[gmx-developers] Gromacs 4.0.5 released?

[Justin A. Lemkul]

Erik Lindahl wrote:
> Hi Manuel,
> 
> Sorry, we'll announce it :-) Actually, this was mostly a fix for a 
> powerpc build in Barcelona and rather than doing a separate build I 
> figured I could pack what we had in the release branch for everybody.
> 
> In the future, I would probably prefer to move to a setup where we 
> semi-automatically release a new version from the release branch every 
> 2-3 weeks (together with nightly builds). Every time we formally 
> "prepare" for a release there ends up being "just one more fix" that 
> should go in - two days later the first person doesn't have time to make 
> the release, and then we wait another week, after which there is "just 
> one more fix", etc. ;-)
> 

Would such frequent releases cause problems with version consistency?  I always 
try to conduct my projects using the latest version of Gromacs (which is always 
recommended to make use of bug fixes and new features), but if we have new 
versions every few weeks, are users then encouraged to continue existing 
simulations under newer versions?  Certainly moving from 3.3.x to 4.0.x wouldn't 
make much sense, with all the lovely 4.0 features that are new; I'm referring 
mostly to minor revisions within the 4.0.x series.

Also, there has been increasing discussion of this bug affecting more and more 
users:

http://bugzilla.gromacs.org/show_bug.cgi?id=313

Has anyone nailed down the source?  It seems that LJ-14 energies are not 
calculated correctly in 4.0.4, which seems pretty serious to me.

Thanks in advance for any comments.

-Justin

> Cheers,
> 
> Erik
> 
> 
> On May 12, 2009, at 12:47 PM, Manuel Prinz wrote:
> 
>> Hi everyone,
>>
>> since last Saturday there's a gromacs-4.0.5.tar.gz available on the FTP
>> server. Nevertheless, I did not find an announcement on either the 
>> website
>> or the mailing list. Is this an official release tarball?
>>
>> On an aside, do you have plans to reactivate the announce mailing 
>> list? It
>> seems like it hasn't been used in years but I'd really appreciate it to
>> use it since announce emails can get lost in the regular list traffic
>> quite easily.
>>
>> All the best, and thanks for this great piece of software!
>>
>> Manuel
>>
>>
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> 
> ------------
> Erik Lindahl   <lindahl at cbr.su.se>  Backup: <erik.lindahl at gmail.com>
> Associate Professor, Computational Structural Biology
> Center for Biomembrane Research, Dept. Biochemistry & Biophysics
> Stockholm University, SE-106 91 Stockholm, Sweden
> Tel: +46(0)8164675  Mobile: +46(0)703844534  Fax: mail a PDF instead
> 
> 
> 
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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