[gmx-users] New to Gromacs -- looking for insights

Simone Pellegrini spellegrini at dps.uibk.ac.at
Wed Dec 9 17:08:10 CET 2009

Dear all,
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091209/01c2a537/attachment.html>

More information about the gromacs.org_gmx-users mailing list