[gmx-developers] time to make 5.1 happen

[Mark Abraham]

Hi Erik,

Yes, that should be fine.

On a wider note, I'm out of time to do 5.1-beta1 today, so I'll try again
Monday afternoon.

Cheers,

Mark

On Fri, Feb 13, 2015 at 3:46 PM, Erik Marklund <erik.marklund at chem.ox.ac.uk>
wrote:

>  Dear all,
>
>  I’ve had a patch for review for a couple of weeks, being one +1 from
> being accepted. It concerns a periodicity issue with gmx hbond that causes
> problems for non-periodic systems. May I ask you to consider reviewing
> https://gerrit.gromacs.org/#/c/4350/ so that it can make it for 5.1?
> Although most simulations use periodic boxes there is a growing number of
> gas-phase studies and it would be a shame to keep users waiting for a fully
> functioning analysis tool when there is a committed bug fix.
>
>  Kind regards,
> Erik
>
>
>    Erik Marklund, PhD
> Postdoctoral Research Fellow, Fulford JRF
>
>  Department of Chemistry
> Physical & Theoretical Chemistry Laboratory
> University of Oxford
> South Parks Road
> Oxford
> OX1 3QZ
>
>  On 10 Feb 2015, at 15:30, Magnus Lundborg <magnus.lundborg at scilifelab.se>
> wrote:
>
>  Hi,
>
> Sounds good. It would be nice to get my latest TNG version patch in there,
> but it's on master, so perhaps it's already planned.
>
> Cheers,
>
> Magnus
>
> On 02/10/2015 04:00 PM, Mark Abraham wrote:
>
> Hi,
>
>  Sorry for quietness on the management front, I've had a bunch of
> non-code tasks lately. We're a few weeks behind on my original timeline for
> 5.1-beta1. Various people had expressed hopes of putting code on gerrit,
> but few things have actually appeared, so I think we should pretty much
> regard the feature stuff on gerrit now as the maximum extent of 5.1.
> There's still a bunch of dead / experimental patches on gerrit that won't
> make the 5.1 cut, of course. Please speak up super-fast if that's a problem
> - you should have had code in gerrit a month and more ago!
>
>  So I plan to roll 5.1-beta1 from master HEAD on Friday, and branch
> release-5-1 and Jenkins infrastructure at that time. Per my original
> suggestion, release-5-1 will be open for "feature"-type content for a few
> weeks while we deal with remaining code review of things currently on
> master. Once we release 5.1-rc1 (perhaps after another beta if appropriate)
> then features are frozen. The gerrit cherry-pick feature should be good for
> people to make clear that they are proposing a "feature" patch for
> release-5-1.
>
>  I'd like to see a couple more of the new Sphinx-based docs commits at
> https://gerrit.gromacs.org/#/q/status:open+project:gromacs+branch:master+topic:docs
> get merged, so that we can invite users to give feedback or contribute docs.
>
>  It would be great for our colleagues at StreamComputing if we get their
> OpenCL work out to the world in the first beta; I know Berk has given some
> feedback but is basically OK with the commit. Szilard has a few outstanding
> questions we can probably resolve quickly. I have a reservation about
> whether using more than one Nvidia GPU works, but since that is in any case
> not a useful configuration for performance, we can hack a temporary fatal
> error in front of that and ship something usable.
>
>  Szilard's CUDA work needs to get in, but the remaining issues there are
> minor, I think.
>
>  Berk's halo-decomposition is not yet clearly useful (right, Berk?) so
> perhaps we will leave that on the shelf for now.
>
>  Erik's SIMD support patches need one more reviewer. It would be nice to
> be able to say to hardware devs that we already have preliminary support in
> released code when early-phase testing is on the cards.
>
>  Happy hacking!
>
>  Mark
>
>
>
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