Yes. Back up your files, try it and see. ;-) Note that REMD is no more "time consuming" than each component simulation. More resources are consumed, however.
Mark On Oct 21, 2012 9:15 PM, "Albert" <[email protected]> wrote: > hello: > > I found that the REMD is really time comsuing MD and it will over the > cluster walltime limitation. I am wondering, how to restart the jobs after > it stopped by the walltime limitation? will simple add -cpi at the end of > command works? > > mpiexec -n 160 /opt/gromacs/4.5.5/bin/mdrun -npme 6 -nosum -dlb yes -v -s > remd_.tpr -multi 16 -replex 1000 -cpi > > thank you > Albert > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to [email protected]. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
