How to read multiple restart file in one script

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1

Dear all,

After I run the simulation, I realize that I need to do more equilibration and data measurement for my system at many temperature points.

I have restart file at each of the temperature point, but it seems that LAMMPS does not allow me to do something like:

Variable tempSi index 1000 1100 1200 1300

label loop

read_restart npSi4nm.restart.${tempSi}Knve

….

….

Run 10000

Next tempSi

Jump file loop

Is there a way I can do one simulation which contains separate runs, each of which can read a different restart_file?

Thanks,

Andy

2

Dear all,

After I run the simulation, I realize that I need to do more equilibration and data measurement for my system at many temperature points.

I have restart file at each of the temperature point, but it seems that LAMMPS does not allow me to do something like:

Variable tempSi index 1000 1100 1200 1300

label loop

read_restart npSi4nm.restart.${tempSi}Knve

….

….

Run 10000

Next tempSi

Jump file loop

Is there a way I can do one simulation which contains separate runs, each of which can read a different restart_file?

3

In parallel, you can also use the command
line -partition option to use different processors
to run different simulations independently.

See Section 6.4 of the manual for an overview.

Steve

4

Thanks! Putting the “clear” after “next” and before “jump” enables me to do several read_restart in one input script.

Andy