I hope your gromacs is compiled in a parallel cluster for you to use gmx_mpi.
*Thank you* *Gangotri * On Tue, Sep 19, 2017 at 11:06 AM, K. Subashini <subashi...@hotmail.com> wrote: > Hi gromacs users, > > > I am using version 5.1.4 > > > How to use gmx_mpi? > > > I got the following error message > > > Executable: /home/subashini/GPU/bin/gmx_mpi > Data prefix: /home/subashini/GPU > Command line: > gmx_mpi -v -deffnm eq > > ------------------------------------------------------- > Program: gmx_mpi, VERSION 5.1.4 > Source file: src/gromacs/commandline/cmdlineparser.cpp (line 234) > Function: void gmx::CommandLineParser::parse(int*, char**) > > Error in user input: > Invalid command-line options > Unknown command-line option -v > Unknown command-line option -deffnm > > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > Halting program gmx_mpi > -------------------------------------------------------------------------- > 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. > -------------------------------------------------------------------------- > > > Kindly let me know how to fix it? > > > Thanks, > > Subashini.K > -- > 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. > -- 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.