[gmx-users] version 3.3 - Range checking error

Joanne Hanna J.F.Hanna at warwick.ac.uk
Fri Nov 25 16:14:38 CET 2005


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.


Joanne Hanna
Department of Chemistry
University of Warwick

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 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

gmx-users mailing list
gmx-users at gromacs.org
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list