[gmx-users] Mpirun continuing mdrun
mark.j.abraham at gmail.com
Sun Nov 11 08:23:26 CET 2018
No, your log file has information on whatever might be the problem. I would
start by investigating what warning you are suppressing. Those are not
given just for fun :-)
On Sun, Nov 11, 2018 at 12:23 AM rose rahmani <rose.rhmn93 at gmail.com> wrote:
> I did 2ns simulation as an equilibration step by mdrun,
> Mdrun -v -deffnm md1
> and now i want to do product run for 100ns by mpirun,
> Grompp -p -f -c md1.gro -t md1.cpt -o md2.tpr -maxwarn 1
> Mpirun -np 8 mdrun -v -deffnm md2
> but it will crush after few minutes at intialization...
> Is that because i use mpirun?
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