[email protected] 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
here
http://repo.or.cz/w/gromacs.git/shortlog/refs/heads/release-4-0-patches,
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...
Mark
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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