[gmx-developers] When will 4.6 kernels be back?

[Christoph Junghans]

2012/11/18 ms <devicerandom at gmail.com>:
> On 14/11/12 19:44, Christoph Junghans wrote:
>>
>> 2012/11/14 ms <devicerandom at gmail.com>:
>>>
>>> On 13/11/12 19:26, Christoph Junghans wrote:
>>>
>>>>>     ERROR 1 [file grompp.mdp]:
>>>>>       AdResS is currently disabled
>>>>
>>>>
>>>> Sorry, I think, there was a misunderstanding.
>>>> 5ba7125c5972f2aafde2310eaa4a345cbac55da5^ is the last revision, which
>>>> has AdResS and SSE kernels.
>>>> We are working on re-enabling AdResS, but it will take a while.
>>>>
>>>
>>> Awww. Ok, sorry. Now, what I would need (I am just teaching myself
>>> adress...) is the last revision of gmx which was both adress-enabled and
>>> with fast kernels.
>>
>>   5ba7125c5972f2aafde2310eaa4a345cbac55da5 is the revision, where Erik
>> removed the assembly kernels, hence
>> 5ba7125c5972f2aafde2310eaa4a345cbac55da5^ (mind the ^) is the one
>> which still has them.
>> Does that work for you?
>
>
> Thanks for pointing at the missed ^, but still the result is the same:
> adress is disabled.
>
> ---
>
> ERROR 1 [file grompp.mdp]:
>   AdResS is currently disabled
Something must have went wrong:
$git blame ./src/kernel/readir.c | grep "AdResS is currently"
f40969c2 (Erik Lindahl       2012-10-28 14:45:52 -0400 1153)
warning_error(wi,"AdResS is currently disabled\n");
This from a much later commit.

> ---
>
> Steps as before except for the git reset:
>
> ---
>
>  git clone git://git.gromacs.org/gromacs.git
>
>  cd gromacs
>
>  git checkout --track -b release-4-6 origin/release-4-6
>
>  git reset --soft 5ba7125c5972f2aafde2310eaa4a345cbac55da5^
why git reset?
$ git checkout 5ba7125c5972f2aafde2310eaa4a345cbac55da5^
should do it. And check again with "git status" that you don't have
any unwanted modification in the workdir.

Christoph
>
>
>  mkdir build-single-5ba7
>
>  mkdir exec-single-5ba7
>
>  cd build-single-5ba7/
>
>  CC=mpicc CXX=mpiCC cmake ../ -DGMX_MPI=ON -DGMX_DEFAULT_SUFFIX=OFF
> -DGMX_BINARY_SUFFIX="_git4.6" -DGMX_LIBS_SUFFIX="_git4.6" -DGMX_GPU=OFF
> -DCMAKE_INSTALL_PREFIX=../exec-single-5ba7/
>
> make -j 8
>
> make install
>
> ---
>
> thanks and sorry!
> M.
>
>
>>
>>>
>>> Any chance of remembering what it was? :)
>>>
>>> thanks!
>>>
>>> M.
>>>
>>>>>
>>>>> does it mean AdResS is disabled in that revision or did I forget some
>>>>> compilation flag?
>>>>>
>>>>> thanks!
>>>>> M.
>>>>>
>>>>>
>>>>> --
>>>>> Massimo Sandal, Ph.D.
>>>>> http://devicerandom.org
>>>>> --
>>>>> gmx-developers mailing list
>>>>> gmx-developers at gromacs.org
>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-developers
>>>>> Please don't post (un)subscribe requests to the list. Use the www
>>>>> interface
>>>>> or send it to gmx-developers-request at gromacs.org.
>>>>
>>>>
>>>>
>>>>
>>>>
>>>> --
>>>> Christoph Junghans
>>>> Web: http://www.compphys.de
>>>>
>>>
>>>
>>> --
>>> Massimo Sandal, Ph.D.
>>> http://devicerandom.org
>>> --
>>> gmx-developers mailing list
>>> gmx-developers at gromacs.org
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>>
>>
>>
>>
>> --
>> Christoph Junghans
>> Web: http://www.compphys.de
>>
>
>
> --
> Massimo Sandal, Ph.D.
> http://devicerandom.org
> --
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-developers
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--
Christoph Junghans
Web: http://www.compphys.de