[gmx-users] continuing a run, no .cpt file generated

[shivangi nangia]

Hello,

I am continuing a replica exchange run. This is the second continuation but
no .cpt file is getting generated.
Only .edr .trr .log file gets created.

I have never come across such a problem, nor I could find anything in the
forum.

part of the submission script is:

set tpr = 2restart

set cpt = 1cont

set outname = 2cont


srun  gmx_mpi mdrun  -s $tpr -deffnm $outname -cpi $cpt -multi 11  -replex
500 -dhdl dhdl_md_2cont

I used the same script to do 1restart and cpt files were generated.
Can anyone please suggest a plausible reason?



Many thanks in advance,
sxn