[lammps-users] multiple partition runs

Dear forum,

I am not sure whether this is a lammps issue. Recently I figured out how to set multiple partition jobs using LAMMPS.
Though the script exactly works as predicted except one thing. The job continues to run forever even though all the commands
in the input script are executed and the loop is complete. Here is the input script

variable nsims equal 4
label loop1
variable t uloop ${nsims}
if $t == 1 then “variable n equal 20”
if $t == 1 then “variable r equal 5.26”
if $t == 2 then “variable n equal 20”
if $t == 2 then “variable r equal 5.41”
if $t == 3 then “variable n equal 200”
if $t == 3 then “variable r equal 5.41”
if $t == 4 then “variable n equal 200”
if t == 4 then "variable r equal 5.57" shell cd N_{n}/rt_{r} log log.lammps{t}

-------- BODY OF THE SCRIPT ----------------

run 1000000
write_restart restart.equil.*
next t
shell cd …/…/
jump in.ab_berendsen loop1

Any inputs will be appreciated.


Normally, you should trigger an exit when a variable
is exhausted. I would expt with several quick/short
runs to see if you can get it to work, using the
examples in the next/jump doc pages as starting points.

Yes, I did indeed run some short test runs and the outcome is the same, the
job continues to run even after the simulation has finished. One more thing
which I noticed is nothing is written to screen.* files. Also tried the following

Please post a simple, fast script with any additional input
files needed, and I'll try it out.


Find the attached bzip file which contains input script and necessary input data files.
Looking forward to hearing from you.


test.tar.bz2 (584 KB)