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

Roland Schulz 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:

> 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
> 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.

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.


> cheers,
> Massimo
> --
> 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.

ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20121012/effc4640/attachment.html>

More information about the gromacs.org_gmx-developers mailing list