[gmx-developers] first 2019 GROMACS developer telco

Mark Abraham mark.j.abraham at gmail.com
Wed Jan 2 17:52:08 CET 2019


Brief minutes:

Mark - Thanks to all for work over the 2019 phase! Particularly to Paul for
release management, and Berk and Szilard for sorting out some of the
lingering GPU issues

Mark - The release schedule for 2020 will roughly similar to 2019 - feature
freeze and beta some time around September. Do have a look at your
conflicting demands, and start planning now ;-) We'll publish a formal
timeline shortly.

Erik - people need to remember that everyone needs to pitch in for multiple
tasks, not just implementing their functionality. Paul and Mark don't only
exist to do your dirty work ;-)

Paul - continuing to work on cool stuff for trajectory transforms and
exposing them in the api; also replace symtab with map of string as a
transition to not having the symtab

Kevin - found some minor stuff to clean up, focusing on thesis from here

Artem - new LINCS tests more or less in shape, but some box error to chase
down in single-rank case for Alan's GPU LINCS code

Michael - integrator action needed (with a view to trying to renew project
funding later this year), mentioned a newly funded project around for
trying to do async multi-sim runs, perhaps involving GROMACS and/or with
the new API

Szilard - looking into resolving lingering 2019 issues, and considering how
best to grapple with do_force and multi-gpu-per-rank possibilities

Discussion included the observation that we have to also simplify our code
- features that aren't tested or for which nobody has enthusiasm should
disappear. In some cases, we should be removing things so that we can
improve our velocity for getting to other strategic targets. Old code still
runs for those who have the need...


On Wed, Jan 2, 2019 at 2:44 PM Mark Abraham <mark.j.abraham at gmail.com>

> Hi gmx developers!
> We all hope you had a great holiday season, and are looking forward to
> getting stuck back into development work, now that the 2019 release is
> live! There's many familiar and a few new directions afoot for GROMACS and
> its ecosystem, and we'll be looking to coordinate our efforts to make as
> much progress as possible on common interests now, well before we approach
> the time when we'll want to do the final integration of functionality for
> our 2020 release.
> To kick that off, our first fortnightly developer roundtable telco is on
> again shortly 1700 Stockholm time (CET). Please find connection details
> below. There's a PIN required, which is the four-digit room number in
> reverse order.
> The new implementation of Pexip now permits URLs to link straight to the
> virtual room 9301, and the link for us is
> https://vconf.kth.se/webapp/conference/vroom_9301@vconf.kth.se
> Mark
> To connect to the virtual room, use one of the following methods:
> Method Address
> Web browser https://vconf.kth.se/webapp/conference/vroom_9301@vconf.kth.se
> SIP vroom_9301 at vconf.kth.se
> IP and choose room 9301
> Telephone + 46 8 790 6421 <08-790%2064%2021> and choose room 9301
> More information and help can be found here:
> https://intra.kth.se/it/kth-videoconferencing
> Guide from Pexip can be found here:
> https://docs.pexip.com/admin/connect_quick.htm
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