[gmx-developers] When will 4.6 kernels be back?
roland at utk.edu
Sat Oct 13 02:58:20 CEST 2012
On Fri, Oct 12, 2012 at 6:01 PM, ms <devicerandom at gmail.com> wrote:
> 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:
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.
So, are kernels back? Are they not? If not, when should I check again? :)
You can use "5ba7125c5972f2a^" if you don't want to wait.
> Massimo Sandal, Ph.D.
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