Task 1604829192

Name	RosettaVS_SAVE_ALL_OUT_NOJRAN_M2_substructure_real_fulldb_IGNORE_THE_REST_zb230H_3_11925_3011194_3_0
Workunit	1427358921
Created	10 Mar 2025, 6:59:43 UTC
Sent	10 Mar 2025, 7:36:11 UTC
Report deadline	13 Mar 2025, 7:36:11 UTC
Received	11 Mar 2025, 13:23:42 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	3765758
Run time	13 hours 8 min 44 sec
CPU time	7 hours 10 min 40 sec
Validate state	Valid
Credit	370.76
Device peak FLOPS	4.61 GFLOPS
Application version	Rosetta Beta v6.06 x86_64-apple-darwin
Peak working set size	939.26 MB
Peak swap size	35,298.20 MB
Peak disk usage	24.83 MB
Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
command: rosetta_beta_6.06_x86_64-apple-darwin @M2_substructure_real_fulldb_zb230H_3_11925.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.

[ 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=[630177486006556295168.000000,865625278629725601792.000000,-28985926223532785664.000000], B=[630177486006556295168.000000,865625278629725601792.000000,-28985926223532785664.000000].
 ------------------------ Begin developer's backtrace ------------------------- 
BACKTRACE:
0   rosetta_beta_6.06_x86_64-apple-darw 0x0000000105674ec7 backtrace_string(int) + 87
1   rosetta_beta_6.06_x86_64-apple-darw 0x0000000105688a1d 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 0x0000000105265037 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 0x0000000104bb48cf core::scoring::lkball::LKB_ResidueInfo::build_waters(core::conformation::Residue const&, bool) + 895
4   rosetta_beta_6.06_x86_64-apple-darw 0x0000000104bb41ae core::scoring::lkball::LKB_ResidueInfo::LKB_ResidueInfo(core::conformation::Residue const&, bool) + 270
5   rosetta_beta_6.06_x86_64-apple-darw 0x0000000102266b53 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 0x00000001022557c9 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 0x0000000103a69642 core::optimization::ArmijoLineMinimization::Armijo(double, core::optimization::func_1d&) + 130
8   rosetta_beta_6.06_x86_64-apple-darw 0x0000000103a6935e 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 0x0000000103a720b9 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 0x0000000103a6d02f core::optimization::Minimizer::run(utility::vector1<double, std::__1::allocator<double>>&) + 6975
11  rosetta_beta_6.06_x86_64-apple-darw 0x000000010223444c protocols::ligand_docking::ga_ligand_dock::LigandAligner::apply(protocols::ligand_docking::ga_ligand_dock::LigandConformer&) + 5308
12  rosetta_beta_6.06_x86_64-apple-darw 0x0000000102293c1f protocols::ligand_docking::ga_ligand_dock::GALigandDock::generate_perturbed_structures(protocols::ligand_docking::ga_ligand_dock::LigandConformer const&, std::__1::shared_ptr<protocols::ligand_docking::ga_ligand_dock::GridScorer>, unsigned long, protocols::ligand_docking::ga_ligand_dock::LigandAligner) const + 4799
13  rosetta_beta_6.06_x86_64-apple-darw 0x000000010228c315 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&) + 357
14  rosetta_beta_6.06_x86_64-apple-darw 0x000000010228232e protocols::ligand_docking::ga_ligand_dock::GALigandDock::apply(core::pose::Pose&) + 14846
15  rosetta_beta_6.06_x86_64-apple-darw 0x0000000103873fd8 protocols::rosetta_scripts::ParsedProtocol::apply_mover(core::pose::Pose&, protocols::rosetta_scripts::ParsedProtocol::ParsedProtocolStep const&) + 1224
16  rosetta_beta_6.06_x86_64-apple-darw 0x000000010386c62f protocols::rosetta_scripts::ParsedProtocol::apply(core::pose::Pose&) + 1935
17  rosetta_beta_6.06_x86_64-apple-darw 0x000000010375922c 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
18  rosetta_beta_6.06_x86_64-apple-darw 0x0000000103756572 protocols::jd2::JobDistributor::go_main(std::__1::shared_ptr<protocols::moves::Mover>) + 194
19  rosetta_beta_6.06_x86_64-apple-darw 0x0000000103751612 protocols::jd2::FileSystemJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 66
20  rosetta_beta_6.06_x86_64-apple-darw 0x00000001037470e6 protocols::jd2::BOINCJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 246
21  rosetta_beta_6.06_x86_64-apple-darw 0x0000000100c95254 main + 22020
22  dyld                                0x000000020949c2cd start + 1805
 ------------------------- End developer's backtrace -------------------------- 
======================================================
DONE ::     4 starting structures  25840.5 cpu seconds
This process generated      4 decoys from       4 attempts
======================================================
BOINC :: WS_max 3.75513e+08

BOINC :: Watchdog shutting down...
21:26:18 (48074): called boinc_finish(0)

</stderr_txt>
]]>