[gmx-users] Testing

David van der Spoel spoel at xray.bmc.uu.se
Fri Aug 1 16:50:39 CEST 2008

David Chan wrote:
> I did actually run the test set on an earlier installation of gromacs on 
> this computer and I just ran it again to see what the output would be. 
> The only error I receive is in the dec+water files, which is described 
> in the wiki as 'unimportant' (I did check the #s and they are similar to 
> what was described). So I missed the gcc error even though I was using 
> the test set.
> Now that I think about it I do recall seeing something about the gcc 
> version previously, but I didn't put it all together. I just saw the 
> warning at: http://www.gromacs.org/content/view/79/58/  I don't recall 
> seeing it there before. My apologies if I simply missed it when 
> downloading the files earlier. Since I had downloaded these files 
> previously I was reading the installation procedure in the documentation 
> (http://www.gromacs.org/content/view/19/32/) - maybe a line in there 
> would be good, too?
> Thanks Chris & David for your help! I am reinstalling now - hopefully 
> everything will work after that!

Although this kind of errors can be triggered by the compiler, they can 
sometimes be remedied with a work around. So please consider submitting 
a bugzilla anyway. It is in everyones interest to prevent this kind of 

> David
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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://folding.bmc.uu.se

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