[gmx-developers] Feedback: C++ MPI Module

Roland Schulz roland at utk.edu
Sat Oct 13 05:23:44 CEST 2012


Hi,

feedback for the suggested C++ MPI library for 5.0 (
http://redmine.gromacs.org/issues/996) would be appreciated. The original
aim is to add MPI parallelization for the analysis tools (
https://gerrit.gromacs.org/#/c/1316/). But we believe it would also help
other MPI code in Gromacs to be both easier and faster. Of course everyone
is busy with 4.6 but we are actively working on it so earlier feedback is
easier to incorporate.

BTW: There are several other proposals on redmine for 5.0 which would
probably benefit from more feedback. Some of mine:
http://redmine.gromacs.org/issues/949
http://redmine.gromacs.org/issues/995
http://redmine.gromacs.org/issues/845
http://redmine.gromacs.org/issues/1017

Some of Teemu's:
http://redmine.gromacs.org/issues/1013
http://redmine.gromacs.org/issues/988
http://redmine.gromacs.org/issues/701
http://redmine.gromacs.org/issues/951
http://redmine.gromacs.org/issues/969

Roland
-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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