[gmx-developers] mdrun not working with VERSION 3.3_beta_20050202

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Tue Feb 15 16:13:39 CET 2005


> David is currently running some tests on the Thunder system at LLNL,
> but since both compilers and CPUs might differ a bit I'm certainly
> interested in both single and double precision results to make sure
> we're not having performance problems anywhere (e.g. due to different
> cache latencies, the ia64 code is pretty sensitive to that).

Do you want all output data or some special debug flag to run?
Or are the benchmark results enough.

Are there than soon any news about performance on supercluster as i asked 
here: http://www.gromacs.org/pipermail/gmx-users/2005-January/013903.html



 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de

More information about the gromacs.org_gmx-developers mailing list