[gmx-users] New files after simulation run

[Deep kumar]

Hi All,

I have run an extended simulation for 90ns like this: (my previous run was
for 10ns)

grompp -f new.mdp -c old.tpr -o new.tpr
mdrun -s new.tpr -cpi old.cpt

I output mdrun STDOUT to an output file and it looks like this:

##############################################

Back Off! I just backed up traj.trr to ./#traj.trr.2#

Back Off! I just backed up traj_comp.xtc to ./#traj_comp.xtc.2#

Back Off! I just backed up ener.edr to ./#ener.edr.2#
starting mdrun 'Protein in water'
90000000 steps,  90000.0 ps (continuing from step 10000000,  10000.0 ps).

NOTE: Turning on dynamic load balancing


Writing final coordinates.

 Average load imbalance: 2.3 %
 Part of the total run time spent waiting due to load imbalance: 0.8 %
 Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0
% Y 0 %
 Average PME mesh/force load: 0.716
 Part of the total run time spent waiting due to PP/PME imbalance: 3.3 %


               Core t (s)   Wall t (s)        (%)
       Time:  9377991.988   379495.043     2471.2
                         4d09h24:55
                 (ns/day)    (hour/ns)
Performance:       18.214        1.318

##########################################################

I was expecting the new files to be generated with names "new.xtc"..
"new.edr" ...etc, but I see in the output file the files generated are :
(Moreover, there is no "new.log" file after the run finished)

traj_comp.xtc, traj.trr and ener.edr.

Can someone please tell me why this happened or if something wrong has
happened during the run?

Thanks,
DK