[gmx-users] questions!

Stephan Frickenhaus sfrickenhaus at awi-bremerhaven.de
Wed Nov 10 09:36:37 CET 2004


i guess the fact that  mdrun runs in parallel is not the problem but 
prepare the topol.tpr for a parallel run.
How was your topol.tpr prepared?


孔韧 wrote:

>I can't compile Gromacs-3.2.1 in parellel correctly!
>I do everything what the install file said. MPI was installed previously.
>But I got the error information when I do mpi_mdrun
>When I input "mdrun_mpi -np 8 -s topol.tpr -V -N 8"
>" Fatal error: run input file /data1/wangcx/gromacs/share/tutor/speptide/topol.tpr
>was made for 8 nodes,
>             while mdrun_mpi expected it to be for 1 nodes."
>Parellel computation in multi node is prohibited.
>And I'm sure that I compiled the mdrun in parrellel.
>Thanks a lot for your answer!
>I wait it eagerly!
>                                  Department of Bioengineering
>                                  Bei Jing University of Science and Technology 
>                                  Yours,sincerely    
>                                  RenKong
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       Dr. Stephan Frickenhaus
  sfrickenhaus at awi-bremerhaven.de
Alfred-Wegener-Institute for Polar and Marine Research
Columbusstraße D-27568 Bremerhaven, Germany
0471-4831-1179 (Di, Do)
0421-218-4819 (Mo,Mi,Fr)

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