On Sat, Dec 14, 2013 at 10:52 AM, Keerthana S.P Periasamy < keerthanas...@yahoo.com> wrote:
> > > > > > On Saturday, December 14, 2013 10:51 AM, Keerthana S.P Periasamy < > keerthanas...@yahoo.com> wrote: > > Hai > > initially I used 4processors for mdrun and due to some power > fluctuations i have restatrted my file using 8 processors. I am getting the > message as follows. I want to know whether I am correct? > > > #nodes mismatch, > current program: 12 > checkpoint file: 4 > > #PME-nodes mismatch, > current program: -1 > checkpoint file: 0 > > Gromacs binary or parallel settings not identical to previous run. > Continuation is exact, but is not guaranteed to be binary identical. > As the note suggest, please supply the checkpoint file to the mdrun command while you are restarting the simulation. The checkpoint file can be supplied with the -cpi FILE.cpt command. Chandan > > > thanks > Keerthana > -- > 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. > -- Chandan kumar Choudhury NCL, Pune INDIA -- 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.
