Read_restart simulating from from the beginning

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 [email protected]…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)

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 *[email protected]*, 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.

this is a case of PEBCAC: http://lammps.sandia.gov/doc/reset_timestep.html​