core.init: (0) Rosetta version: rosetta.source.release-171 r171 2018.09+release.333d9969977 333d99699777cd6a50d1c1736bacd689f8f1d1df https://www.rosettacommons.org 2018-02-27T20:08:15.525183 core.init: (0) command: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/bin/rosetta_scripts.mpi.linuxgccrelease @multistate_design.options -parser:protocol multistate_design.xml -out:suffix _test -scorefile test.fasc core.init: (0) 'RNG device' seed mode, using '/dev/urandom', seed=63741290 seed_offset=0 real_seed=63741290 core.init.random: (0) RandomGenerator:init: Normal mode, seed=63741290 RG_type=mt19937 core.init: (0) Resolved executable path: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/rosetta_scripts.mpi.linuxgccrelease core.init: (0) Looking for database based on location of executable: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/database/ protocols.jd2.PDBJobInputter: (0) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (0) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (0) pushed 4HKX_relax.pdb nstruct indices 1 - 10 protocols.jd2.PDBJobInputter: (0) pushed 3UBQ_relax.pdb nstruct indices 1 - 10 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (0) Evaluation Creator active ... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 1 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 1 to node 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 2 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 2 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 3 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 3 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 4 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... core.init: (1) Rosetta version: rosetta.source.release-171 r171 2018.09+release.333d9969977 333d99699777cd6a50d1c1736bacd689f8f1d1df https://www.rosettacommons.org 2018-02-27T20:08:15.525183 core.init: (1) command: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/bin/rosetta_scripts.mpi.linuxgccrelease @multistate_design.options -parser:protocol multistate_design.xml -out:suffix _test -scorefile test.fasc core.init: (1) 'RNG device' seed mode, using '/dev/urandom', seed=528397897 seed_offset=0 real_seed=63741291 core.init.random: (1) RandomGenerator:init: Normal mode, seed=63741291 RG_type=mt19937 core.init: (1) Resolved executable path: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/rosetta_scripts.mpi.linuxgccrelease core.init: (1) Looking for database based on location of executable: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/database/ protocols.jd2.PDBJobInputter: (1) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (1) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (1) pushed 4HKX_relax.pdb nstruct indices 1 - 10 protocols.jd2.PDBJobInputter: (1) pushed 3UBQ_relax.pdb nstruct indices 1 - 10 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (1) Evaluation Creator active ... protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Received job id 1 from master. protocols.jd2.PDBJobInputter: (1) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (1) filling pose from PDB 4HKX_relax.pdb core.init: (2) Rosetta version: rosetta.source.release-171 r171 2018.09+release.333d9969977 333d99699777cd6a50d1c1736bacd689f8f1d1df https://www.rosettacommons.org 2018-02-27T20:08:15.525183 core.init: (2) command: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/bin/rosetta_scripts.mpi.linuxgccrelease @multistate_design.options -parser:protocol multistate_design.xml -out:suffix _test -scorefile test.fasc core.init: (2) 'RNG device' seed mode, using '/dev/urandom', seed=1201793658 seed_offset=0 real_seed=63741292 core.init.random: (2) RandomGenerator:init: Normal mode, seed=63741292 RG_type=mt19937 core.init: (2) Resolved executable path: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/rosetta_scripts.mpi.linuxgccrelease core.init: (2) Looking for database based on location of executable: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/database/ protocols.jd2.PDBJobInputter: (2) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (2) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (2) pushed 4HKX_relax.pdb nstruct indices 1 - 10 protocols.jd2.PDBJobInputter: (2) pushed 3UBQ_relax.pdb nstruct indices 1 - 10 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (2) Evaluation Creator active ... protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 2 from master. protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from PDB 4HKX_relax.pdb core.init: (3) Rosetta version: rosetta.source.release-171 r171 2018.09+release.333d9969977 333d99699777cd6a50d1c1736bacd689f8f1d1df https://www.rosettacommons.org 2018-02-27T20:08:15.525183 core.init: (3) command: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/bin/rosetta_scripts.mpi.linuxgccrelease @multistate_design.options -parser:protocol multistate_design.xml -out:suffix _test -scorefile test.fasc core.init: (3) 'RNG device' seed mode, using '/dev/urandom', seed=-1281302448 seed_offset=0 real_seed=63741293 core.init.random: (3) RandomGenerator:init: Normal mode, seed=63741293 RG_type=mt19937 core.init: (3) Resolved executable path: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/source/build/src/release/linux/3.10/64/x86/gcc/4.8/mpi/rosetta_scripts.mpi.linuxgccrelease core.init: (3) Looking for database based on location of executable: /root/Rosetta/rosetta_src_2018.09.60072_bundle/main/database/ protocols.jd2.PDBJobInputter: (3) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (3) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (3) pushed 4HKX_relax.pdb nstruct indices 1 - 10 protocols.jd2.PDBJobInputter: (3) pushed 3UBQ_relax.pdb nstruct indices 1 - 10 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (3) Evaluation Creator active ... protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 3 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from PDB 4HKX_relax.pdb core.chemical.GlobalResidueTypeSet: (1) Finished initializing fa_standard residue type set. Created 603 residue types core.chemical.GlobalResidueTypeSet: (1) Total time to