[gmx-users] where is the gromacs 4.0.6/7 revision list?

Mark Abraham Mark.Abraham at anu.edu.au
Sat Dec 12 04:39:31 CET 2009

chris.neale at utoronto.ca wrote:
> Hello,
> I am very interested to know exactly what has changed between gromacs 
> 4.0.5 and 4.0.6/7. I understand that the test set is no longer useful 
> for gmx-4 (see quote below) and I'm not strongly motivated to update my 
> gromacs version when I don't know what bugs will be fixed and there is 
> always some non-zero chance of new bugs being introduced. Then again, I 
> am motivated to get rid of a buggy version if indeed 4.0.5 should be 
> described as such.
> Quoting the homepage:
> "Gromacs-4.0.6 has been released, and a couple of hours later 4.0.7 
> since the first version tried to build 3DNow instructions by default on 
> 64bit linux (don't worry - there's nothing wrong if you managed to build 
> 4.0.6!) This is a maintenance version that fixes a number of minor bugs 
> reported in bugzilla over the last couple of months."
> I have done my best to find details on these "fixes a number of minor 
> bugs", but have not found anything. I checked the revision mailing list, 
> but found no posts since April 2009: 
> http://lists.gromacs.org/pipermail/gmx-revision/
> There is also no useful information here:
> http://www.gromacs.org/About_Gromacs/Release_Notes/Revisions_in_4.0
> on exactly what those changes might be...

I started a 4.0.7 revisions list there and noted the issues that came to 
mind. The canonical source for such a list should be the git commits 
but these are often cryptic and need re-writing for a revisions list 
useful to non-developers. When I have some more time I'll put more 
revisions up, but others should make an effort for things they've fixed...


> And quoting this page:
> http://www.gromacs.org/index.php?title=Download_%26_Installation/Test-Set&highlight=test 
> "While there has been a release of the test set aimed at GROMACS 4 
> (gmxtest-4.0.4.tgz), it is not terribly useful and has a number of known 
> failure cases. Accordingly, attempting to test your GROMACS 4 release 
> with that test is not strongly recommended."
> I'd be grateful if anybody can point me in the right direction here.
> Thanks,
> Chris.

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