[gmx-users] New to Gromacs -- looking for insights
spellegrini at dps.uibk.ac.at
Wed Dec 9 17:08:10 CET 2009
I am researching optimization for MPI parallel programs.
As I saw Gromacs seems to use MPI and my idea is to test some of the
program transformations I am aware of to improve the performance.
The main problem is how should I get started with Gromacs? :) Which of
the provided programs rely on MPI calls? and furthermore, where can I
find some significant input files?
Thanks in advance for the help.
regards, S. Pellegrini
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