Task 1624819557

Name	RosettaVS_SAVE_ALL_OUT_NOJRAN_M2_real_specificity_fulldb_IGNORE_THE_REST_BwiIOn_3_6150_3022817_3_1
Workunit	1445435101
Created	16 Dec 2025, 15:07:41 UTC
Sent	16 Dec 2025, 15:07:43 UTC
Report deadline	19 Dec 2025, 15:07:43 UTC
Received	17 Dec 2025, 0:54:51 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	6330215
Run time	7 hours 58 min 13 sec
CPU time	7 hours 23 min
Validate state	Valid
Credit	680.76
Device peak FLOPS	6.88 GFLOPS
Application version	Rosetta Beta v6.06 x86_64-apple-darwin
Peak working set size	1,088.46 MB
Peak swap size	35,825.16 MB
Peak disk usage	25.49 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_real_specificity_fulldb_BwiIOn_3_6150.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=[22053851716095513198592.000000,-12394360010210696757248.000000,-3239413312709764055040.000000], B=[22053851716095513198592.000000,-12394360010210696757248.000000,-3239413312709764055040.000000].
 ------------------------ Begin developer's backtrace ------------------------- 
BACKTRACE:
0   rosetta_beta_6.06_x86_64-apple-darw 0x0000000105781ec7 backtrace_string(int) + 87
1   rosetta_beta_6.06_x86_64-apple-darw 0x0000000105795a1d 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 0x0000000105372037 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 0x0000000104cc18cf core::scoring::lkball::LKB_ResidueInfo::build_waters(core::conformation::Residue const&, bool) + 895
4   rosetta_beta_6.06_x86_64-apple-darw 0x0000000104cc11ae core::scoring::lkball::LKB_ResidueInfo::LKB_ResidueInfo(core::conformation::Residue const&, bool) + 270
5   rosetta_beta_6.06_x86_64-apple-darw 0x0000000102373b53 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 0x00000001023627c9 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 0x0000000103b76642 core::optimization::ArmijoLineMinimization::Armijo(double, core::optimization::func_1d&) + 130
8   rosetta_beta_6.06_x86_64-apple-darw 0x0000000103b7635e 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 0x0000000103b7f0b9 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 0x0000000103b7a02f core::optimization::Minimizer::run(utility::vector1<double, std::__1::allocator<double>>&) + 6975
11  rosetta_beta_6.06_x86_64-apple-darw 0x000000010234144c 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 0x00000001023a0c1f 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 0x0000000102399315 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 0x000000010238f32e protocols::ligand_docking::ga_ligand_dock::GALigandDock::apply(core::pose::Pose&) + 14846
15  rosetta_beta_6.06_x86_64-apple-darw 0x0000000103980fd8 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 0x000000010397962f protocols::rosetta_scripts::ParsedProtocol::apply(core::pose::Pose&) + 1935
17  rosetta_beta_6.06_x86_64-apple-darw 0x000000010386622c 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 0x0000000103863572 protocols::jd2::JobDistributor::go_main(std::__1::shared_ptr<protocols::moves::Mover>) + 194
19  rosetta_beta_6.06_x86_64-apple-darw 0x000000010385e612 protocols::jd2::FileSystemJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 66
20  rosetta_beta_6.06_x86_64-apple-darw 0x00000001038540e6 protocols::jd2::BOINCJobDistributor::go(std::__1::shared_ptr<protocols::moves::Mover>) + 246
21  rosetta_beta_6.06_x86_64-apple-darw 0x0000000100da2254 main + 22020
22  dyld                                0x00000002095d4530 start + 3056
 ------------------------- End developer's backtrace -------------------------- 
======================================================
DONE ::    10 starting structures  26580.9 cpu seconds
This process generated     10 decoys from      10 attempts
======================================================
BOINC :: WS_max 1.11023e+09

BOINC :: Watchdog shutting down...
18:59:16 (6115): called boinc_finish(0)

</stderr_txt>
]]>