initialize 1.36 seconds. core.chemical.GlobalResidueTypeSet: (3) Finished initializing fa_standard residue type set. Created 603 residue types core.chemical.GlobalResidueTypeSet: (3) Total time to initialize 1.4 seconds. core.import_pose.import_pose: (1) File '4HKX_relax.pdb' automatically determined to be of type PDB core.import_pose.import_pose: (3) File '4HKX_relax.pdb' automatically determined to be of type PDB core.chemical.GlobalResidueTypeSet: (2) Finished initializing fa_standard residue type set. Created 603 residue types core.chemical.GlobalResidueTypeSet: (2) Total time to initialize 1.39 seconds. core.import_pose.import_pose: (2) File '4HKX_relax.pdb' automatically determined to be of type PDB core.conformation.Conformation: (2) Found disulfide between residues 22 96 core.conformation.Conformation: (2) current variant for 22 CYS core.conformation.Conformation: (2) current variant for 96 CYS core.conformation.Conformation: (2) current variant for 22 CYD core.conformation.Conformation: (2) current variant for 96 CYD core.conformation.Conformation: (2) Found disulfide between residues 148 203 core.conformation.Conformation: (2) current variant for 148 CYS core.conformation.Conformation: (2) current variant for 203 CYS core.conformation.Conformation: (2) current variant for 148 CYD core.conformation.Conformation: (2) current variant for 203 CYD core.conformation.Conformation: (2) Found disulfide between residues 232 244 core.conformation.Conformation: (2) current variant for 232 CYS core.conformation.Conformation: (2) current variant for 244 CYS core.conformation.Conformation: (2) current variant for 232 CYD core.conformation.Conformation: (2) current variant for 244 CYD core.conformation.Conformation: (2) Found disulfide between residues 267 312 core.conformation.Conformation: (2) current variant for 267 CYS core.conformation.Conformation: (2) current variant for 312 CYS core.conformation.Conformation: (3) Found disulfide between residues 22 96 core.conformation.Conformation: (3) current variant for 22 CYS core.conformation.Conformation: (3) current variant for 96 CYS core.conformation.Conformation: (2) current variant for 267 CYD core.conformation.Conformation: (2) current variant for 312 CYD core.conformation.Conformation: (3) current variant for 22 CYD core.conformation.Conformation: (3) current variant for 96 CYD core.conformation.Conformation: (3) Found disulfide between residues 148 203 core.conformation.Conformation: (3) current variant for 148 CYS core.conformation.Conformation: (3) current variant for 203 CYS core.conformation.Conformation: (3) current variant for 148 CYD core.conformation.Conformation: (3) current variant for 203 CYD core.conformation.Conformation: (3) Found disulfide between residues 232 244 core.conformation.Conformation: (3) current variant for 232 CYS core.conformation.Conformation: (3) current variant for 244 CYS core.conformation.Conformation: (1) Found disulfide between residues 22 96 core.conformation.Conformation: (1) current variant for 22 CYS core.conformation.Conformation: (1) current variant for 96 CYS core.conformation.Conformation: (3) current variant for 232 CYD core.conformation.Conformation: (3) current variant for 244 CYD core.conformation.Conformation: (3) Found disulfide between residues 267 312 core.conformation.Conformation: (3) current variant for 267 CYS core.conformation.Conformation: (3) current variant for 312 CYS core.conformation.Conformation: (3) current variant for 267 CYD core.conformation.Conformation: (3) current variant for 312 CYD protocols.rosetta_scripts.RosettaScriptsParser: (2) dock_design_filename=multistate_design.xml protocols.rosetta_scripts.RosettaScriptsParser: (2) Generating XML Schema for rosetta_scripts... core.conformation.Conformation: (1) current variant for 22 CYD core.conformation.Conformation: (1) current variant for 96 CYD core.conformation.Conformation: (1) Found disulfide between residues 148 203 core.conformation.Conformation: (1) current variant for 148 CYS core.conformation.Conformation: (1) current variant for 203 CYS core.conformation.Conformation: (1) current variant for 148 CYD core.conformation.Conformation: (1) current variant for 203 CYD core.conformation.Conformation: (1) Found disulfide between residues 232 244 core.conformation.Conformation: (1) current variant for 232 CYS core.conformation.Conformation: (1) current variant for 244 CYS core.conformation.Conformation: (1) current variant for 232 CYD core.conformation.Conformation: (1) current variant for 244 CYD core.conformation.Conformation: (1) Found disulfide between residues 267 312 core.conformation.Conformation: (1) current variant for 267 CYS core.conformation.Conformation: (1) current variant for 312 CYS core.conformation.Conformation: (1) current variant for 267 CYD core.conformation.Conformation: (1) current variant for 312 CYD protocols.rosetta_scripts.RosettaScriptsParser: (3) dock_design_filename=multistate_design.xml protocols.rosetta_scripts.RosettaScriptsParser: (3) Generating XML Schema for rosetta_scripts... protocols.rosetta_scripts.RosettaScriptsParser: (1) dock_design_filename=multistate_design.xml protocols.rosetta_scripts.RosettaScriptsParser: (1) Generating XML Schema for rosetta_scripts... protocols.rosetta_scripts.RosettaScriptsParser: (3) ...done protocols.rosetta_scripts.RosettaScriptsParser: (3) Initializing schema validator... protocols.rosetta_scripts.RosettaScriptsParser: (2) ...done protocols.rosetta_scripts.RosettaScriptsParser: (2) Initializing schema validator... protocols.rosetta_scripts.RosettaScriptsParser: (1) ...done protocols.rosetta_scripts.RosettaScriptsParser: (1) Initializing schema validator... protocols.rosetta_scripts.RosettaScriptsParser: (3) ...done protocols.rosetta_scripts.RosettaScriptsParser: (3) Validating input script... protocols.rosetta_scripts.RosettaScriptsParser: (3) ...done protocols.rosetta_scripts.RosettaScriptsParser: (3) Parsed script: core.scoring.ScoreFunctionFactory: (3) SCOREFUNCTION: ref2015 protocols.rosetta_scripts.RosettaScriptsParser: (2) ...done