MCCCS Towhee (towhee_parallel)



    This section described the format that is used with the parallel version of the Towhee code (compiled with --enable-mpi flag). If invoked with the "jobfarm" parallel style (with "-p jobfarm" flag, or no "-p" flag at all), towhee reads from an additional file (towhee_parallel) which describes the parallelization strategy to employ for the simulation. Only the current version of this manual is maintained. This was last updated for version 5.0.1.

    Several other parallel styles exist and they are documented in the code. To learn more about these options compile the parallel version of towhee and invoke it with the following command.
      towhee -h
Variable explanations for towhee_parallel
    number of jobs (integer)
    • The number of simulations to run. This is the m variable in the above equation
    stdout filename (formatted character string of length 30 or less)
    • The filename for the output that would normally go to stdout. This output is placed in each of the working directories.
    working directories (formatted character string of length 100 or less)
    • The list of working directories (one per line) where all of the towhee input files are located for each job that you wish to perform. All of the output will be placed in these directories in a manner identical to if you were running a serial job from that directory. Please note that you should specify the full path name for the ff_filename variable (associated with the force field files) in towhee_input.
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Last updated: November 24, 2006