Hi, Have you read and try what mdrun tells you, like -deffnm option? in recent version of gromacs, if you do not want to append the output to old output files, use option -noappend.
On Mon, Apr 6, 2020 at 6:06 PM Sadaf Rani <sadafra...@gmail.com> wrote: > Dear Gromacs users > I am restarting a simulation with the following command:- > mpirun gmx_mpi mdrun -s md10.tpr -cpi md10_prev.cpt -append > > However, I am getting following error message. All the below-named files > are there in my directory but it still complains the same. > > Inconsistency in user input: > Some output files listed in the checkpoint file md10_prev.cpt are not > present > or not named as the output files by the current program:)Expected output > files > that are present: > > Expected output files that are not present or named differently: > md10.log > md10.xtc > md10.trr > md10.edr > md10.xvg > To keep your simulation files safe, this simulation will not restart. > Either > name your > output files exactly the same as the previous simulation part (e.g. with > -deffnm), or > make sure all the output files are present (e.g. run from the same > directory > as the > previous simulation part), or instruct mdrun to write new output files with > mdrun -noappend. > In the last case, you will not be able to use appending in future for this > simulation. > > I also tried without -append option. > Please correct me if I am wrong somewhere. > Thanks. > > Sadaf > -- > 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. > -- 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.