[gmx-developers] Question about parallel computing

张倩 viviqzhang at gmail.com
Fri Dec 15 03:19:07 CET 2006


    I have the question about how to run GROMACS in parallel.
   I use the GROMACS3.3.1 , FFTW3.0.1 and MPICH1.2.7 on ROCKS 4.1.
   I have compiled the GROMACS like this:
      ./configure --enable-mpi --disable-nice
     make install
   And it can works well with less than 5 computing nodes,when using more
than 5 computing nodes,
some of the computing nodes will run all the while, and I have to kill the
processes by myself.
  How can  I solve the problem?
  Thank you !


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