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Revisions №254

branch: release 「№254」
Commited by: Rocco Moretti
GitHub commit link: 「f98ad046ef76418f」 「№4656」
Difference from previous tested commit:  code diff
Commit date: 2020-05-06 14:59:29

Merge pull request #4656 from RosettaCommons/roccomoretti/dunbrack_precision Adjust Dunbrack library generation to address test server issues. It looks like a fair part of the integration test instability on the test server may be due to differences in the Dunbrack rotamer library binary on different machines. (Potentially due to release/debug differences.) A substantial portion of the difference in release/debug mode binary file generation is due to truncating the spline-fit derivatives to single precision. Changing that to double precision greatly reduces the numeric difference between debug-mode and release-mode generated Dunbrack binaries (at least on my machine). To further prevent differences in compilation mode from altering integration test trajectories, the way the Dunbrack binaries are stored on the test server was altered, such that each compilation mode gets its own Dunbrack binary. Both of these changes should hopefully greatly reduce the spurious integration test diffs we've been seeing on the test server. The Dunbrack binary version has been increased to accommodate for the change in precision. This will result in regenerating the Dunbrack binary.

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