Project

General

Profile

Task #3170

Feature #2816: GPU offload / optimization for update&constraits, buffer ops and multi-gpu communication

Feature #2817: GPU X/F buffer ops

Feature #3029: GPU force buffer ops + reduction

investigate GPU f buffer ops use cases

Added by Szilárd Páll 29 days ago. Updated 29 days ago.

Status:
New
Priority:
Low
Assignee:
-
Category:
mdrun
Target version:
Difficulty:
uncategorized
Close

Description

Check if there is any performance benefits to be had and in which regimes for x / f buffer opts without GPU update in:
  • runs with DD and CPU update
    • x buffer ops: offloadable with a likely simple crossover heuristic threshold; i.e. below N atoms/core not offloaded (locals or also nonlocals, with/without CPU work?)
    • f buffer ops: heuristics likely more complex criteria (as it is combined with reductions)
  • runs with / without DD and vsites
    • with GPU update requires D2H and H2D -- is it worth it, test use-cases (e.g. multiple ranks per GPU, both ensemble and DD runs, transfers might be overlapped)
    • without GPU update: same applies as above non-vistes runs just wait on D2H needs to be earlier

Related issues

Related to GROMACS - Task #3171: schedule CPU H2D force contribution in separate streamNew

History

#1 Updated by Szilárd Páll 29 days ago

  • Subject changed from investigate GPU f buffer ops + vsites use case to investigate GPU f buffer ops use cases
  • Description updated (diff)

#2 Updated by Szilárd Páll 29 days ago

  • Parent task set to #3029

#3 Updated by Szilárd Páll 5 days ago

  • Related to Task #3171: schedule CPU H2D force contribution in separate stream added

Also available in: Atom PDF