I have some issues using the
restart command with LAMMPS, especially on a Cluster.
I am preparing a system, going through some simulations steps. Between each step, I check several quantities, in order to apply modification to the next step. Because I want to keep the last state AND the velocities, I tried to use the
restart command instead of
While doing a
read restart, the run is incredibly slow. My guess is that the
restart command is creating a file optimized for the current procs and nodes and if I’m using differents settings/procs/nodes for the next step, it won’t be able to run properly. Am I wrong ?
Is there anyway to overcome this or should I keep the same submission settings and try to get the same partition for every run ?
Thank you for your help,