{
"compared_with_test": {
"full_name": "linux.gcc.mpi.serialization.integration.mpi",
"name": "integration.mpi",
"platform": {
"compiler": "gcc",
"extras": [
"mpi",
"serialization"
],
"os": "linux"
},
"platform_as_string": "linux.gcc.mpi.serialization",
"revision": {
"branch": "master",
"revision_id": 61963
},
"state": "failed",
"test_id": 783858
},
"summary": {
"failed": 1,
"failed_tests": [
"replica_docking"
],
"total": 27
},
"tests": {
"backbonegridsampler_nstruct_mode": {
"log": "",
"state": "passed"
},
"database_md5": {
"log": "",
"state": "passed"
},
"features_pdb_mpi": {
"log": "",
"state": "passed"
},
"helical_bundle_predict": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_psipred": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_psipred_with_helix_globals": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_sequence": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_skipping_residues": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_4level": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_computing_pnear_to_all": {
"log": "",
"state": "passed"
},
"recon_design_mpi": {
"log": "",
"state": "passed"
},
"replica_docking": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61963/replica_docking/dock.xml and /home/benchmark/working_dir/master:61964/replica_docking/dock.xml differ\r\nFiles /home/benchmark/working_dir/master:61963/replica_docking/log and /home/benchmark/working_dir/master:61964/replica_docking/log differ\r\nFiles /home/benchmark/working_dir/master:61963/replica_docking/logs/log_0 and /home/benchmark/working_dir/master:61964/replica_docking/logs/log_0 differ\r\nFiles /home/benchmark/working_dir/master:61963/replica_docking/logs/log_1 and /home/benchmark/working_dir/master:61964/replica_docking/logs/log_1 differ\r\nFiles /home/benchmark/working_dir/master:61963/replica_docking/logs/log_2 and /home/benchmark/working_dir/master:61964/replica_docking/logs/log_2 differ\r\nFiles /home/benchmark/working_dir/master:61963/replica_docking/logs/log_3 and /home/benchmark/working_dir/master:61964/replica_docking/logs/log_3 differ\r\nFiles /home/benchmark/working_dir/master:61963/replica_docking/.test_got_timeout_kill.log and /home/benchmark/working_dir/master:61964/replica_docking/.test_got_timeout_kill.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61963/replica_docking/dock.xml /home/benchmark/working_dir/master:61964/replica_docking/dock.xml\r\n28c28\r\n< <HamiltonianExchange name=\"h_exchange\" temp_file=\"hamiltonians_cen.txt\" temp_stride=\"1000\" stats_file=\"tempering.stats\"/>\r\n---\r\n> <HamiltonianExchange name=\"h_exchange\" temp_file=\"hamiltonians_cen.txt\" temp_stride=\"10\" stats_file=\"tempering.stats\"/> <!--stride normally 1000 -->\r\n31c31\r\n< <SilentTrajectoryRecorder name=\"traj\" score_stride=\"1\" stride=\"1000\" cumulate_replicas=\"1\" />\r\n---\r\n> <SilentTrajectoryRecorder name=\"traj\" score_stride=\"1\" stride=\"20\" cumulate_replicas=\"1\" /> <!--stride normally 1000 -->\r\n33c33\r\n< <MetropolisHastings name=\"sampler\" trials=\"1000\" scorefxn=\"score_dock_low\" > <!--trial number normally use 10000000 for productive simulation-->\r\n---\r\n> <MetropolisHastings name=\"sampler\" trials=\"100\" scorefxn=\"score_dock_low\" > <!--trial number normally use 10000000 for productive simulation-->\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61963/replica_docking/log /home/benchmark/working_dir/master:61964/replica_docking/log\r\n2c2\r\n< mpirun noticed that process rank 5 with PID 23027 on node nobu-1 exited on signal 9 (Killed).\r\n---\r\n> mpirun noticed that process rank 5 with PID 13575 on node takeshi exited on signal 9 (Killed).\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61963/replica_docking/logs/log_0 /home/benchmark/working_dir/master:61964/replica_docking/logs/log_0\r\n1,72d0\r\n< core.init: (0) Rosetta version: 2022.45.post.dev+31.HEAD.de16a55 de16a55b0dc5944b8d51a811599e5006760f4f88 git@github.com:CyrusBiotechnology/rosetta-main.git 2022-11-15T10:18:37\r\n< core.init: (0) command: ROSETTA/source/bin/rosetta_scripts.mpiserialization.linuxgccrelease_debug -in:path:database_cache_dir ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug @flags_replica_dock -database ROSETTA/database -testing:INTEGRATION_TEST\r\n< basic.random.init_random_generator: (0) Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111\r\n< basic.random.init_random_generator: (0) RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937\r\n< protocols.jd2.PDBJobInputter: (0) Instantiate PDBJobInputter\r\n< protocols.jd2.PDBJobInputter: (0) PDBJobInputter::fill_jobs\r\n< protocols.jd2.PDBJobInputter: (0) pushed P.pdb nstruct indices 1 - 4\r\n< core.chemical.GlobalResidueTypeSet: (0) Finished initializing fa_standard residue type set. Created 985 residue types\r\n< core.chemical.GlobalResidueTypeSet: (0) Total time to initialize 6.87 seconds.\r\n< core.import_pose.import_pose: (0) File 'native.pdb' automatically determined to be of type PDB\r\n< core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: CE on residue LYS 31\r\n< core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: NZ on residue LYS 31\r\n< core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: OXT on residue HIS:CtermProteinFull 166\r\n< core.conformation.Conformation: (0) [ WARNING ] missing heavyatom: OXT on residue ARG:CtermProteinFull 253\r\n< core.pack.pack_missing_sidechains: (0) packing residue number 31 because of missing atom number 8 atom name CE \r\n< core.pack.task: (0) Packer task: initialize from command line() \r\n< core.scoring.ScoreFunctionFactory: (0) SCOREFUNCTION: ref2015\r\n< core.scoring.etable: (0) Starting energy table calculation\r\n< core.scoring.etable: (0) smooth_etable: changing atr/rep split to bottom of energy well\r\n< core.scoring.etable: (0) smooth_etable: spline smoothing lj etables (maxdis = 6)\r\n< core.scoring.etable: (0) smooth_etable: spline smoothing solvation etables (max_dis = 6)\r\n< core.scoring.etable: (0) Finished calculating energy tables.