[gmx-developers] Re: [gmx-users] Please test the new Gromacs-4.5!

[Rossen Apostolov]

  On 9/2/10 3:38 PM, Christoph Junghans wrote:
> Hi Rossen & others,
>
> great work!
>
> Btw., ohloh.net estimates the work put in gromacs as 406(!) person 
> years, which have a value of $ $ 22,350,874
> But see yourself: <http://www.ohloh.net/p/gromacs>
> the code analysis is quite interesting, even it is says 57% assembly ;-)
>

I put a widget on http://www.gromacs.org/About_Gromacs :)

Rossen

> Cheers,
>
> Christoph
>
> PS: Is there a change to get another 4.0 release?
>
> Am 02.09.2010 11:17, schrieb Tsjerk Wassenaar:
>> Hi Rossen e.a.,
>>
>> Great work! Thanks.
>>
>> I pulled the GIT version today, expecting that release-4-5-patches
>> would now be the final 4.5, but it still welcomes me
>>
>>                            :-)  VERSION 4.5-beta4  (-:
>>
>> Probably I still miss out on the GIT stuff :) Can you enlighten me?
>>
>> Cheers,
>>
>> Tsjerk
>>
>> On Thu, Sep 2, 2010 at 10:51 AM, Rossen Apostolov
>> <rossen.apostolov at cbr.su.se>  wrote:
>>>
>>>   Dear users,
>>>
>>> Gromacs-4.5 is finally out and although all major and critical bugs 
>>> have
>>> been cleared, we are aware that there are probably many small issues 
>>> still
>>> left.
>>>
>>> We would like to ask all users to go ahead and heavy test run the 
>>> code. For
>>> example,
>>>
>>> compile on different platforms with different compilers
>>> use different MPI and math libraries
>>> use exclusively the CMake build system. Autoconf *will be removed* 
>>> after
>>> this release!
>>> try all new features
>>>
>>> Amber and Charmm forcefields
>>> simulated nucleic acids
>>> implicit solvent simulations
>>> Velocity-Verlet integrators, MTTK pressure control and Nose-Hoover 
>>> chains
>>> Free energy calculations and g_bar
>>>
>>> errors/inconsistencies/typos in the documentation
>>>
>>> If you find any kind of reproducible problems, even minor ones, 
>>> please file
>>> a bugzilla report ! We will clear them out as soon as possible. If 
>>> there is
>>> no report, we'll assume there is no bug :)
>>>
>>> This test run will be important for distribution package maintainers 
>>> - let
>>> us know if you have issues specific to your systems.
>>>
>>> And one more thing - there is a deadline :) We'll try to fix all 
>>> reports
>>> that are filed in the next two weeks (i.e by Sept. 15)! After that 
>>> priority
>>> will be given to development work on major code restructuring 
>>> towards 5.0.
>>>
>>> We're awaiting your reports!
>>>
>>> -- 
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>>>
>>
>>
>>
>