protocols.rosetta_scripts.RosettaScriptsParser: (2) Validating input script... protocols.rosetta_scripts.RosettaScriptsParser: (2) ...done protocols.rosetta_scripts.RosettaScriptsParser: (2) Parsed script: core.scoring.ScoreFunctionFactory: (2) SCOREFUNCTION: ref2015 core.scoring.etable: (3) Starting energy table calculation core.scoring.etable: (3) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (3) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (3) smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: (2) Starting energy table calculation core.scoring.etable: (2) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (2) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (2) smooth_etable: spline smoothing solvation etables (max_dis = 6) protocols.rosetta_scripts.RosettaScriptsParser: (1) ...done protocols.rosetta_scripts.RosettaScriptsParser: (1) Validating input script... protocols.rosetta_scripts.RosettaScriptsParser: (1) ...done protocols.rosetta_scripts.RosettaScriptsParser: (1) Parsed script: core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: ref2015 core.scoring.etable: (1) Starting energy table calculation core.scoring.etable: (1) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (1) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (1) smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: (2) Finished calculating energy tables. basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv basic.io.database: (2) Database file opened: scoring/score_functions/rama/fd/all.ramaProb core.scoring.etable: (3) Finished calculating energy tables. basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv basic.io.database: (3) Database file opened: scoring/score_functions/rama/fd/all.ramaProb core.scoring.etable: (1) Finished calculating energy tables. basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv basic.io.database: (1) Database file opened: scoring/score_functions/rama/fd/all.ramaProb basic.io.database: (3) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb basic.io.database: (2) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb basic.io.database: (1) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb basic.io.database: (3) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: (3) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: (3) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: (2) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: (2) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: (2) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: (2) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt basic.io.database: (3) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt basic.io.database: (3) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (3) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (2) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (2) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.P_AA: (2) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: (2) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop core.scoring.P_AA: (3) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: (3) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: (1) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.etable: (3) Starting energy table calculation core.scoring.P_AA: (1) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop core.scoring.etable: (2) Starting energy table calculation core.scoring.etable: (3) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (2) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (2) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (2) smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: (3) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (3) smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: (1) Starting energy table calculation core.scoring.etable: (1) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (1) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (1) smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: (3) Finished calculating energy tables. basic.io.database: (3) Database file opened: scoring/score_functions/PairEPotential/pdb_pair_stats_fine core.scoring.etable: (2) Finished calculating energy tables. basic.io.database: (2) Database file opened: scoring/score_functions/PairEPotential/pdb_pair_stats_fine basic.io.database: (3) Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt basic.io.database: (3) Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt core.scoring.ramachandran: (3) shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated. basic.io.database: (3) Database file opened: scoring/score_functions/rama/shapovalov/kappa25/all.ramaProb basic.io.database: (2) Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt basic.io.database: (2) Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt core.scoring.ramachandran: (2) shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated. basic.io.database: (2) Database file opened: scoring/score_functions/rama/shapovalov/kappa25/all.ramaProb core.scoring.etable: (1) Finished calculating energy tables. basic.io.database: (1) Database file opened: scoring/score_functions/PairEPotential/pdb_pair_stats_fine protocols.jd2.parser.ScoreFunctionLoader: (3) defined score function "talaris_cst" with weights "ref2015.wts" protocols.jd2.parser.ScoreFunctionLoader: (3) setting talaris_cst weight res_type_constraint to 1 protocols.jd2.parser.TaskOperationLoader: (3) Defined TaskOperation named "ifcl" of type InitializeFromCommandline core.pack.task.xml_util: (3) Object design reading the following task_operations: Adding the following task operations ifcl protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "design" of type PackRotamersMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd1" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd2" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd3" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd4" of type MSDMover core.scoring.ScoreFunctionFactory: (3) SCOREFUNCTION: ref2015 protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "finish" of type