Hi Albert, Please accept my apologies, I must have misread your e-mail. Effectively everything seems to be right in the command line and I am not able to understand either why you get the error.
Good luck. Cheers, Davide On 19/10/12 7:54 PM, "Albert" <mailmd2...@gmail.com> wrote: >hello David: > >thanks for kind reply. >The .tpr file was created by grompp in cluster and there is no problem >for that. > >thank you very much >Albert > >On 10/19/2012 08:52 AM, Davide Mercadante wrote: >> Hello, >> >> Basically is telling you that the output (.tpr) file that grompp should >> have created is not there to be read. >> >> Check if grompp ran correctly and produced the wanted output. I suspect >> that it may have failed for some reasons. >> >> Hope this helps, >> >> Cheers, >> Davide >> >> On 19/10/12 7:37 PM, "Albert" <mailmd2...@gmail.com> wrote: >> >>> hello: >>> >>> I am trying to submit replica exchange jobs to cluster by following >>> command, but failed: >>> >>> g_tune_pme_d -x -np 128 mdrun -s remd_.tpr -multi 16 -replex 1000 >>> -reseed -1 -launch >>> >>> Here is the log file: >>> >>> ------------------------------------------------------- >>> Program g_tune_pme_d, VERSION 4.5.5 >>> Source code file: gmx_tune_pme.c, line: 1579 >>> >>> Fatal error: >>> File remd_.tpr not found. >>> For more information and tips for troubleshooting, please check the >>> GROMACS >>> website at http://www.gromacs.org/Documentation/Errors >>> ------------------------------------------------------- >>> >>> >>> I've got all necessary .tpr file in the same directory (remd_1.tpr, >>> remd_2.tpr ......) >>> >>> thank you very much >>> Albert >>> -- >>> 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 >> > >-- >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 -- 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