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Task #2793

update performance checklist

Added by Szilárd Páll 6 months ago. Updated about 1 month ago.

Status:
Closed
Priority:
Normal
Category:
documentation
Target version:
Difficulty:
uncategorized
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Description

Include notes on:
  • building with AVX512 is often more performance loss than benefit
  • bonded offload

Associated revisions

Revision ed94ccdf (diff)
Added by Szilárd Páll 3 months ago

Extend performance considerations on bonded offload

Refs #2793

Change-Id: I4a8ae8554cf2aad540eb4eb485898f8cabeb3966

Revision 1d583444 (diff)
Added by Szilárd Páll about 1 month ago

Add user guide note on AVX512 throttle in GPU runs

Refs #2793

Change-Id: I161f5b92a8a34989ecc1d49410033f9ea8f91164

History

#1 Updated by Paul Bauer 5 months ago

Isn't this a duplicate of #2656?

#2 Updated by Szilárd Páll 5 months ago

Paul Bauer wrote:

Isn't this a duplicate of #2656?

Duplicate or subtask, can be seen either way :)

#3 Updated by Paul Bauer 5 months ago

  • Target version changed from 2019 to 2019.1

#4 Updated by Paul Bauer 3 months ago

  • Target version changed from 2019.1 to 2019.2

bumping to next point release

#5 Updated by Gerrit Code Review Bot 3 months ago

Gerrit received a related patchset '1' for Issue #2793.
Uploader: Szilárd Páll ()
Change-Id: gromacs~release-2019~I4a8ae8554cf2aad540eb4eb485898f8cabeb3966
Gerrit URL: https://gerrit.gromacs.org/9156

#6 Updated by Gerrit Code Review Bot 3 months ago

Gerrit received a related patchset '1' for Issue #2793.
Uploader: Paul Bauer ()
Change-Id: gromacs~master~I4a8ae8554cf2aad540eb4eb485898f8cabeb3966
Gerrit URL: https://gerrit.gromacs.org/9157

#7 Updated by Paul Bauer about 2 months ago

@Szilard is this considered to be done now?

#8 Updated by Szilárd Páll about 1 month ago

Paul Bauer wrote:

@Szilard is this considered to be done now?

Almost, I will add a sentence or two in time for the release about the use-case identified here:
https://gerrit.gromacs.org/c/gromacs/+/9157/1/docs/user-guide/mdrun-performance.rst#205

#9 Updated by Szilárd Páll about 1 month ago

  • Status changed from New to Resolved

#10 Updated by Mark Abraham about 1 month ago

Szilárd Páll wrote:

Include notes on:
  • building with AVX512 is often more performance loss than benefit
  • bonded offload

The latter is already addressed, ie.

#) Offloading bonded work to a GPU will often not improve simulation performance
   as efficient CPU-based kernels can complete the bonded computation
   before the GPU is done with other offloaded work. Therefore,
   `gmx mdrun` will default to no bonded offload when PME is offloaded.
   Typical cases where performance can be improvement with bonded offload are:
   with significant bonded work (e.g. pure lipid or mostly polymer systems with little solvent),
   with very few and/or slow CPU cores per GPU, or when the CPU does
   other computation (e.g. PME, free energy).

#11 Updated by Mark Abraham about 1 month ago

  • Status changed from Resolved to Closed

#12 Updated by Szilárd Páll about 1 month ago

Mark Abraham wrote:

Szilárd Páll wrote:

Include notes on:
  • building with AVX512 is often more performance loss than benefit
  • bonded offload

The latter is already addressed, ie.

[...]

Yes, I did that a few weeks ago.

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