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Revisions №61120

branch: master 「№61120」
Commited by: Vikram K. Mulligan
GitHub commit link: 「b7d5f79c34f3f657」 「№4462」
Difference from previous tested commit:  code diff
Commit date: 2020-01-30 13:49:29
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 mac.PyRosetta.unit build.clean.debug cppcheck alpine.gcc.build.debug gcc-9.gcc.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug mpi mpi.serialization linux.icc.build.debug OpenCL mac.clang.python36.build.debug build.header build.levels build.ninja_debug graphics static linux.ui mac.ui build.xcode beautification code_quality.clang_analysis code_quality.clang_tidy serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration.ubsan integration maintenance.documentation performance profile release.PyRosetta4.MinSizeRel release.PyRosetta4.Release release.PyRosetta4.conda.Release release.source scientific.FlexPepDock scientific.ddg_ala_scan.debug scientific.ddg_ala_scan scientific.dock_glycans.debug scientific.mhc_epitope_energy.debug scientific.mp_dock.debug scientific.mp_domain_assembly.debug scientific.mp_f19_decoy_discrimination.debug scientific.mp_lipid_acc.debug scientific.mp_lipid_acc scientific.mp_relax.debug scientific.mp_symdock.debug scientific.relax_fast_5iter scientific.rna_denovo_favorites.debug scientific.rna_denovo_favorites scientific.sewing.debug scientific.stepwise_rna_favorites linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release unit.ubsan gcc-9.gcc.unit util.apps

Merge pull request #4462 from RosettaCommons/vmullig/multithreaded_scoring_incremental_merge3 Incremental merge 3 for multithreaded scoring The multithreaded scoring branch identified a major thread-safety issue with the hydrogen bonding code, in which data that were needed down a long series of function calls were cached in mutable storage in the energy method, then accessed down the chain. This is fundamentally non-threadsafe: if different threads are trying to score different parts of the pose at the same time, one could overwrite the data that the other cached. The proper solution is simply to pass these data down the chain of function calls. Unfortunately, due to the complexity of the etable template classes, this means modifying a _lot_ of functions. I've done the work for this, now, and want to make it a separate pull request to ensure that it only improves performance and has no effect on accuracy. Note that I've tried to do this in a way that involves a subclassed container class, so that we can add additional data in the future if we so wish _without_ having to refactor all of these dozens of template functions, simply by adding new subclasses of the container class. Note also that this might fix rare thread safety issues with multithreaded packing, so it benefits multi-threading even before we enable multithreaded scoring. - [x] Pull request #4460 must be merged before this one.

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