FindConsensusSequence protocols.analysis.InterfaceAnalyzerMover: (3) Fixed chains are: H, L, these will be moved together. protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "analyze" of type InterfaceAnalyzerMover protocols.rosetta_scripts.ParsedProtocol: (3) ParsedProtocol mover with the following movers and filters protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd1" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd2" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd3" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd4" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "finish" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "analyze" with filter "true_filter" protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0003 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0003 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 3 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 4 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0004 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0004 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 4 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 5 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0005 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0005 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 5 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 6 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0006 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0006 reported failure and will NOT reprotocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 3 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 3 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 4 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 5 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 4 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 4 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 5 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 6 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 5 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 5 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 6 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 7 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 6 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 6 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 7 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 8 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 7 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 7 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 8 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 9 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Mtry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 6 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 7 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0007 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0007 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 7 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 8 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0008 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0008 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 8 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 9 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag prprotocols.jd2.parser.ScoreFunctionLoader: (2) defined score function "talaris_cst" with weights "ref2015.wts" protocols.jd2.parser.ScoreFunctionLoader: (2) setting talaris_cst weight res_type_constraint to 1 protocols.jd2.parser.TaskOperationLoader: (2) Defined TaskOperation named "ifcl" of type InitializeFromCommandline core.pack.task.xml_util: (2) Object design reading the following task_operations: Adding the following task operations ifcl protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "design" of type PackRotamersMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd1" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd2" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd3" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd4" of type MSDMover core.scoring.ScoreFunctionFactory: (2) SCOREFUNCTION: ref2015 protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "finish" of type FindConsensusSequence protocols.analysis.InterfaceAnalyzerMover: (2) Fixed chains are: H, L, these will be moved together. protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "analyze" of type InterfaceAnalyzerMover protocols.rosetta_scripts.ParsedProtocol: (2) ParsedProtocol mover with the following movers and filters protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd1" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd2" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd3" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd4" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "finish" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "analyze" with filter "true_filter" protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (2) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (2) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0002 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] protocols.jd2.JobDistributor: (2) [ WARNING ] 4HKX_relax_test_0002 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (2) Job 2 failed! Slave process 2 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 11 from master. protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from PDB 3UBQ_relax.pdb basic.io.database: (1) Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt basic.io.database: (1) Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt core.scoring.ramachandran: (1) shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated. basic.io.database: (1) Database file opened: scoring/score_functions/rama/shapovalov/kappa25/all.ramaProb aster Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 8 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 8 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 9 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 10 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 9 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 9 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 10 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 11 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 2 from node 2. