Hi, I am running simulations on a cluster that terminates jobs after a hard wall clock time limit. Normally this is not a problem as I just restart the simulations using -cpi state.cpt but for the last batch of simulations I got (for most but not all of them) the error:
"Failed to lock: 1uao.md.log. Already running simulation?" There is definitely nothing running. I have tried to move the log file to another directory and then moved it back (to get rid of any write locks) but the error stays the same. If I delete the logfile it also crashes because it cant find the file and if I replace the log file with an empty new file then I get "Can't read 1048576 bytes of '1uao.md.log' to compute checksum. The file has been replaced or its contents have been modified. Cannot do appending because of this condition.". Using "-noappend" and then concatenating is also not a great solution as this becomes quite cumbersome with many simulations. Any ideas? Thanks! -- 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.
