Test: linux.clang.integration.release_debug_no_symbols 「view this page in B3 βῆτα server」
Branch: master 「revision: №62057」
Test files: 「file-system-view」 「file-list-view」
Daemon: hojo-1     Started at: 2023-11-13 13:08:49     Run time: 1:05:20      State: failed

Failed sub-tests (click for more details):
cmaes_minimizer energy_based_clustering_alpha_aa_scorefile features

Test Log

Sub-Tests Results

All sub-tests

AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences AlterSpecDisruption AnchorFinder AnchoredDesign AnchoredPDBCreator BFactorSelector BuildPeptide CCD_loop_closure CCS_PARCS ConsensusLoopDesign ContactMolecularSurface DARC_electrostatics DARC_make_ray_files DARC_sampling_on_the_fly DARC_shapeonly DNA_methylation DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FavorSequenceProfileMover FilterReportAsPoseExtraScoresMover FlipChirality FloppyTail HDXEnergy HOW_TO_MAKE_TESTS HelixBendFilter InterfaceAnalyzer InterfaceAnalyzer_allscores InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_metrics InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile InterfaceAnalyzer_tracer InterfaceDdG KIC_refine KIC_vicinity KIC_with_fragments LayerDesign LayerDesign_symm LayerSelector LoopAnalyzer LoopLengthChange ModifyVariantTypeMover MutateResidue_selector N-terminal_acetylation OversaturatedHbondAcceptorFilter PDB_diagnostic PTMPrediction PeptideCyclizeMover PeptideStubMover_prependRepeat PolarDesign2019 ProQ RBOut ReadResfile_with_selector RescorePDDF RescoreSAXS ResidueDisorder RunSimpleMetric_b_factor_test SID_ERMS_prediction SID_rescore SSElementSelector SecondaryStructureFilter SnugDock StrandCurvatureByLevels StrandHelixGeometryFilter ThreadingInputter TryDisulfPermutations UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm UnsatSelector Werror_check abinitio abinitio_with_trRosetta add_constraints_to_current_conformation add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data angle_recovery_stats antibody_H3 antibody_H3_camelid antibody_cc antibody_designer antibody_designer_camelid antibody_designer_xml antibody_graft antibody_numbering_converter app_exception_handling assemble_domains_jd2 auto-drrafter_final_results auto-drrafter_setup_run_R1 auto-drrafter_setup_run_R2 auto-drrafter_setup_run_R3 autoNOE_rosetta autosetup_metals_centroid backbonegridsampler backbonegridsampler_multiresidue backbonegridsampler_nstruct_mode backrub backrub_interface_ddG backrub_pilot balancedKIC basic_gcn_tensorflow_test batch_relax beta_strand_homodimer bin_initialization bin_perturbation binselector binselector_probins broker broker_membrane bundlegridsampler bundlegridsampler_composition_energy bundlegridsampler_composition_energy_fract_range bundlegridsampler_copy_pitch bundlegridsampler_design bundlegridsampler_design_nstruct_mode bundlegridsampler_epsilon bundlegridsampler_multirepeat bundlegridsampler_z0_offset bundlegridsampler_z1_offset bundlereporter_filter burial_measure_centroid buried_area_filter buried_unsat_kinemage buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm c-term_conjugation calculate_sasa carbohydrates cart_min_glycans cartesianddg case_sensitive_filenames ccd_ends_graft_mover_rs central_class_modification centroid_disulfide_scores centroid_from_fullatom cl_complex_rescore classic_relax_1a19 cleanAlignment cluster cluster_alns cluster_calibur cluster_filter cmaes_minimizer coarse_rna_scoring code_template_tests_app code_template_tests_citations code_template_tests_src code_template_tests_unit coenzymes combine_silent composition_energy_layers constel constraints_metric contactMap control_flow_rs copy_rotamer_mover count_cycpep_sequences coupled_moves crankshaft_flip create_clash-based_repack_shell create_sequence_motif crossaln crosslinkermover_1_4_bbmb_asymm crosslinkermover_1_4_bbmb_c2_symmetry