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Revisions №61313

branch: master 「№61313」
Commited by: Rocco Moretti
GitHub commit link: 「a94262c3892228e2」 「№4774」
Difference from previous tested commit:  code diff
Commit date: 2020-06-11 16:06:16
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 alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.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 mac.clang.static.build.release build.xcode beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.ubsan integration.valgrind integration maintenance.documentation performance profile release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release release.source scientific.FlexPepDock scientific.antibody_grafting.debug scientific.antibody_grafting scientific.ddg_ala_scan scientific.docking.debug scientific.enzyme_design scientific.ligand_docking scientific.ligand_scoring_ranking.debug scientific.loop_modeling_ccd_12res scientific.loop_modeling_kic_12res.debug scientific.loop_modeling_ngk_12res scientific.mhc_epitope_energy.debug scientific.protein_data_bank_diagnostic.full scientific.relax_cartesian.debug scientific.rna_denovo_favorites.debug scientific.sewing.debug scientific.simple_cycpep_predict.debug 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 #4774 from RosettaCommons/roccomoretti/sf_weighted_sum Don't spend time multiplying by zero with linmem_ig. Performance analysis of a fixbb run of 1qys with the -linmem_ig flag indicates we were spending ~20% of the time doing EMapVector::dot() calls to multiply the edge scores by the weights. Given that most of the weights are typically zero, we can improve runtime by only multiplying through by the nonzero terms. This requires us to pre-calculate and store the non-zero terms for the ScoreFunction, but that turns out to be relatively straightforward. This PR adds a ScoreFunction::weighted_sum() method, which does the dot product between an EMap and the weights of the ScoreFunction, but only iterates over the non-zero terms. I then use that for the "hot" function in the OnTheFlyInteractionGraph.

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