Dear All, 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? Thanks, JIom -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
