[gmx-developers] Thread-level Parallelism Call

[Schulz, Roland]

Hi,

Sorry to anyone who tried to join and had difficulties.

Summary:
Requirements:
- library (extendable)
- affinity / control individual threads
- task (change cores over time)
- license
- minimum synchronization needed

Possible options with open questions:
TBB
  - what is the required size for being efficient?
  - microbenchmark results?
  - if we cannot estimate it implement for simplest possible case in GROMACS

Own (working name STS)
   - go through code and check for openmp features used and estimate time to implement (some including atomics could be removed)
   - feedback from anyone who has time to look at it

OpenMP possible if hotteams is available widely enough

Other TODOs: quantify possible improvement to justify to ourselves that the effort is worth it

Timeline:
Another call in 3 weeks to decide on framework. This allows us to start implementing and see potential problems. Of course if those are significant enough we might be forced to reevaluate the decision.

If anyone has anything they want to find out before deciding and can't do that in 3 weeks you should let us know as soon as possible.

Anyone please feel free to correct or add.

Roland



-----Original Appointment-----
From: Schulz, Roland
Sent: Tuesday, February 16, 2016 8:20 AM
To: Schulz, Roland; gmx-developers at gromacs.org
Subject: Thread-level Parallelism Call
When: Tuesday, February 16, 2016 12:00 PM-1:00 PM (UTC-08:00) Pacific Time (US & Canada).
Where: Skype Meeting


Hi,

We have the thread-level parallelism call in 4 hours. Sorry for the late invite. You can either join by phone or with Lync through the link (not Linux).
If that doesn't work for someone please let John and me know.

Roland
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