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object --+ | utilities.FileUtils --+ | MDrunner --+ | MDrunnerMpich2Smpd
Manage running :program:`mdrun` as mpich2_ multiprocessor job with the SMPD mechanism. .. _mpich2: http://www.mcs.anl.gov/research/projects/mpich2/
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mdrun =
path to the :program:`mdrun` executable (or the name if it can be found on :envvar:`PATH`) |
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mpiexec =
path to the MPI launcher (e.g. |
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