[gmx-users] Mpirun continuing mdrun

[Mark Abraham]

Hi,

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 :-)

mark

On Sun, Nov 11, 2018 at 12:23 AM rose rahmani <rose.rhmn93 at gmail.com> wrote:

> Hi,
>
> 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?
>
> Best
> Rose
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