[gmx-users] version 3.3 - Range checking error

[Joanne Hanna]

Hi 

I have sent you the compressed logfile and tpr directly.

I have not tried gromacs v3.3 on any other architecture no. I will have a go now.

Jo

Joanne Hanna
Department of Chemistry
University of Warwick
Coventry
CV4 7AL

J.F.Hanna at warwick.ac.uk
>>> spoel at xray.bmc.uu.se 11/25/05 15:09 PM >>>
On Fri, 2005-11-25 at 14:19 +0000, Joanne Hanna wrote:
> Not knowing how significant differences would have to be to be a porblem. Here is the first 500 steps output (at every 100 steps).

Hm not very spectacular differences. Please send me a compressed tpr
file off the list. As soon as I succeed compiling gromacs on an Itanium
system I'll test it. Did you try it on other architectures by the way? 



-- 
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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