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Bug #3292

task assignment report missing GPU update

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

Status:
Feedback wanted
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 month 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

History

#1 Updated by Szilárd Páll about 1 month ago

#2 Updated by Artem Zhmurov about 1 month ago

  • Status changed from New to Resolved

#3 Updated by Szilárd Páll about 1 month 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.

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