[gmx-users] how to restart remd jobs?

[Mark Abraham]

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" <mailmd2011 at gmail.com> 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    gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists>
>