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Revisions №61856

branch: master 「№61856」
Commited by: Andrew Leaver-Fay
GitHub commit link: 「c8ac1099370341d2」 「№5909」
Difference from previous tested commit:  code diff
Commit date: 2022-03-21 16:54:47
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta4.notebook gcc-9.gcc.python37.PyRosetta4.unit linux.clang.cxx11thread.serialization.python37.PyRosetta4.unit linux.gcc.python36.PyRosetta4.unit m1.clang.python38.PyRosetta4.unit m1.clang.python39.PyRosetta4.unit mac.clang.python36.PyRosetta4.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.bcl.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug linux.gcc.bcl.build.debug mpi mpi.serialization linux.icc.build.debug mac.clang.bcl.build.debug OpenCL mac.clang.python36.build.debug ubuntu.clang.bcl.build.debug ubuntu.gcc.bcl.build.debug build.header build.levels build.ninja_debug graphics static mac.clang.static.build.release beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration performance profile release.PyRosetta.Debug release.PyRosetta.MinSizeRel release.PyRosetta.Release release.source scientific.FlexPepDock scientific.glycan_structure_prediction.debug scientific.peptide_pnear_vs_ic50.debug scientific.peptide_pnear_vs_ic50 scientific.sb_franklin2019_mpddg linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release mac.clang.unit.release gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit m1.clang.python39.unit util.apps windows.build.debug windows.build.release

Merge pull request #5909 from RosettaCommons/aleaverfay/fix_lr_bg_energy_accum_in_pack_daemon Fixing a bug in MSD background long-range energy calc; only affected multistate design runs. Previously, long range two body energies for pairs of background residues were not being accumulated into the background_energies_ which would lead to 1) inaccurate representation of total energies of the states that were being repacked and 2) a significant delta between those states and poses that were not being packed at all. This affected both the disulfide and rama_prepro terms.

Vikram K. Mulligan 2 years
Note: this merge seems to have introduced a submodule regression.
Andrew Leaver-Fay 2 years
I've spent all evening trying to figure this out, but as far as I can tell, the last time the rosetta_scripts_scripts submodule changed was with your commit 3 days ago, Vikram, which looks intentional. https://github.com/RosettaCommons/main/commit/6b86053d25f8a318b4752cea116bffdd08982ec5
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Test: linux.clang.code_quality.submodule_regression

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
helical_bundle_predict_psipred
Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
mpi_multistate_design
Test: linux.gcc.cxx11thread.mpi.serialization.scientific.peptide_pnear_vs_ic50.debug

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Test: linux.gcc.cxx11thread.mpi.serialization.scientific.peptide_pnear_vs_ic50

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