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Hi,
just a quick notice that i was able to solve my problem with the PMEMD
jobs hanging and producing no output files.
The (maybe not so perfect) solution was to compile with
- -DSLOW_NONBLOCKING_MPI (see README file in src/pmemd). Now the jobs run
fine but at the cost of approx. 20% speed loss.
Unfortunately i can't provide details about the used Infiniband drivers
and MPI versions as we do not operate that cluster by ourselves.
Bye,
Fabian
- --
Fabian Bös
Institute of Technical Biochemistry
University of Stuttgart / Germany
Phone: +49-711-685-65156
Fax: +49-711-685-63196
Email: fabian.boes.itb.uni-stuttgart.de
http://www.itb.uni-stuttgart.de
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Received on Sun Jul 09 2006 - 06:07:12 PDT
