Hi,
Looks like you made a typo with state.cpt and that you perhaps have
multiple mdrun processes running such that the actual output file is in one
of the backup files labelled with # characters.
Mark
On Fri, 17 Nov 2017 19:37 Ali Ahmed wrote:
> Hello GROMACS users
> My MD simulation was crash
Hello GROMACS users
My MD simulation was crashed then I restarted the simulation from the point
when the point was written using this command on 64 processors: mpirun -np
64 mdrun_mpi -s md.tpr -cpi stat.cpt
After few days I got nothing in the folder usch as output.gro and I got the
following
___
Hi,
My simulation stopped because of power outage and I restarted it using the
command:
mpirun -np 32 mdrun_mpi -cpi mdrun.cpt -s mdrun.cpt
It shows correctly the restarting time point, however the mdrun.log is not
getting updated and I don't know how to verify whether the simulation is
being co