crosslinkermover_1_4_bbmb_s2_symm crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal crosslinkermover_tetrahedral_metal_asp crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_thioether crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cs_rosetta_rna cst_info cstfile_to_theozyme_pdb custom_basetype_packer_palette cyclization cycpep_design_pipeline cycpep_rdkit_metric cycpep_rigid_body_permutation_mover cycpep_symmetry_filter d_workflow database_jd2_compact_io database_jd2_io database_md5 database_session_resource ddG_ensemble ddG_of_mutation ddG_scan ddG_sym density_denovo density_refine density_refine_symm density_tools design_glycans design_w_custom_palette-CAAs design_w_custom_palette-NCAAs design_w_custom_palette-RNA dgdp_aio dgdp_script distances disulfidize_beta_cys dna_interface_design dock_glycans dock_with_hotspot_place_simultaneously docking_distance_constraints docking_ensemble docking_ensemble_prepack docking_full_protocol docking_local_refine docking_local_refine_min docking_low_res docking_prepack docking_site_constraints doug_dock_design_min_mod2_cal_cal drrafter_error_estimation drrafter_run drrafter_setup drrafter_setup_build_missing drrafter_setup_protein_dock drrafter_setup_real_test_H drrafter_setup_real_test_H_no_init drrafter_setup_ribosome_test drrafter_setup_simple duplicate_header_guards energy_based_clustering_alpha_aa energy_based_clustering_alpha_aa_bin_analysis energy_based_clustering_alpha_aa_dihedral energy_based_clustering_alpha_aa_scorefile entropy_correction enumerative_sampling enzdes enzscore_filter_dimetal enzscore_filter_dimetal_sym enzscore_filter_ligand enzscore_filter_metal enzscore_filter_metal_sym erraser_minimize esm_model_perplexity evolution exclusively_shared_jumps explicit_membrane extract_atomtree_diffs extract_pdbs farfar_mrna farnesyl fast_relax fast_relax_scripts favor_coupling_tensor favor_native_residue features features_database_schema features_parallel features_pdb features_pdb_mpi features_postgres features_scientific_benchmark fiber_diffraction fiber_diffraction_fad fit_helixparams fit_helixparams_a3b fit_helixparams_rms fix_alignment_to_match_pdb fixbb flexpepdock flexpepdock_abinitio fold_and_dock fold_cst_new fold_from_loops fragment_picker fragmentpicker_integration_demo fuzzy ga_ligand_dock ga_ligand_dock_amino_acid ga_ligand_dock_macrocycle gen_apo_grids gen_lig_grids generate_6Dloopclose genkic_bin_perturbing genkic_bin_sampling genkic_bin_setting genkic_dihedral_copying genkic_lowmemory_mode genkic_rama_filter genkic_ramaprepro_sampling genkic_sugars geometric_solvation glycan_anomers glycan_clash_check glycan_refinment glycan_relax glycan_sequon_scanner glycan_tree_relax glycomutagenesis glycopeptidedocking glycopeptidedocking_diglyco_long glycosylation grid_scores_features hbnet hbnet_asymm hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbnet_use_input_rot hbonds hbonds_sp2 hbondstoresidue_selector hbs_design header_using_check helical_bundle helical_bundle_nonideal helical_bundle_predict helical_bundle_predict_psipred helical_bundle_predict_psipred_with_helix_globals helical_bundle_predict_sequence helical_bundle_predict_skipping_residues helix_from_sequence hierarchical_clustering homodimer_fnd_ref2015_memb hotspot_graft hotspot_hashing hotspot_stub_constraints hshash_utils hts_io hybridization hydrate hydrate_relax identify_cdr_clusters ig_dump include_cc_check interaction_graph_summary_metric interface_energy inv_kin_lig_loop_design iphold jd2test_PDBIO jd2test_PDBin_mmCIFout jd2test_PDBin_mmCIFout_extra_data_separate jd2test_mmCIFIO jd2test_mmCIFin_PDBout job_definition_script_vars jrelax jscore kinemage_grid_output kinematic_looprelax ld_converter ligand_database_io ligand_dock_7cpa ligand_dock_cholesterol ligand_dock_ensemble ligand_dock_grid ligand_dock_script