of supercomputer you’re running on
  • how you submit your job
  • what your lammps version is

image.png

image.png

Hi all,

I am trying to increase the temperature of a crystal from 0 K to 350 K. My input file is attached .

​this input is useless without the matching data file.

also, you ​don’t report the exact version of LAMMPS you are using, the platform, you are running on. how many processors you are using etc.
it would also be helpful to see the output before the failure.

axel.

image.png

image.png