Name | RosettaVS_SAVE_ALL_OUT_NOJRAN_SETDB1_6BHE_fulldb_IGNORE_THE_REST_ucyRgD_0_3987_2980824_2_0 |
Workunit | 1409430911 |
Created | 1 Oct 2024, 21:20:32 UTC |
Sent | 1 Oct 2024, 21:56:53 UTC |
Report deadline | 4 Oct 2024, 21:56:53 UTC |
Received | 2 Oct 2024, 5:46:09 UTC |
Server state | Over |
Outcome | Success |
Client state | Done |
Exit status | 0 (0x00000000) |
Computer ID | 2356687 |
Run time | 6 hours 34 min 59 sec |
CPU time | 6 hours 33 min 43 sec |
Validate state | Valid |
Credit | 429.89 |
Device peak FLOPS | 5.59 GFLOPS |
Application version | Rosetta Beta v6.06 x86_64-apple-darwin |
Peak working set size | 1,832.66 MB |
Peak swap size | 36,465.86 MB |
Peak disk usage | 25.04 MB |
<core_client_version>7.24.2</core_client_version> <![CDATA[ <stderr_txt> command: rosetta_beta_6.06_x86_64-apple-darwin @SETDB1_6BHE_fulldb_ucyRgD_0_3987.flags -nstruct 10000 -cpu_run_time 28800 -boinc:max_nstruct 20000 -checkpoint_interval 120 -mute all -database minirosetta_database -in::file::zip minirosetta_database.zip -boinc::watchdog -boinc::cpu_run_timeout 36000 -run::rng mt19937 Using database: database_f5ae1de8e1/database Starting watchdog... Watchdog active. Starting watchdog... Watchdog active. [ ERROR ]: Caught exception: File: src/core/kinematics/Stub.cc:106 Error in Stub::from_four_points(): File: src/numeric/xyzVector.hh:654 Cannot create normalized xyzVector from vector of length() zero. Error occurred when trying to normalize the vector between points A and B. A=[-67111034926276168.000000,-23502142324747948.000000,19268628732652648.000000], B=[-67111034926276168.000000,-23502142324747948.000000,19268628732652648.000000]. ------------------------ Begin developer's backtrace ------------------------- BACKTRACE: 0 rosetta_beta_6.06_x86_64-apple-darw 0x0000000108e32ec7 backtrace_string(int) + 87 1 rosetta_beta_6.06_x86_64-apple-darw 0x0000000108e46a1d utility::excn::Exception::Exception(char const*, int, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char>> const&) + 205 2 rosetta_beta_6.06_x86_64-apple-darw 0x0000000108a23037 core::kinematics::Stub::from_four_points(numeric::xyzVector<double> const&, numeric::xyzVector<double> const&, numeric::xyzVector<double> const&, numeric::xyzVector<double> const&) + 2071 3 rosetta_beta_6.06_x86_64-apple-darw 0x00000001083728cf core::scoring::lkball::LKB_ResidueInfo::build_waters(core::conformation::Residue const&, bool) + 895 4 rosetta_beta_6.06_x86_64-apple-darw 0x00000001083721ae core::scoring::lkball::LKB_ResidueInfo::LKB_ResidueInfo(core::conformation::Residue const&, bool) + 270 5 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a24b53 std::__1::shared_ptr<core::scoring::lkball::LKB_ResidueInfo> std::__1::shared_ptr<core::scoring::lkball::LKB_ResidueInfo>::make_shared<core::conformation::Residue const&>(core::conformation::Residue const&) + 83 6 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a137c9 protocols::ligand_docking::ga_ligand_dock::GridScorer::score(core::pose::Pose&, protocols::ligand_docking::ga_ligand_dock::LigandConformer const&, bool) + 777 7 rosetta_beta_6.06_x86_64-apple-darw 0x0000000107227642 core::optimization::ArmijoLineMinimization::Armijo(double, core::optimization::func_1d&) + 130 8 rosetta_beta_6.06_x86_64-apple-darw 0x000000010722735e core::optimization::ArmijoLineMinimization::operator()(utility::vector1<double, std::__1::allocator<double>>&, utility::vector1<double, std::__1::allocator<double>>&) + 494 9 rosetta_beta_6.06_x86_64-apple-darw 0x00000001072300b9 core::optimization::Minimizer::lbfgs(utility::vector1<double, std::__1::allocator<double>>&, double&, core::optimization::ConvergenceTest&, std::__1::shared_ptr<core::optimization::LineMinimizationAlgorithm>, int, bool) const + 3177 10 rosetta_beta_6.06_x86_64-apple-darw 0x000000010722b02f core::optimization::Minimizer::run(utility::vector1<double, std::__1::allocator<double>>&) + 