\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/rama/fd/all.ramaProb\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\r\n< core.scoring.P_AA: (0) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\r\n< basic.io.database: (0) Database file opened: scoring/score_functions/elec_cp_reps.dat\r\n< core.scoring.elec.util: (0) Read 40 countpair representative atoms\r\n< core.pack.dunbrack.RotamerLibrary: (0) shapovalov_lib_fixes_enable option is true.\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading Dunbrack Libraries\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/cys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ile.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/lys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/leu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/met.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/pro.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/arg.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ser.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/thr.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/val.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (0) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbind.chi2.Definitions.lib\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61963/replica_docking/logs/log_1 /home/benchmark/working_dir/master:61964/replica_docking/logs/log_1\r\n1,72d0\r\n< core.init: (1) Rosetta version: 2022.45.post.dev+31.HEAD.de16a55 de16a55b0dc5944b8d51a811599e5006760f4f88 git@github.com:CyrusBiotechnology/rosetta-main.git 2022-11-15T10:18:37\r\n< core.init: (1) command: ROSETTA/source/bin/rosetta_scripts.mpiserialization.linuxgccrelease_debug -in:path:database_cache_dir ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug @flags_replica_dock -database ROSETTA/database -testing:INTEGRATION_TEST\r\n< basic.random.init_random_generator: (1) Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111112\r\n< basic.random.init_random_generator: (1) RandomGenerator:init: Normal mode, seed=1111112 RG_type=mt19937\r\n< protocols.jd2.PDBJobInputter: (1) Instantiate PDBJobInputter\r\n< protocols.jd2.PDBJobInputter: (1) PDBJobInputter::fill_jobs\r\n< protocols.jd2.PDBJobInputter: (1) pushed P.pdb nstruct indices 1 - 4\r\n< core.chemical.GlobalResidueTypeSet: (1) Finished initializing fa_standard residue type set. Created 985 residue types\r\n< core.chemical.GlobalResidueTypeSet: (1) Total time to initialize 6.9 seconds.\r\n< core.import_pose.import_pose: (1) File 'native.pdb' automatically determined to be of type PDB\r\n< core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: CE on residue LYS 31\r\n< core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: NZ on residue LYS 31\r\n< core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: OXT on residue HIS:CtermProteinFull 166\r\n< core.conformation.Conformation: (1) [ WARNING ] missing heavyatom: OXT on residue ARG:CtermProteinFull 253\r\n< core.pack.pack_missing_sidechains: (1) packing residue number 31 because of missing atom number 8 atom name CE \r\n< core.pack.task: (1) Packer task: initialize from command line() \r\n< core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: ref2015\r\n< core.scoring.etable: (1) Starting energy table calculation\r\n< core.scoring.etable: (1) smooth_etable: changing atr/rep split to bottom of energy well\r\n< core.scoring.etable: (1) smooth_etable: spline smoothing lj etables (maxdis = 6)\r\n< core.scoring.etable: (1) smooth_etable: spline smoothing solvation etables (max_dis = 6)\r\n< core.scoring.etable: (1) Finished calculating energy tables.\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/rama/fd/all.ramaProb\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\r\n< core.scoring.P_AA: (1) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\r\n< basic.io.database: (1) Database file opened: scoring/score_functions/elec_cp_reps.dat\r\n< core.scoring.elec.util: (1) Read 40 countpair representative atoms\r\n< core.pack.dunbrack.RotamerLibrary: (1) shapovalov_lib_fixes_enable option is true.\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading Dunbrack Libraries\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/cys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ile.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/lys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/leu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/met.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/pro.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/arg.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ser.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/thr.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/val.