Quarterly planning meeting - 21st May - at 13:00 CET

Developers discussions
1

Hi,
Next quarterly planning meeting is 21st May, starting from 13:00 CET in hydrid format. We will have oral presentations (10 min max each) followed by discussion.

Aim: to provide an overview on the planned and future developement effort on GROMACS, to build synergy between developer interests and contributions and promote planning and coordination.

We welcome everybody that would like to contribute to fill in the title/topic in the agenda. Great if you could provide a topic for next Monday!

Agenda:

13:00-13:10

  • Welcome (Berk)

13:10-14:00 GPU acceleration and parallelization

  • Paul Bauer - HIP feature integration (remote only)
  • Paul Bauer - SD integrator (remote only)
  • Alan Gray - NVIDIA activities
  • Open Spot
  • Discussion

14:00-14:50 MD module and interface

  • M. Umair Sadiq - FMM-related development
  • Open Spot
  • Open Spot
  • Open Spot
  • Discussion

break 14:50-15:20

15:20-16:00 Other Features (file formats, simulation features, etc.)

  • Petter Johansson - H5md trajectory format
  • Berk Hess, Golui - User tabulated non-bonded interactions
  • Open Spot
  • Discussion

16:00-16:20 Community and documentation

  • Open Spot
  • Discussion

16:20-17:00 Open Question and Final remarks

  • Open questions from March Planning meeting
  • Closing Remarks

PS: to be able to edit the current wiki post, you need to member of the forum and send a request to join the GROMACS developers group using the following link

2

Kind remind that planning meeting will be this Wednesday at 13:00 CEST. Please fill up the agenda in the above post with your topic.

The meeting will be hybrid. Here the zoom link for those that will be online
Zoom link: Launch Meeting - Zoom

Kind regards
Alessandra

3

Welcome to the planning meeting Wednesday at 13:00 CEST.
The meeting will be hybrid. Here the zoom link for those that will be online
Zoom link: Launch Meeting - Zoom

For agenda and minutes see