Dear Dr. Chris Neale, Thank you for this reply, actually I am able to run job using multiple aprun. One thing is clear that in order to divide whole run into smaller bin (in term of ns) one need to invoke 'aprun' for every 'mdrun'. Correct me, in case it is not true. I am trying to follow your other suggestions.
With best regards, Satyabrata Das -- 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.
