Hi, as a workaround you could run with -noappend and later concatenate the output files. Then you should have no problems with locking.
Carsten On Nov 25, 2010, at 9:43 PM, Baofu Qiao wrote: > Hi all, > > I just recompiled GMX4.0.7. Such error doesn't occur. But 4.0.7 is about 30% > slower than 4.5.3. So I really appreciate if anyone can help me with it! > > best regards, > Baofu Qiao > > > δΊ 2010-11-25 20:17, Baofu Qiao ει: >> Hi all, >> >> I got the error message when I am extending the simulation using the >> following command: >> mpiexec -np 64 mdrun -deffnm pre -npme 32 -maxh 2 -table table -cpi pre.cpt >> -append >> >> The previous simuluation is succeeded. I wonder why pre.log is locked, and >> the strange warning of "Function not implemented"? >> >> Any suggestion is appreciated! >> >> ********************************************************************* >> Getting Loaded... >> Reading file pre.tpr, VERSION 4.5.3 (single precision) >> >> Reading checkpoint file pre.cpt generated: Thu Nov 25 19:43:25 2010 >> >> ------------------------------------------------------- >> Program mdrun, VERSION 4.5.3 >> Source code file: checkpoint.c, line: 1750 >> >> Fatal error: >> Failed to lock: pre.log. Function not implemented. >> For more information and tips for troubleshooting, please check the GROMACS >> website at http://www.gromacs.org/Documentation/Errors >> ------------------------------------------------------- >> >> "It Doesn't Have to Be Tip Top" (Pulp Fiction) >> >> Error on node 0, will try to stop all the nodes >> Halting parallel program mdrun on CPU 0 out of 64 >> >> gcq#147: "It Doesn't Have to Be Tip Top" (Pulp Fiction) >> >> -------------------------------------------------------------------------- >> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD >> with errorcode -1. >> >> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. >> You may or may not see output from other processes, depending on >> exactly when Open MPI kills them. >> -------------------------------------------------------------------------- >> -------------------------------------------------------------------------- >> mpiexec has exited due to process rank 0 with PID 32758 on >> > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
