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Task #3031

evaluate the impact of particle order on PME

Added by Szilárd Páll 13 days ago. Updated 8 days ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
mdrun
Target version:
Difficulty:
simple
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Description

The DD sorting does have an impact on PME performance, especially on GPUs. In current code this effect can be measured with single rank vs separate PME rank runs.
This impact should be evaluated across a range of input sizes (possibly densities?).


Related issues

Related to GROMACS - Feature #2054: PME on GPUAccepted

History

#1 Updated by Szilárd Páll 13 days ago

#2 Updated by Jonathan Vincent 13 days ago

What is the change/patch that implements DD sorting?

I should look at this as well.

#3 Updated by Szilárd Páll 8 days ago

Jonathan Vincent wrote:

What is the change/patch that implements DD sorting?

This is not a new feature, any multi-rank run will do that.

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