Hello everyone. I am using the variance constrained semi-grand-canonical (VCSGC) module with a modified embedded atom method (MEAM) potential in lammps.
I found that with a MEAM potential, the lammps process would be stalled (but the job in Linux slurm was still running) at a high temperature. I know it is quite slow to use VCSGC with a potential which is not in EAM style, but I have no choice. When I cooled down the box, the process would not be stalled. This is the most confusing thing. I don’t know the reason about it. Could anyone tell me the reason and how to handle it?
Since VCSGC is not part of the LAMMPS distribution the code has not been reviewed and tested by the LAMMPS developers for correctness and been subject to static code analysis that we apply to detect issues. Thus, I suggest you contact its developers about this.
I see. Thank you for your answer.