6975 11 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a2252c protocols::ligand_docking::ga_ligand_dock::GridScorer::minimizer_loop(protocols::ligand_docking::ga_ligand_dock::LigandConformer&, core::optimization::MinimizerOptions const&) + 1884 12 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a1f770 protocols::ligand_docking::ga_ligand_dock::GridScorer::optimize(protocols::ligand_docking::ga_ligand_dock::LigandConformer&, utility::vector1<double, std::__1::allocator<double>>, utility::vector1<utility::vector1<protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer, std::__1::allocator<protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer>>, std::__1::allocator<utility::vector1<protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer, std::__1::allocator<protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer>>>>&, protocols::ligand_docking::ga_ligand_dock::RotamerPairEnergies&) + 752 13 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a2c4b4 protocols::ligand_docking::ga_ligand_dock::GAOptimizer::optimize_generation(utility::vector1<protocols::ligand_docking::ga_ligand_dock::LigandConformer, std::__1::allocator<protocols::ligand_docking::ga_ligand_dock::LigandConformer>>&, utility::vector1<double, std::__1::allocator<double>> const&) + 356 14 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a25e52 protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run(utility::vector1<protocols::ligand_docking::ga_ligand_dock::LigandConformer, std::__1::allocator<protocols::ligand_docking::ga_ligand_dock::LigandConformer>>&) + 2850 15 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a4a47b protocols::ligand_docking::ga_ligand_dock::GALigandDock::run_docking(protocols::ligand_docking::ga_ligand_dock::LigandConformer const&, std::__1::shared_ptr<protocols::ligand_docking::ga_ligand_dock::GridScorer>, protocols::ligand_docking::ga_ligand_dock::LigandAligner&, protocols::ligand_docking::ga_ligand_dock::OutputStructureStore&) + 715 16 rosetta_beta_6.06_x86_64-apple-darw 0x0000000105a4032e protocols::ligand_docking::ga_ligand_dock::GALigandDock::apply(core::pose::Pose&) + 14846 17 rosetta_beta_6.06_x86_64-apple-darw 0x0000000107031fd8 protocols::rosetta_scripts::ParsedProtocol::apply_mover(core::pose::Pose&, protocols::rosetta_scripts::ParsedProtocol::ParsedProtocolStep const&) + 1224 18 rosetta_beta_6.06_x86_64-apple-darw 0x000000010702a62f protocols::rosetta_scripts::ParsedProtocol::apply(core::pose::Pose&) + 1935 19 rosetta_beta_6.06_x86_64-apple-darw 0x0000000106f1722c protocols::jd2::JobDistributor::run_one_job(std::__1::shared_ptr<protocols::moves::Mover>&, long, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char>>&, std::__1::basic_string<char, std::__1::char_traits<char>, std::__1::allocator<char>>&, unsigned long&, unsigned long&, bool) + 8204 20 rosetta_beta_6.06_x86_64-apple-darw 0x0000000106f14572 protocols::jd2::JobDistributor::go_main(std::__1::shared_ptr<protocols::moves::Mover>) + 194 21 rosetta_beta_6.06_x86_64-apple-darw 0x0000000106f0f612 protocols::jd2::FileSystemJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 66 22 rosetta_beta_6.06_x86_64-apple-darw 0x0000000106f050e6 protocols::jd2::BOINCJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 246 23 rosetta_beta_6.06_x86_64-apple-darw 0x0000000104453254 main + 22020 24 dyld 0x000000020ce71345 start + 1909 ------------------------- End developer's backtrace -------------------------- Starting watchdog... Watchdog active. ====================================================== DONE :: 4 starting structures 23623.7 cpu seconds This process generated 4 decoys from 4 attempts ====================================================== BOINC :: WS_max 1.74961e+09 BOINC :: Watchdog shutting down... 06:45:25 (48459): called boinc_finish(0) </stderr_txt> ]]>
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