[Dock-fans] Re: Dock parallel run tutorial

Scott Brozell sbrozell at scripps.edu
Tue May 22 17:25:55 PDT 2007


Please use dock-fans instead of contacting developers directly.

andreyvoronkov wrote:

> is there any tutorial on DOCK parallel run?
> As far as I've  found no tutorial on this subject  I want  to ask you if you can send me the example of machinefile with node numbers and dock.mpi file?

There is no tutorial on the web.
One is mentioned as coming soon, but that ad is stale:

There is a demo:

There is a test case:

Here is a brief review of using MPICH2
which will be added to the DOCK manual:

    MPICH2, unlike MPICH, requires command line initialization. If your system administrators have not initialized MPICH2 then follow these steps:
    Create a .mpd.conf file in your home directory containing secretword=mysecretword.
    Create a .mpd.hosts file in your home directory containing a list of machine names, one per line.
    Start the MPICH2 daemons by executing mpdboot.
    Verify the start up of the MPICH2 daemons by executing mpdtrace -l.
    Finally execute DOCK using mpiexec or mpirun. For further information see the MPICH2 README:


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