Dear LAMMPS users,
In recent days, while I am running my simulation in cluster, I am facing the difficulty of simulation getting stuck at a point. I am attaching the input script and log file for reference.
same issue was observed while restarting the same simulation from a restart file, interestingly the restart file was used once and it worked fine, two times after that, while using the same restart file the simulation got stuck at the same point.
Could someone please make me understand what is causing this and how to get rid of this.
input.txt (2.0 KB)
trial.log (36.1 KB)
Please read the getting started post and give a bit more context to your question. You can found it here.
For example, how do you know your simulation gets stuck? The thermo output period is raised from 1000 to 10000 in your input just before your last runs and they are quite long. You are also not integrating the same group of atoms between your two equilibration runs. Finally I see a warning message at the top of your log file mentioning that you use standard input redirection in a parallel run instead of command-line argument argument (
There is nothing indicating an issue from LAMMPS. Did you doing more frequent thermo outputs? Shorter simulations? Get consistent results from several processors configurations and solve relevant errors and warnings in your log files?