[gmx-users] An error in parallel

Justin A. Lemkul jalemkul at vt.edu
Sun Mar 30 15:53:38 CEST 2008

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.


> --
> 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


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