On 4/27/2011 9:08 PM, Natalie Stephenson wrote:
Hi,
I was wondering if anyone new a way to run mdrun commands through a
condor system. I've been told by the people that run our system that
unless I can split it into seperate threads then I would not be able
to run it as a job, because it woul
Work with your condor people to recompile gromacs against MPI on their system,
if that is not already the case.
It's probably helpful to specify +ParallelShutdownPolicy = "WAIT_FOR_ALL"
in the condor submission file...
See http://www.cs.wisc.edu/condor/manual/v7.6/2_9Parallel_Applications.html
Sect
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