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Bug #3163

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

Feature #2888: CUDA Update and Constraints module

gpuupdate / task assignment stabilization

Added by Szilárd Páll 29 days ago. Updated 2 days ago.

Status:
New
Priority:
High
Assignee:
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

The GPU update flag and frontend infrastructure left some code and inconsistencies that need to be resolved (in rough order of priority):
  • the update task assignment needs to:
    • consider all cases when it should not be enabled (e.g. assertion on buffer ops, vsites, etc.)
    • consider dependencies like buffer ops (and enable these probably during SimulationWorkload init)
    • consider how to treat partial command line specification, e.g. gmx mdrun -update gpu; should this trigger the regular code-path (with bondeds not offloaded?)
  • despite having an -update mdrun flag we still have references to the GMX_UPDATE_CONSTRAIN_GPU env var

Associated revisions

Revision d74a2fea (diff)
Added by Artem Zhmurov 27 days ago

Add environment variable that changes the meaning of '-update auto'

This change creates 'GMX_FORCE_UPDATE_DEFAULT_GPU', that changes the
default behavior of '-update' option to 'gpu'. Also changed the
gpuupdate Jenkins trigger to set this environment variable.

Refs. #3163.

Change-Id: I4463de3266d97c5f91bac65d3d997cf564e6e880

History

#1 Updated by Szilárd Páll 29 days ago

PS: this is a bocker for beta2 and we need action on it ASAP. We also need to make sure the regressiontests and unit tests all work correctly in all cases with -update gpu.

Who can work on this?

#3 Updated by Szilárd Páll 26 days ago

  • Description updated (diff)
  • Assignee set to Artem Zhmurov

#4 Updated by Szilárd Páll 26 days ago

  • Description updated (diff)

#5 Updated by Szilárd Páll 26 days ago

  • Description updated (diff)

#6 Updated by Szilárd Páll 26 days ago

  • Description updated (diff)

#7 Updated by Szilárd Páll 26 days ago

  • Description updated (diff)

#8 Updated by Szilárd Páll 26 days ago

  • Parent task set to #2888

#9 Updated by Szilárd Páll 16 days ago

  • Target version changed from 2020-beta2 to 2020-beta3

We have worked around the urgent need for this, so we will re-assess the defaults for beta3/rc. Bumping.

#10 Updated by Szilárd Páll 2 days ago

Needs an update.

#11 Updated by Szilárd Páll 2 days ago

  • Description updated (diff)

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