[gmx-developers] MPI?

Jonathan Phillips 994phij at gmail.com
Sun Feb 20 22:50:45 CET 2011


I'm relatively new to c, and am trying to learn in order to patch gromacs.
I followed the git instructions on
http://www.gromacs.org/Developer_Zone/Git/Git_Tutorial: when I run
e.g. grompp it says I have 4.5.3-dev, but when I look at the source it
says 3.2.03

It looks like I'm going to need to learn threading.  Here:
http://www.gromacs.org/Documentation/Terminology/Threading  it says
that external MPI isn't needed in the latest versions, but the source
seems to use thread_mpi.h does that mean that internal MPI is used and
I still need to learn MPI, or something else?

Jon Phillips

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