Dear Lammps users,
I have a critical problem to address and I will be grateful to the community for providing their suggestions.
Following is the pipeline of my task:
- I want to run multiple instances of parallel lammps jobs parallely. Here every lammps job is running with different force field but identical geometry, schedule and number of cores.
- After the jobs finish do some processing and update the force field files.
- Repeat step 1.
I am aware of running serial lammps jobs parallely using pbsdsh (have used quite often) on torque PBS submission system and also GNU parallel (have never used it).
But I couldn’t find anything which can accomplish the aforementioned task. I tried doing it using MPI but that ends setting up recursive MPI call which is not allowed.
If somebody knows some tool to execute this task, I will be grateful.
Thanks,
Ankit