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

[Christoph Junghans]

2012/10/13 Roland Schulz <roland at utk.edu>:
>
>
> On Fri, Oct 12, 2012 at 6:01 PM, ms <devicerandom at gmail.com> wrote:
>>
>> Hi,
>>
>> I am using a git-4.6 version of Gromacs (because I need to test AdResS
>> functionality), but with a relatively recent version (2012-09-24) on
>> grompp I get this warning:
>>
>> Reading file topol.tpr, VERSION 4.6-dev-20120924-c42f47a (single
>> precision)
>> Making 3D domain decomposition 2 x 2 x 2
>>
>> * WARNING * WARNING * WARNING * WARNING * WARNING * WARNING *
>> We have just committed the new CPU detection code in this branch,
>> and will commit new SSE/AVX kernels in a few days. However, this
>> means that currently only the NxN kernels are accelerated!
>> In the mean time, you might want to avoid production runs in 4.6.
>>
>> And in fact the run is too slow for my purposes. Of course I understand
>> regressions happen and the warning is fine, I'm not complaining. But
>> just to plan my work, is there any rough idea on when the kernels will
>> be back? I looked a bit on the Git repos but I didn't find anything that
>> looks related to this, apart perhaps from this commit:
>>
>>
>> http://repo.or.cz/w/gromacs.git/commit/7b6508e8318d1d045826616317f8edbaf4658e3b
>
>
> These are the verlet kernels. I don't know whether adress works with verlet.
> If you want to try it you just need to add "cutoff-scheme=Verlet" to the
> mdp.
No, AdResS does not work with the Verlet scheme, I need to add a
grompp check for that.
>
>> So, are kernels back? Are they not? If not, when should I check again? :)
>
> Soon ;-)
> You can use "5ba7125c5972f2a^"  if you don't want to wait.
That will work.

Christoph

>
> Roland
>
>>
>>
>> cheers,
>> Massimo
>>
>> --
>> Massimo Sandal, Ph.D.
>> http://devicerandom.org
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>>
>>
>>
>
>
>
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-- 
Christoph Junghans
Web: http://www.compphys.de