Hi, Using GROMACS 4.5.3 I tried to continue an mdrun from a checkpoint, and got an error that I have never seen before, to whit:
Program mdrun_mpi, VERSION 4.5.3 Source code file: /global/software/build/gromacs-4.5.3/gromacs/src/gmxlib/checkpoint.c, line: 1727 Fatal error: The original run wrote a file called 'traj.xtc' which is larger than 2 GB, but mdrun did not support large file offsets. Can not append. Run mdrun with -noappend For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors I've never had a problem with extending runs like this before. As suggested, I then ran with -noappend set, and it ran fine, creating a new set of numbered files for the ouput. I am assuming that I'll be able to combine the trajectory files at the end of the process. Have I missed some fine point in compiling that has left mdrun a little broken? Thanks, Warren Gallin-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
