Hi, The error message is probably exactly right - you've incorrectly specified the required argument to mpirun -np. This is not a gromacs problem - check your script and consult your cluster's documentation.
Mark On Tue, 15 Nov 2016 05:59 RAHUL SURESH <[email protected]> wrote: > I want to run my .tpr file in cluster. I have my script file and tpr file > in a separate folder in cluster. But it ends up with the error > > */var/spool/torque/mom_priv/jobs/25552.ramanujam.hpc.org.SC > <http://25552.ramanujam.hpc.org.SC>: line 8: 10: command not found* > > *----------------------------------------------------------------------------* > *Open MPI has detected that a parameter given to a command line* > *option does not match the expected format:* > > * Option: np* > * Param: gmx_mpi* > > *This is frequently caused by omitting to provide the parameter* > *to an option that requires one. Please check the command line and try > again.* > > *----------------------------------------------------------------------------* > > > here i have attached my script file. > > Await your help at the earliest Please. > > Thankyou > > > > -- > *Regards,* > *Rahul Suresh* > *Research Scholar* > *Bharathiar University* > *Coimbatore* > -- > 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 [email protected]. -- 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 [email protected].
