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Bug #3292

task assignment report missing GPU update

Added by Szilárd Páll about 1 year ago. Updated 11 months ago.

Status:
Closed
Priority:
Normal
Assignee:
-
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
simple
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Description

The note on update-constraints being assigned to the GPU is in an entirely different place than the rest of the task assignment outputs and it is not present on the terminal output either; i.e. in a run that explicitly requests -update gpu:

On the log and the terminal we have:

1 GPU selected for this run.
Mapping of GPU IDs to the 1 GPU task in the 1 rank on this node:
  PP:0
PP tasks will do (non-perturbed) short-ranged interactions on the GPU

And somewhere further down (only in the log):

Updating coordinates and applying constraints on the GPU.

md.log (23 KB) md.log Szilárd Páll, 01/10/2020 05:18 PM

Associated revisions

Revision 8cdc802c (diff)
Added by Artem Zhmurov about 1 year ago

Report if update is running on the GPU or on the CPU

This adds a line which states where update is offloaded next
to the rest of the GPU usage information.

Fixes #3292.

Change-Id: Ie6b076c4309c7695ab9b46037ced92e95dea1558

Revision d16c555b (diff)
Added by Artem Zhmurov 11 months ago

Update the message on whether update and constraints are offloaded

Update and constraints are done in PP task, which is now indicated
in the printed message.

Refs #3292

Change-Id: Id3ad64c424cca6ab5e678a90db767a1c3d43b014

History

#1 Updated by Szilárd Páll about 1 year ago

#2 Updated by Artem Zhmurov about 1 year ago

  • Status changed from New to Resolved

#3 Updated by Szilárd Páll about 1 year ago

  • Status changed from Resolved to Feedback wanted

I think improvements to the documentation are still necessary. As noted on gerrit:

documentation only refers to "PP task" and "PME task" so it is now inconsistent in that it neither tells the user that there is a new "GPU task" that has to be mapped with the "-gputask" option nor does it document that this new task is part of the PP task and it is mapped with the respective identifier in the "-gputasks" specifier.
As we have not added a separate designator for the "update-constraints" tasks, we either need to add one (i.e. something like "PP:0,PME:0,UPDATE:0") or document that this is part of the PP task and print it consistently.

#4 Updated by Erik Lindahl 11 months ago

Although Artem might already have a fix, remember that we also have a clear policy we should ONLY patch actual bugs in the release series, never cosmetics or features.

Each change we put in release-2020 is something that also has to be pulled into the master branch, and in practice that ends up adding to Paul's task list.

#5 Updated by Artem Zhmurov 11 months ago

The fix was merged on Jan 13th (https://gerrit.gromacs.org/#/c/gromacs/+/15282/). I think the message was not exactly clear with respect to what we call tasks (see Szilard comment above). Shall we bump this to the next version or shall I update the message as Szilard suggested?

#6 Updated by Paul Bauer 11 months ago

If you could update the message it would be great

#7 Updated by Artem Zhmurov 11 months ago

Paul Bauer wrote:

If you could update the message it would be great

Done: https://gerrit.gromacs.org/#/c/gromacs/+/16145/

#8 Updated by Paul Bauer 11 months ago

  • Status changed from Feedback wanted to Resolved

resolving this now

#9 Updated by Paul Bauer 11 months ago

  • Status changed from Resolved to Closed

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