[gmx-users] An error in parallel

[shuai lu]

you are absolutly right! Thank you very much!

2008/3/30, Justin A. Lemkul <jalemkul at vt.edu>:
>
> Quoting shuai lu <luai.cpu at gmail.com>:
>
> > Hello,
> >
> > When I processed the mdrun by " mpirun -np 4 mdrun -deffnm md -N 4 &",
> there
> > was an error, saying "run input file md.tpr was made for 1 nodes,
> > while mdrun expected it to be for 4 nodes". Is there anybody who know
> what
> > it means? How should I avoid it, to chang the *.mdp file?
> > Thank you!
>
> Use grompp -np 4.  mdrun -h would have told you this, under the
> information
> about the -np flag.
>
> -Justin
>
> >
> > --
> > Lu Shuai
> > China Pharmaceutical University
> >
>
>
>
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul at vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/
>
> ========================================
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-- 
卢帅
Lu Shuai
中国药科大学
China Pharmaceutical University
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