[gmx-users] how to restart remd jobs?

Albert mailmd2011 at gmail.com
Sun Oct 21 10:57:41 CEST 2012


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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