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Task #1373

Add missing nbnxn tests

Added by Roland Schulz almost 6 years ago. Updated over 5 years ago.

Status:
New
Priority:
Low
Assignee:
Category:
testing
Target version:
-
Difficulty:
uncategorized
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Description

We probably don't want/need to test all kernels, but we probably want to test each kernel option (e.g. ewald/rf/tab, geom/lb/none) once. comb_none isn't tested. Others might be missing too.

History

#1 Updated by Mark Abraham almost 6 years ago

Ja, I have had some stuff suitable for unit-style tests for these kinds of combinations for a few months. Will try to get them working again this week, now that the release-4-6 stuff has made its way up.

#2 Updated by Mark Abraham almost 6 years ago

Some stuff uploaded in https://gerrit.gromacs.org/#/c/2489/, but would need to be expanded to treat all the kernels.

#3 Updated by Erik Lindahl over 5 years ago

  • Priority changed from Normal to Low

It might be worth considering bug 1370 here. While it appeared completely safe to add a CMake option to auto-download all regression tests this is now causing problems for Gentoo, due to timeouts on ARM.

For now, I would strong vote NOT to add more unit tests that are complete MD simulation, primarily because they simply aren't unit tests. If things are to go in the unit tests, the should only test a single force evaluation to make sure the functional form is correct.

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