Re: [gmx-users] About the binary identical results by restarting from the checkpoint file

On Sun, Jun 2, 2013 at 10:37 PM, Cuiying Jian wrote: > Hi GROMACS Users, > > These days, I am testing restarting simulaitions with .cpt files. I > already set nlist=1 in the .mdp file. I can restart my simulations (which > are stopped manually) with the following commands (version 4.0.7): > mpiexe

[gmx-users] About the binary identical results by restarting from the checkpoint file

Hi GROMACS Users, These days, I am testing restarting simulaitions with .cpt files. I already set nlist=1 in the .mdp file. I can restart my simulations (which are stopped manually) with the following commands (version 4.0.7): mpiexec mdrun_s_mpi -v -s md.tpr -cpt 0 -cpi md.cpt -deffnm md -repr