Thank you On Tue, 15 Nov 2016 at 5:47 PM, Mark Abraham <[email protected]> wrote:
> Hi, > > The list can't take attachments, so we can't see your script. You need to > find out how to call the mpirun you're expected to use - that's a problem > you and every other user of your cluster needs solved, so please go and ask > someone who can simultaneously solve the problem for you and for everyone > else on the cluster. :-) > > Mark > > On Tue, Nov 15, 2016 at 12:12 PM RAHUL SURESH <[email protected]> > wrote: > > > Hi... this s my script file. And I am totally unaware of my cluster > > documentation > > > > On Tue, Nov 15, 2016 at 1:40 PM, Mark Abraham <[email protected]> > > wrote: > > > > > Hi, > > > > > > No, because I can neither see your script nor read your documentation > :-) > > > > > > Mark > > > > > > On Tue, 15 Nov 2016 09:09 RAHUL SURESH <[email protected]> > wrote: > > > > > > > Thank you. Let me check my cluster documentation. Anyway you can help > > me > > > to > > > > correct my script? > > > > > > > > On Tue, 15 Nov 2016 at 1:35 PM, Mark Abraham < > [email protected] > > > > > > > wrote: > > > > > > > > > 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]. > > > > > > > > > -- > > > > 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]. > > > > > > > > > > > -- > > *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]. > -- 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].
