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Bug #3025

PME test failure after changing test system coordinates

Added by Paul Bauer 5 months ago. Updated 4 months ago.

Status:
Closed
Priority:
High
Assignee:
-
Category:
core library
Affected version - extra info:
Affected version:
Difficulty:
hard
Close

Description

After changing the coordinates in https://gerrit.gromacs.org/c/gromacs/+/10643 by adding 3 to all values, the PME unit tests fail with slight differences to the (new) reference energy values on some test configurations.
Example are found here http://jenkins.gromacs.org/job/Matrix_OnDemand/745/

I have no idea what is happening there, but this is blocking the merge of 2019 into master.

History

#1 Updated by Mark Abraham 4 months ago

  • Status changed from New to Blocked, need info

Paul I recall this has been addressed?

#2 Updated by Mark Abraham 4 months ago

  • Status changed from Blocked, need info to Resolved

Paul reports this is resolved

#3 Updated by Mark Abraham 4 months ago

  • Status changed from Resolved to Closed

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