Dear Dr. Axel Kohlmeyer,
Hello Dr. Kohlmeyer. I was curious if I could ask a question in regards to restarting a LAMMPS script.
My LAMMPS script will consist of 20 million MD steps that can finish within the 24-hour time limit of my cluster.
In my LAMMPS script, I have coded to output restart files every 5 million MD timesteps. To understand restart command, I supposed that my job crashed unexpectedly at 13 million MD steps. Therefore, when I run my exact same LAMMPS script except change the read_data Name_of_Data_File to read_restart Restart_File@…36…7333…steps, it seems that my output file is redoing the computation from the very first timestep at 0, instead of taking off where it aborted at 13 million MD steps.
I have attached a short LAMMPS script that replicates this concern. This short script outputs restart files every 200 MD steps.
When I specified read_restart 200_Strain_Rate_10mu.restart, for example, and rerun the script, I am obtaining the results from the very beginning instead of results starting at 200 MD step.
I have gone through the manual which states that read_restart should start from where the simulation left off which the information is stored in the .restart file. I would greatly appreciate if you could provide me with any guidance to the reference.
Thank you.
Sincerely,
Masato Koizumi
0.0714_rho_Single_HET (221 KB)
Strain_Rate_Loading_10mu.in (903 Bytes)