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

[David van der Spoel]

On Tue, 2005-02-15 at 16:13 +0100, Florian Haberl wrote:
> 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.
Just the best performance together with an explanation of the compiler
flags.
> 
> 
> 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
> 
If you mean PME performance, I'll try it today.

> Greetings,
> 
> Florian
> 
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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