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

clear

shell cd …/…/

jump in.ab_berendsen loop1

Any inputs will be appreciated.

Cheers

Srikanth