ligand_motif_design ligand_motif_discovery ligand_motif_identification ligand_water_docking longest_continuous_polar_segment_filter loop_creation loop_grower_N_term_symm loop_hash loop_modeling make_and_perturb_bundle_multirepeat make_exemplar make_mainchain_potential make_mainchain_potential_symm make_mainchain_potential_symm_preproline make_rot_lib make_symmdef_file match_1c2t match_1n9l match_6cpa match_xml measure_lcaa_radii membrane_abinitio metal_setup metalloprotein_abrelax metalloprotein_broker metropolis_hastings mf_fixbb_des mf_fixbb_sc mf_flexbb_sc mg_modeler mg_modeler_lores mhc_epitope mhc_epitope_nmer_preload min_pack_min minimize_6Dloopclose minimize_with_elec_dens mirror_symm mixed_monte_carlo mm_params mmtfIO_score_test molfile_to_params molfile_to_params_polymer motif_dna_packer_design motif_extraction motif_score_filter mp_dock mp_dock_ensemble mp_dock_prepack mp_dock_setup mp_domain_assembly mp_domain_assembly_FtsQ mp_find_interface mp_interface_statistics mp_ligand_interface mp_loadtime mp_mutate_relax mp_mutate_repack mp_quick_relax mp_quick_relax_ref2015_memb mp_range_relax mp_relax mp_score_jd2 mp_span_ang_ref2015_memb mp_span_from_pdb mp_symdock mp_symmetry_load mp_transform mp_transform_optimize mp_vis_emb mpi_multistate_design mpi_simple_cycpep_predict mpi_simple_cycpep_predict_4level mpi_simple_cycpep_predict_computing_pnear_to_all mpil_find_pore_ahelical mpil_find_pore_bbarrel mpil_load_implicit_lipids mr_protocols multistage_rosetta_scripts multistage_rosetta_scripts_clustering multithreaded_fastdesign multithreaded_fixbb multithreaded_interaction_graph_accuracy multithreaded_interaction_graph_accuracy_symm multithreaded_packrotamersmover mutate ncaa_fixbb ncbb_packer_palette netcharge_design netcharge_design_symm next_generation_KIC noe_assignment non-canonical_connectivities nonideal_rtmin nucleobase_sample_around number_of_residuetypes oligourea_design oligourea_predict oop_create oop_design oop_dock_design orbitals output_schema pH_mode pepspec_anchor_dock peptiderive per_residue_energies per_residue_sc_sasa per_residue_solvent_exposure pertmin perturb_helical_bundle perturb_helical_bundle_copying_pitch perturb_helical_bundle_epsilon perturb_helical_bundle_setting perturb_helical_bundle_z_offset phiselector phosphonate phosphorylation place_simultaneously pmut_scan pna pna_base_pairs pocket_measure pocket_relax pocket_suggest_targets polyaramid_test_trivial pose_sewing posttranslationalmod_io ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG ppk proteinMPNN_model_perplexity protocol_metric pwsho pymol_cif r_pdb2top r_rmsf ralford_dump_rotamers rama_mutation_selector range_relax_w_cst rb_recces rdkit_metrics read_polymeric_components readin_dna_rna_protein real_virt_mover recces_turner recon_design recon_design_mpi referencepose_mutateresidue relax_w_allatom_cst remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens repeat_propagate repeat_propagate_v2 repeat_propagate_v3 repeat_relax replica_docking report_hbonds_for_plugin res_lipo_ref2015_memb residue_energy_breakdown resource_database_locator restype_converter rings rna_add_WC_stats rna_assemble rna_cluster rna_denovo rna_denovo_RNP_low_res rna_denovo_RNP_refine_native rna_denovo_base_pair_constraints rna_denovo_base_pair_setup rna_denovo_bps rna_denovo_bps_fixed_ends rna_denovo_bps_helix_ends rna_denovo_dna_bridge rna_denovo_fragment_homology_exclusion rna_denovo_grid_vdw rna_denovo_lariat rna_denovo_new_FT_2in_dens rna_denovo_new_FT_5P_j12_leadzyme rna_denovo_new_FT_RNP_2prot_dens rna_denovo_new_FT_rna_two_chains rna_denovo_new_libs rna_denovo_symm_hack rna_design rna_farfar_block_stack rna_farfar_noncanonical_hairpin rna_farfar_syn_chi_res rna_helix rna_minimize rna_minimize_6D_loop_close rna_motif rna_predict_chem_map rna_puzzle11_H2H3H4_run3_connectU40 