[gmx-developers] Question

张倩 viviqzhang at gmail.com
Mon Dec 11 10:06:10 CET 2006

 Dear gmx-developers:

    I am a user of GROMACS, and now I have a problem of using GROMACS in
paralled. Could you please help me to solve the problem?
    I have compiled GROMACS with MPI support: set the option --enable-mpi to
the configure script and compile.  And I can use the program called mpirun
to run the GROMACS in paralled, but I can only run with less than 5
computing-nodes. When using more than 5 computing-node , some of the
computing-node will run all the while ,and I have to kill the processes by
myself. I want to know why it works like this, and how can I solve the
    Thank you  very much!


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