[gmx-users] Re: parallel run hangs (not crashed)
Mark.Abraham at anu.edu.au
Mon May 29 10:17:45 CEST 2006
chris.neale at utoronto.ca wrote:
> On Mark Abraham's suggestion I verified that mpirun isn't a local wrapper.
> However, he also suggested "mpirun may not play nicely with a single-processor
> script that subsequently runs an MPI child process". I forwarded this to our lab
> tech who was unsure what this meant or what the alternative was.
In a batch environment you need to run a script on one processor that
later executes an MPI child process intended for multiple processors.
That may not work automatically. A script that runs a script that runs
an MPI child process may not work automatically where the foregoing
would, depending on local configuration. Test for correct operation by
running a non-gromacs MPI test job.
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