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 2 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 11 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 12 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 10 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 10 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 12 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 13 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... otocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0009 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0009 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 9 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 10 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 4HKX_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0010 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 4HKX_relax_test_0010 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 10 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 12 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from PDB 3UBQ_relax.pdb core.import_pose.import_pose: (2) File '3UBQ_relax.pdb' automatically determined to be of type PDB core.import_pose.import_pose: (3) File '3UBQ_relax.pdb' automatically determined to be of type PDB protocols.jd2.parser.ScoreFunctionLoader: (1) defined score function "talaris_cst" with weights "ref2015.wts" protocols.jd2.parser.ScoreFunctionLoader: (1) setting talaris_cst weight res_type_constraint to 1 protocols.jd2.parser.TaskOperationLoader: (1) Defined TaskOperation named "ifcl" of type InitializeFromCommandline core.pack.task.xml_util: (1) Object design reading the following task_operations: Adding the following task operations ifcl protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "design" of type PackRotamersMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd1" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd2" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd3" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd4" of type MSDMover core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: ref2015 protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "finish" of type FindConsensusSequence protocols.analysis.InterfaceAnalyzerMover: (1) Fixed chains are: H, L, these will be moved together. protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "analyze" of type InterfaceAnalyzerMover protocols.rosetta_scripts.ParsedProtocol: (1) ParsedProtocol mover with the following movers and filters protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd1" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd2" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd3" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd4" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "finish" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "analyze" with filter "true_filter" protocols.jd2.PDBJobInputter: (1) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (1) filling pose from saved copy 4HKX_relax.pdb protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 1 from node 1. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 1 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 13 to node 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 14 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.rosetta_scripts.ParsedProtocol: (1) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (1) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (1) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 4HKX_relax_test_0001 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (1) [ ERROR ] protocols.jd2.JobDistributor: (1) [ WARNING ] 4HKX_relax_test_0001 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (1) Job 1 failed! Slave process 1 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Received job id 13 from master. protocols.jd2.PDBJobInputter: (1) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (1) filling pose from PDB 3UBQ_relax.pdb core.import_pose.import_pose: (1) File '3UBQ_relax.pdb' automatically determined to be of type PDB core.conformation.Conformation: (2) Found disulfide between residues 22 96 core.conformation.Conformation: (2) current variant for 22 CYS core.conformation.Conformation: (2) current variant for 96 CYS core.conformation.Conformation: (2) current variant for 22 CYD core.conformation.Conformation: (2) current variant for 96 CYD core.conformation.Conformation: (2) Found disulfide between residues 148 203 core.conformation.Conformation: (2) current variant for 148 CYS core.conformation.Conformation: (2) current variant for 203 CYS core.conformation.Conformation: (2) current variant for 148 CYD core.conformation.Conformation: (2) current variant for 203 CYD core.conformation.Conformation: (2) Found disulfide between residues 232 244 core.conformation.Conformation: (2) current variant for 232 CYS core.conformation.Conformation: (2) current variant for 244 CYS core.conformation.Conformation: (2) current variant for 232 CYD core.conformation.Conformation: (2) current variant for 244 CYD core.conformation.Conformation: (3) Found disulfide between residues 22 96 core.conformation.Conformation: (3) current variant for 22 CYS core.conformation.Conformation: (3) current variant for 96 CYS core.conformation.Conformation: (3) current variant for 22 CYD core.conformation.Conformation: (3) current variant for 96 CYD core.conformation.Conformation: (1) Found disulfide between residues 22 96 core.conformation.Conformation: (1) current variant for 22 CYS core.conformation.Conformation: (1) current variant for 96 CYS core.conformation.Conformation: (2) Found disulfide between residues 267 313 core.conformation.Conformation: (2) current variant for 267 CYS core.conformation.Conformation: (2) current variant for 313 CYS core.conformation.Conformation: (2) current variant for 267 CYD core.conformation.Conformation: (2) current variant for 313 CYD core.conformation.Conformation: (1) current variant for 22 CYD core.conformation.Conformation: (1) current variant for 96 CYD core.conformation.Conformation: (1) Found disulfide between residues 148 203 core.conformation.Conformation: (1) current variant for 148 CYS core.conformation.Conformation: (1) current variant for 203 CYS core.conformation.Conformation: (1) current variant for 148 CYD core.conformation.Conformation: (1) current variant for 203 CYD core.conformation.Conformation: (1) Found disulfide between residues 232 244 core.conformation.Conformation: (1) current variant for 232 CYS core.conformation.Conformation: (1) current variant for 244 CYS core.conformation.Conformation: (1) current variant for 232 CYD core.conformation.Conformation: (1) current variant for 244 CYD core.conformation.Conformation: (3) Found disulfide between residues 148 203 core.conformation.Conformation: (3) current variant for 148 CYS core.conformation.Conformation: (3) current variant for 203 CYS core.conformation.Conformation: (3) current variant for 148 CYD core.conformation.Conformation: (3) current variant for 203 CYD core.conformation.Conformation: (3) Found disulfide between residues 232 244 core.conformation.Conformation: (3) current variant for 232 CYS core.conformation.Conformation: (3) current variant for 244 CYS core.conformation.Conformation: (3) current variant for 232 CYD core.conformation.Conformation: (3) current variant for 244 CYD core.conformation.Conformation: (3) Found disulfide between residues 267 313 core.conformation.Conformation: (3) current variant for 267 CYS core.conformation.Conformation: (3) current variant for 313 CYS core.conformation.Conformation: (3) current variant for 267 CYD core.conformation.Conformation: (3) current variant for 313 CYD protocols.rosetta_scripts.RosettaScriptsParser: (2) dock_design_filename=multistate_design.xml protocols.rosetta_scripts.RosettaScriptsParser: (2) Validating input script... protocols.rosetta_scripts.RosettaScriptsParser: (2) ...done protocols.rosetta_scripts.RosettaScriptsParser: (2) Parsed script: core.scoring.ScoreFunctionFactory: (2) SCOREFUNCTION: ref2015 protocols.jd2.parser.ScoreFunctionLoader: (2) defined score function "talaris_cst" with weights "ref2015.wts" protocols.jd2.parser.ScoreFunctionLoader: (2) setting talaris_cst weight res_type_constraint to 1 protocols.jd2.parser.TaskOperationLoader: (2) Defined TaskOperation named "ifcl" of type InitializeFromCommandline core.pack.task.xml_util: (2) Object design reading the following task_operations: Adding the following task operations ifcl protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "design" of type PackRotamersMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd1" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd2" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd3" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "msd4" of type MSDMover core.scoring.ScoreFunctionFactory: (2) SCOREFUNCTION: ref2015 protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "finish" of type FindConsensusSequence protocols.analysis.InterfaceAnalyzerMover: (2) Fixed chains are: H, L, these will be moved together. protocols.rosetta_scripts.RosettaScriptsParser: (2) Defined mover named "analyze" of type InterfaceAnalyzerMover protocols.rosetta_scripts.ParsedProtocol: (2) ParsedProtocol mover with the following movers and filters protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd1" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd2" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd3" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "msd4" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "finish" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (2) added mover "analyze" with filter "true_filter" protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb core.conformation.Conformation: (1) Found disulfide between residues 267 313 core.conformation.Conformation: (1) current variant for 267 CYS core.conformation.Conformation: (1) current variant for 313 CYS core.conformation.Conformation: (1) current variant for 267 CYD core.conformation.Conformation: (1) current variant for 313 CYD protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 11 from node 2. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 11 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 14 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 15 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.rosetta_scripts.ParsedProtocol: (2) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (2) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0001 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] protocols.jd2.JobDistributor: (2) [ WARNING ] 3UBQ_relax_test_0001 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (2) Job 11 failed! Slave process 2 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 14 from master. protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 14 from node 2. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 14 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 15 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 16 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.rosetta_scripts.ParsedProtocol: (2) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (2) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0004 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] protocols.jd2.JobDistributor: (2) [ WARNING ] 3UBQ_relax_test_0004 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (2) Job 14 failed! Slave process 2 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 15 from master. protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (2) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (2) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0005 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] protocols.jd2.JobDistributor: (2) [ WARNING ] 3UBQ_relax_test_0005 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (2) Job 15 failed! Slave process 2 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 15 from node 2. