Task 1624800060

Name	RosettaVS_SAVE_ALL_OUT_NOJRAN_M2_real_specificity_fulldb_IGNORE_THE_REST_BwiIOn_10_4263_3022815_1_1
Workunit	1445295332
Created	15 Dec 2025, 21:21:21 UTC
Sent	15 Dec 2025, 21:21:22 UTC
Report deadline	18 Dec 2025, 21:21:22 UTC
Received	16 Dec 2025, 7:15:13 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	5747694
Run time	7 hours 52 min 29 sec
CPU time	7 hours 50 min 45 sec
Validate state	Valid
Credit	457.55
Device peak FLOPS	5.99 GFLOPS
Application version	Rosetta Beta v6.06 x86_64-apple-darwin
Peak working set size	1,270.44 MB
Peak swap size	35,978.15 MB
Peak disk usage	25.04 MB
Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
command: rosetta_beta_6.06_x86_64-apple-darwin @M2_real_specificity_fulldb_BwiIOn_10_4263.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=[-1807958627051190007889920.000000,1359899390073587588136960.000000,-541071696826955947048960.000000], B=[-1807958627051190007889920.000000,1359899390073587588136960.000000,-541071696826955947048960.000000].
 ------------------------ Begin developer's backtrace ------------------------- 
BACKTRACE:
0   rosetta_beta_6.06_x86_64-apple-darw 0x000000010c46bec7 backtrace_string(int) + 87
1   rosetta_beta_6.06_x86_64-apple-darw 0x000000010c47fa1d 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 0x000000010c05c037 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 0x000000010b9ab8cf core::scoring::lkball::LKB_ResidueInfo::build_waters(core::conformation::Residue const&, bool) + 895
4   rosetta_beta_6.06_x86_64-apple-darw 0x000000010b9ab1ae core::scoring::lkball::LKB_ResidueInfo::LKB_ResidueInfo(core::conformation::Residue const&, bool) + 270
5   rosetta_beta_6.06_x86_64-apple-darw 0x000000010905db53 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 0x000000010904c7c9 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 0x000000010a860642 core::optimization::ArmijoLineMinimization::Armijo(double, core::optimization::func_1d&) + 130
8   rosetta_beta_6.06_x86_64-apple-darw 0x000000010a86035e 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 0x000000010a8690b9 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 0x000000010a86402f core::optimization::Minimizer::run(utility::vector1<double, std::__1::allocator<double>>&) + 6975
11  rosetta_beta_6.06_x86_64-apple-darw 0x000000010902b44c 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 0x000000010908ac1f 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 0x0000000109083315 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 0x000000010907932e protocols::ligand_docking::ga_ligand_dock::GALigandDock::apply(core::pose::Pose&) + 14846
15  rosetta_beta_6.06_x86_64-apple-darw 0x000000010a66afd8 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 0x000000010a66362f protocols::rosetta_scripts::ParsedProtocol::apply(core::pose::Pose&) + 1935
17  rosetta_beta_6.06_x86_64-apple-darw 0x000000010a55022c 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 0x000000010a54d572 protocols::jd2::JobDistributor::go_main(std::__1::shared_ptr<protocols::moves::Mover>) + 194
19  rosetta_beta_6.06_x86_64-apple-darw 0x000000010a548612 protocols::jd2::FileSystemJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 66
20  rosetta_beta_6.06_x86_64-apple-darw 0x000000010a53e0e6 protocols::jd2::BOINCJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 246
21  rosetta_beta_6.06_x86_64-apple-darw 0x0000000107a8c254 main + 22020
22  dyld                                0x00007ff80b8e8530 start + 3056
 ------------------------- End developer's backtrace -------------------------- 
======================================================
DONE ::     6 starting structures  28244.9 cpu seconds
This process generated      6 decoys from       6 attempts
======================================================
BOINC :: WS_max 1.30763e+09

BOINC :: Watchdog shutting down...
01:14:44 (67323): called boinc_finish(0)

</stderr_txt>
]]>