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.