[gmx-users] no error on missing cpt file
gromacsquery at gmail.com
Wed Apr 29 11:50:05 CEST 2015
mdrun is not giving any error about missing cpt file. It runs using tpr
from initial time zero. Sometimes my job get killed and I need to use cpt
file in some script but if cpt is not found my job starts running from zero
time in tpr file which is harmful as it consumes my processors to run job
again from time zero. I would expect it should get killed with error if
some cpt file is not found. My command line in script goes like this:
mdrun_mpi -s dyn.tpr -x dyn.xtc -e dyn.edr -c dyn.gro -g dyn.log -cpi
previous.cpt -cpo dyn.cpt
In this case if provious.cpt is not found mdrun still runs my job but
starting from zero time. Why it should not get killed complaining about
missing previous.cpt file?
Do I need to force something?
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