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

Rossen Apostolov rossen.apostolov at cbr.su.se
Thu Sep 2 11:53:25 CEST 2010


On 9/2/10 11:51 AM, Tsjerk Wassenaar wrote:
> Well, never sure with git :p Probably pulled only on master. I think I
> got it now.
>
Right, master is still at -beta4

> Thanks
>
> On Thu, Sep 2, 2010 at 11:38 AM, Rossen Apostolov
> <rossen.apostolov at cbr.su.se>  wrote:
>>   Hi Tsjerk,
>>
>> Are you sure you actually checked out or updated the release-4-5-patches
>> branch? It works for me.
>>
>> Rossen
>>
>> On 9/2/10 11:17 AM, Tsjerk Wassenaar wrote:
>>> 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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>>>>
>>>
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