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

[Florian Haberl]

Hi,


> 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

Greetings,

Florian

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