[gmx-users] Fwd: Gromacs: data distribution and work distribution

Federico Padua padua at uni-mainz.de
Wed Mar 4 17:36:06 CET 2015


Dear Gromacs team,

I am interested in the following information about Gromacs since I'm
writing part of a publication so will be few lines and I would like to
get the right info directly from the people closer to the code (I read
the paper). We are using Gromacs version 5.0.4 and we
would like to know without going too much into details:

- how Gromacs distribute the data to be processed among processors?
- how Gromacs distribute the work among the processors involved in the
calculation?

Thank you very much in advance for your answer and for your time.


Best Regards,

Federico Padua








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