[gmx-users] questions!

孔韧 kongren at emails.bjut.edu.cn
Wed Nov 10 08:12:09 CET 2004

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 

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