rna_puzzle12_P5P6P7_DMS rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation rna_puzzle5_p2_GAAA_mini rna_puzzle6_U75G76A77_on_thread1 rna_puzzle6_j67_into_p6p7rigidbody_thread1 rna_ribosome_tether rna_score rna_screen_phosphates rna_suitename rnp_ddg_calc_mut rnp_ddg_calc_setup rnp_ddg_calc_wt rnp_ddg_finalize rnp_ddg_relax_command_1 rnp_ddg_relax_command_2 rnp_ddg_relax_finalize rnp_ddg_relax_setup rollmover rosetta_scripts_hbond_options rosetta_scripts_include rosetta_scripts_info rosetta_scripts_jd3 rosetta_scripts_loops rosetta_scripts_setup rosie_ligand_docking rotamer_probability rotamer_recovery rotamer_recovery_compare_two_structures rs_flexbbmoves rs_loophash sample_seq_from_probs sasa_metric_options score12_docking score_aln score_jd2 score_only_silence sdf_reader secondary_structure_output seed_ensemble_JD2_JI select_best_unique_ligand_poses selected_residue_count_metric sequence_profile_constraints sequence_recovery sequence_tolerance set_torsion shobuns silent2frag simple_cycpep_predict simple_cycpep_predict_1_4_bbmb simple_cycpep_predict_angle simple_cycpep_predict_anglelength simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_bondangle_bondlength simple_cycpep_predict_cartesian simple_cycpep_predict_cispro simple_cycpep_predict_cterm_isopeptide_lariat simple_cycpep_predict_cterm_isopeptide_lariat_tailless simple_cycpep_predict_design simple_cycpep_predict_nmethyl simple_cycpep_predict_nterm_isopeptide_lariat simple_cycpep_predict_nterm_isopeptide_lariat_tailless simple_cycpep_predict_octahedral_metal simple_cycpep_predict_peptoid simple_cycpep_predict_setting simple_cycpep_predict_sidechain_isopeptide simple_cycpep_predict_sidechain_isopeptide_reverse simple_cycpep_predict_square_planar_metal simple_cycpep_predict_square_pyramidal_metal simple_cycpep_predict_symm_gly simple_cycpep_predict_symmetric_sampling simple_cycpep_predict_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails simple_cycpep_predict_terminal_disulfide_tails_2 simple_cycpep_predict_tetrahedral_metal simple_cycpep_predict_tetrahedral_metal_asp simple_cycpep_predict_thioether_cis_sampling simple_cycpep_predict_thioether_lariat simple_cycpep_predict_tma simple_cycpep_predict_trigonal_planar_metal simple_cycpep_predict_trigonal_pyramidal_metal simple_dna_test simple_glycosylation simple_glycosylation_alternate_AAs simple_grafting_movers simple_hbondstoatom simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_in_protocols simple_metrics_per_residue site_constraint small_molecule_lattice_dock smallmover_resselector smart_annealer splice_in_4loops_longer splice_in_4loops_shorter splice_out_H1_H2_longer splice_out_H1_H2_same splice_out_H1_H2_shorter splice_out_H3_longer splice_out_H3_same splice_out_H3_shorter splice_out_L1_L2_longer splice_out_L1_L2_same splice_out_L1_L2_shorter splice_out_L3_longer splice_out_L3_same splice_out_L3_shorter startfrom_file stepwise_lores stored_residue_subset struc_set_fragment_picker super_aln supercharge surface_docking swa_protein_CCDclose swa_protein_build_at_Cterminus swa_protein_build_at_Nterminus swa_protein_cluster swa_protein_combine_loops swa_protein_loop_sampler swa_protein_prepack swa_rna_erraser swa_rna_gagu_01_append swa_rna_gagu_02_prepend swa_rna_gagu_03_append_to_silent swa_rna_gagu_04_clustering swa_rna_gagu_05_prepend_to_5primeterminus swa_rna_gagu_06_append_to_3primeterminus swa_rna_gagu_07_prepend_dinucleotide swa_rna_gagu_08_append_dinucleotide swa_rna_gagu_09_sample_virtual_ribose swa_rna_gagu_10_prepend_and_ccd_close swa_rna_gagu_11_append_and_ccd_close swa_rna_gagu_12_helix_addition swa_rna_gagu_13_chunk_combination_and_closure swa_rna_gagu_14_combine_long_loop_filtering swa_rna_gagu_15_combine_long_loop_sampling swa_rna_gagu_16_prepend_dinucleotide_on_dinucleotide swa_rna_gagu_17_append_floating_base