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (1) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbind.chi2.Definitions.lib\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61963/replica_docking/logs/log_2 /home/benchmark/working_dir/master:61964/replica_docking/logs/log_2\r\n1c1\r\n< core.init: (2) Rosetta version: 2022.45.post.dev+31.HEAD.de16a55 de16a55b0dc5944b8d51a811599e5006760f4f88 git@github.com:CyrusBiotechnology/rosetta-main.git 2022-11-15T10:18:37\r\n---\r\n> core.init: (2) Rosetta version: 2022.45.post.dev+40.HEAD.f0c6fca f0c6fca0e2fae27020abfa11ca7804caf65edd38 git@github.com:CyrusBiotechnology/rosetta-main.git 2022-11-16T11:41:29\r\n9c9\r\n< core.chemical.GlobalResidueTypeSet: (2) Total time to initialize 6.87 seconds.\r\n---\r\n> core.chemical.GlobalResidueTypeSet: (2) Total time to initialize 8.1 seconds.\r\n41,97c41,44\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading Dunbrack Libraries\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/cys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ile.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/lys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/leu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/met.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/pro.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/arg.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ser.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/thr.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/val.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/tyr.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/tyr.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/tyr.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (2) Finished reading Dunbrack Libraries\r\n< core.pack.dunbrack.RotamerLibrary: (2) Dunbrack 2010 library took 151.15 seconds to load from ASCII\r\n< core.pack.dunbrack.RotamerLibrary: (2) Memory usage: \r\n< core.pack.dunbrack.RotamerLibrary: (2) CYS with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) ILE with 842400 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) LYS with 8335520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) LEU with 842400 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) MET with 2803920 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) PRO with 209320 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) ARG with 8563824 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) SER with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) THR with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) VAL with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) ASP with 10393520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) GLU with 31361400 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) PHE with 10393520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) HIS with 11326928 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) ASN with 11326928 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) GLN with 34161624 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) TRP with 11326928 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) TYR with 10393520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (2) Total memory on Dunbrack Libraries: 153284952 bytes.\r\n---\r\n> core.pack.dunbrack.RotamerLibrary: (2) shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated.\r\n> core.pack.dunbrack.RotamerLibrary: (2) Binary rotamer library selected: ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin\r\n> core.pack.dunbrack.RotamerLibrary: (2) Using Dunbrack library binary file 'ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'.\r\n> core.pack.dunbrack.RotamerLibrary: (2) Dunbrack 2010 library took 0.66 seconds to load from binary\r\n166c113\r\n< \t\t<HamiltonianExchange name=\"h_exchange\" stats_file=\"tempering.stats\" temp_file=\"hamiltonians_cen.txt\" temp_stride=\"1000\"/>\r\n---\r\n> \t\t<HamiltonianExchange name=\"h_exchange\" stats_file=\"tempering.stats\" temp_file=\"hamiltonians_cen.txt\" temp_stride=\"10\"/>\r\n169c116\r\n< \t\t<SilentTrajectoryRecorder cumulate_replicas=\"1\" name=\"traj\" score_stride=\"1\" stride=\"1000\"/>\r\n---\r\n> \t\t<SilentTrajectoryRecorder cumulate_replicas=\"1\" name=\"traj\" score_stride=\"1\" stride=\"20\"/>\r\n171c118\r\n< \t\t<MetropolisHastings name=\"sampler\" scorefxn=\"score_dock_low\" trials=\"1000\">\r\n---\r\n> \t\t<MetropolisHastings name=\"sampler\" scorefxn=\"score_dock_low\" trials=\"100\">\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61963/replica_docking/logs/log_3 /home/benchmark/working_dir/master:61964/replica_docking/logs/log_3\r\n1c1\r\n< core.init: (3) Rosetta version: 2022.45.post.dev+31.HEAD.de16a55 de16a55b0dc5944b8d51a811599e5006760f4f88 git@github.com:CyrusBiotechnology/rosetta-main.git 2022-11-15T10:18:37\r\n---\r\n> core.init: (3) Rosetta version: 2022.45.post.dev+40.HEAD.f0c6fca f0c6fca0e2fae27020abfa11ca7804caf65edd38 git@github.com:CyrusBiotechnology/rosetta-main.git 2022-11-16T11:41:29\r\n9c9\r\n< core.chemical.GlobalResidueTypeSet: (3) Total time to initialize 6.89 seconds.\r\n---\r\n> core.chemical.GlobalResidueTypeSet: (3) Total time to initialize 8.06 seconds.\r\n41,97c41,44\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading Dunbrack Libraries\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/cys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ile.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/lys.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/leu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/met.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/pro.