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 15 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 16 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 17 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 16 from node 2. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 16 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 17 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 18 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 12 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 12 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 17 from node 2. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 17 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 18 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 19 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 19 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 20 of 20 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 16 from master. protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (2) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (2) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0006 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] protocols.jd2.JobDistributor: (2) [ WARNING ] 3UBQ_relax_test_0006 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (2) Job 16 failed! Slave process 2 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 17 from master. protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (2) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (2) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0007 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] protocols.jd2.JobDistributor: (2) [ WARNING ] 3UBQ_relax_test_0007 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (2) Job 17 failed! Slave process 2 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 19 from master. protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (2) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (2) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0009 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (2) [ ERROR ] protocols.jd2.JobDistributor: (2) [ WARNING ] 3UBQ_relax_test_0009 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (2) Job 19 failed! Slave process 2 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 0 from master. protocols.jd2.JobDistributor: (2) no more batches to process... protocols.jd2.JobDistributor: (2) 20 jobs considered, 7 jobs attempted in 23 seconds Error: (2) [ ERROR ] Exception caught by rosetta_scripts application: File: src/protocols/jd2/JobDistributor.cc:329 7 jobs failed; check output for error messages Error: (2) [ ERROR ] protocols.rosetta_scripts.RosettaScriptsParser: (3) dock_design_filename=multistate_design.xml protocols.rosetta_scripts.RosettaScriptsParser: (3) Validating input script... protocols.rosetta_scripts.RosettaScriptsParser: (3) ...done protocols.rosetta_scripts.RosettaScriptsParser: (3) Parsed script: core.scoring.ScoreFunctionFactory: (3) SCOREFUNCTION: ref2015 protocols.jd2.parser.ScoreFunctionLoader: (3) defined score function "talaris_cst" with weights "ref2015.wts" protocols.jd2.parser.ScoreFunctionLoader: (3) setting talaris_cst weight res_type_constraint to 1 protocols.jd2.parser.TaskOperationLoader: (3) Defined TaskOperation named "ifcl" of type InitializeFromCommandline core.pack.task.xml_util: (3) Object design reading the following task_operations: Adding the following task operations ifcl protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "design" of type PackRotamersMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd1" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd2" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd3" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "msd4" of type MSDMover core.scoring.ScoreFunctionFactory: (3) SCOREFUNCTION: ref2015 protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "finish" of type FindConsensusSequence protocols.analysis.InterfaceAnalyzerMover: (3) Fixed chains are: H, L, these will be moved together. protocols.rosetta_scripts.RosettaScriptsParser: (3) Defined mover named "analyze" of type InterfaceAnalyzerMover protocols.rosetta_scripts.ParsedProtocol: (3) ParsedProtocol mover with the following movers and filters protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd1" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd2" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd3" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "msd4" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "finish" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (3) added mover "analyze" with filter "true_filter" protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1=protocols.rosetta_scripts.RosettaScriptsParser: (1) dock_design_filename=multistate_design.xml protocols.rosetta_scripts.RosettaScriptsParser: (1) Validating input script... protocols.rosetta_scripts.RosettaScriptsParser: (1) ...done protocols.rosetta_scripts.RosettaScriptsParser: (1) Parsed script: core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: ref2015 protocols.jd2.parser.ScoreFunctionLoader: (1) defined score function "talaris_cst" with weights "ref2015.wts" protocols.jd2.parser.ScoreFunctionLoader: (1) setting talaris_cst weight res_type_constraint to 1 protocols.jd2.parser.TaskOperationLoader: (1) Defined TaskOperation named "ifcl" of type InitializeFromCommandline core.pack.task.xml_util: (1) Object design reading the following task_operations: Adding the following task operations ifcl protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "design" of type PackRotamersMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd1" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd2" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd3" of type MSDMover protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "msd4" of type MSDMover core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: ref2015 protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "finish" of type FindConsensusSequence protocols.analysis.InterfaceAnalyzerMover: (1) Fixed chains are: H, L, these will be moved together. protocols.rosetta_scripts.RosettaScriptsParser: (1) Defined mover named "analyze" of type InterfaceAnalyzerMover protocols.rosetta_scripts.ParsedProtocol: (1) ParsedProtocol mover with the following movers and filters protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd1" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd2" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd3" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "msd4" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "finish" with filter "true_filter" protocols.rosetta_scripts.ParsedProtocol: (1) added mover "analyze" with filter "true_filter" protocols.jd2.PDBJobInputter: (1) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (1) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (1) =======================BEGIN MOVER MSDMover - msd1=protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 13 from node 1. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 13 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 18 from node 3. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 18 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 19 from node 2. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 19 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 20 to node 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: No more jobs to assign, setting next job id to zero protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Finished handing out jobs protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for 3 slaves to finish jobs protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending spin down signal to node 3 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for 2 slaves to finish jobs protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending spin down signal to node 2 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for 1 slaves to finish jobs protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 40 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master node: Received job failure message for job id 20 from node 1. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 20 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master set job 20 as failed/deletable. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for 1 slaves to finish jobs protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending spin down signal to node 1 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Finished sending spin down signals to slaves ====================== protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0002 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 3UBQ_relax_test_0002 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 12 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 18 from master. protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (3) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (3) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0008 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (3) [ ERROR ] protocols.jd2.JobDistributor: (3) [ WARNING ] 3UBQ_relax_test_0008 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (3) Job 18 failed! Slave process 3 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 0 from master. protocols.jd2.JobDistributor: (3) no more batches to process... protocols.jd2.JobDistributor: (3) 20 jobs considered, 10 jobs attempted in 23 seconds Error: (3) [ ERROR ] Exception caught by rosetta_scripts application: File: src/protocols/jd2/JobDistributor.cc:329 10 jobs failed; check output for error messages Error: (3) [ ERROR ] ====================== protocols.rosetta_scripts.ParsedProtocol: (1) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (1) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0003 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (1) [ ERROR ] protocols.jd2.JobDistributor: (1) [ WARNING ] 3UBQ_relax_test_0003 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (1) Job 13 failed! Slave process 1 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Received job id 20 from master. protocols.jd2.PDBJobInputter: (1) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (1) filling pose from saved copy 3UBQ_relax.pdb protocols.jd2.PDBJobInputter: (1) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (1) filling pose from saved copy 3UBQ_relax.pdb protocols.rosetta_scripts.ParsedProtocol: (1) =======================BEGIN MOVER MSDMover - msd1======================= protocols.rosetta_scripts.ParsedProtocol: (1) [ ERROR ] Exception while processing procotol: File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (1) [ ERROR ] [ERROR] Exception caught by JobDistributor for job 3UBQ_relax_test_0010 File: src/protocols/simple_moves/MSDMover.cc:130 Error: no poses initialized. If you run MSDMover from RosettaScripts you need to pass the -run:msd_job_dist flag protocols.jd2.JobDistributor: (1) [ ERROR ] protocols.jd2.JobDistributor: (1) [ WARNING ] 3UBQ_relax_test_0010 reported failure and will NOT retry protocols.jd2.MPIWorkPoolJobDistributor: (1) Job 20 failed! Slave process 1 transmitting failure to master. protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Received job id 0 from master. protocols.jd2.JobDistributor: (1) no more batches to process... protocols.jd2.JobDistributor: (1) 20 jobs considered, 3 jobs attempted in 23 seconds Error: (1) [ ERROR ] Exception caught by rosetta_scripts application: File: src/protocols/jd2/JobDistributor.cc:329 3 jobs failed; check output for error messages Error: (1) [ ERROR ] ------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code.. Per user-direction, the job has been aborted. ------------------------------------------------------- -------------------------------------------------------------------------- mpirun detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[59179,1],3] Exit code: 1 --------------------------------------------------------------------------