[gmx-users] how to restart remd jobs?
mark.j.abraham at gmail.com
Sun Oct 21 13:20:44 CEST 2012
Yes. Back up your files, try it and see. ;-) Note that REMD is no more
"time consuming" than each component simulation. More resources are
On Oct 21, 2012 9:15 PM, "Albert" <mailmd2011 at gmail.com> wrote:
> 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
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