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/arg.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/ser.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/thr.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/val.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asp.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/glu.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/phe.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/his.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/asn.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/gln.bbind.chi3.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/trp.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/tyr.bbdep.rotamers.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/tyr.bbdep.densities.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Reading ROSETTA/database/rotamer/shapovalov/StpDwn_0-0-0/tyr.bbind.chi2.Definitions.lib\r\n< core.pack.dunbrack.RotamerLibrary: (3) Finished reading Dunbrack Libraries\r\n< core.pack.dunbrack.RotamerLibrary: (3) Dunbrack 2010 library took 152.44 seconds to load from ASCII\r\n< core.pack.dunbrack.RotamerLibrary: (3) Memory usage: \r\n< core.pack.dunbrack.RotamerLibrary: (3) CYS with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) ILE with 842400 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) LYS with 8335520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) LEU with 842400 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) MET with 2803920 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) PRO with 209320 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) ARG with 8563824 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) SER with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) THR with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) VAL with 250800 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) ASP with 10393520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) GLU with 31361400 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) PHE with 10393520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) HIS with 11326928 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) ASN with 11326928 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) GLN with 34161624 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) TRP with 11326928 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) TYR with 10393520 bytes\r\n< core.pack.dunbrack.RotamerLibrary: (3) Total memory on Dunbrack Libraries: 153284952 bytes.\r\n---\r\n> core.pack.dunbrack.RotamerLibrary: (3) shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated.\r\n> core.pack.dunbrack.RotamerLibrary: (3) Binary rotamer library selected: ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin\r\n> core.pack.dunbrack.RotamerLibrary: (3) Using Dunbrack library binary file 'ROSETTA/.database-binaries/mpiserialization.linuxgccrelease_debug/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'.\r\n> core.pack.dunbrack.RotamerLibrary: (3) Dunbrack 2010 library took 0.77 seconds to load from binary\r\n166c113\r\n< \t\t<HamiltonianExchange name=\"h_exchange\" stats_file=\"tempering.stats\" temp_file=\"hamiltonians_cen.txt\" temp_stride=\"1000\"/>\r\n---\r\n> \t\t<HamiltonianExchange name=\"h_exchange\" stats_file=\"tempering.stats\" temp_file=\"hamiltonians_cen.txt\" temp_stride=\"10\"/>\r\n169c116\r\n< \t\t<SilentTrajectoryRecorder cumulate_replicas=\"1\" name=\"traj\" score_stride=\"1\" stride=\"1000\"/>\r\n---\r\n> \t\t<SilentTrajectoryRecorder cumulate_replicas=\"1\" name=\"traj\" score_stride=\"1\" stride=\"20\"/>\r\n171c118\r\n< \t\t<MetropolisHastings name=\"sampler\" scorefxn=\"score_dock_low\" trials=\"1000\">\r\n---\r\n> \t\t<MetropolisHastings name=\"sampler\" scorefxn=\"score_dock_low\" trials=\"100\">\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61963/replica_docking/.test_got_timeout_kill.log /home/benchmark/working_dir/master:61964/replica_docking/.test_got_timeout_kill.log\r\n1c1\r\n< *** Test replica_docking exceeded the timeout=3600 and will be killed! [2022-11-15 18:06:57.661177]\r\n---\r\n> *** Test replica_docking exceeded the timeout=3600 and will be killed! [2022-11-16 19:43:31.475493]\r\n\nCompare(...): Marking as \"Script failed\" due to presense of .test_did_not_run.log or .test_got_timeout_kill.log file!\n",
"state": "script failed"
},
"simple_cycpep_predict_beta_thioether_lariat": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_bondangle_bondlength": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_cterm_isopeptide_lariat": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_cterm_isopeptide_lariat_tailless": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_design": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_nterm_isopeptide_lariat": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_nterm_isopeptide_lariat_tailless": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_sidechain_isopeptide": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_sidechain_isopeptide_reverse": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_terminal_disulfide": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_terminal_disulfide_tails": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_terminal_disulfide_tails_2": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_thioether_lariat": {
"log": "",
"state": "passed"
},
"threefold_symm_peptide_design": {
"log": "",
"state": "passed"
}
}
}