swa_rna_gagu_18_rebuild_bulge swa_rna_gagu_19_prepend_floating_base_by_jump swa_rna_gagu_20_append_floating_base_by_jump swa_rna_gagu_21_prepend_dinucleotide_on_dinucleotide_by_jump swa_rna_gagu_22_prepend_and_kic_close swa_rna_gagu_23_append_and_kic_close swa_rna_loop_clusterer swa_rna_loop_sampler sweep_respair_energies swm_add_rosettascripts swm_beta_peptide_loop swm_build_full_model swm_dna_bridge swm_dna_loop swm_general_polymer_sampler swm_l_rna swm_protein_CCDmove swm_protein_from_scratch swm_protein_loop_sampler swm_protein_move_inside_coiledcoil_by_bond swm_protein_move_inside_helix_by_bond swm_protein_preminimize swm_rna_base_pair_constraints swm_rna_checkpoint_partition swm_rna_fourwayjunction swm_rna_loop_design swm_rna_move_align_dock swm_rna_move_inside_helix_by_bond swm_rna_move_inside_helix_by_jump swm_rna_move_two_strands swm_rna_nickedhelix swm_rna_protonated_adenosine swm_rna_singleloop swm_rna_srl_triplet symm_disulfidize symm_rotamer_boltzmann symmetric_cycpep_align_and_symmetrize symmetric_docking symmetrical_residue_selector symmetry_data_resource symmetry_multicomponent target_clash task_selector tcrmodel template_features tensorflow_connection_test tensorflow_manager tensorflow_simple_model_load_and_evaluate test1_benchmark test_computed_saxs_spectrum test_d_l_readin test_degreaser test_energy_method_options test_idealize test_rosetta_thread_manager_advanced_API test_rosetta_thread_manager_basic_API thermal_sampler thread_local_tracers_check threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs torsion_restricted_sampling trRosetta trRosettaConstraintGenerator trRosettaConstraintGenerator_rosettascripts trRosettaProtocolMover trRosettaProtocolMover_rosettascripts trRosettaProtocolMover_rosettascripts_diskwrite trRosettaProtocolMover_rosettascripts_diskwrite_only trRosetta_test_predict trRosetta_test_predict_ubiquitin trRosetta_test_predict_ubiquitin_cst_file_write trRosetta_test_predict_ubiquitin_cst_file_write_only trRosetta_test_predict_ubiquitin_init_by_bins unfolded_state_energy_calc validate_database vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file zinc_heterodimer zinc_homodimer_design zinc_homodimer_setup

JSON output

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"auto-drrafter_setup_run_R3": { "log": "", "state": "passed" }, "autoNOE_rosetta": { "log": "", "state": "passed" }, "autosetup_metals_centroid": { "log": "", "state": "passed" }, "backbonegridsampler": { "log": "", "state": "passed" }, "backbonegridsampler_multiresidue": { "log": "", "state": "passed" }, "backbonegridsampler_nstruct_mode": { "log": "", "state": "passed" }, "backrub": { "log": "", "state": "passed" }, "backrub_interface_ddG": { "log": "", "state": "passed" }, "backrub_pilot": { "log": "", "state": "passed" }, "balancedKIC": { "log": "", "state": "passed" }, "basic_gcn_tensorflow_test": { "log": "", "state": "passed" }, "batch_relax": { "log": "", "state": "passed" }, "beta_strand_homodimer": { "log": "", "state": "passed" }, "bin_initialization": { "log": "", "state": "passed" }, "bin_perturbation": { "log": "", "state": "passed" }, "binselector": { "log": "", "state": "passed" }, "binselector_probins": { "log": "", "state": "passed" }, "broker": { "log": "", "state": "passed" }, "broker_membrane": { "log": "", "state": "passed" }, "bundlegridsampler": { "log": "", "state": "passed" }, "bundlegridsampler_composition_energy": { "log": "", "state": "passed" }, "bundlegridsampler_composition_energy_fract_range": { "log": "", "state": "passed" }, "bundlegridsampler_copy_pitch": { "log": "", "state": "passed" }, "bundlegridsampler_design": { "log": "", "state": "passed" }, "bundlegridsampler_design_nstruct_mode": { "log": "", "state": "passed" }, "bundlegridsampler_epsilon": { "log": "", "state": "passed" }, "bundlegridsampler_multirepeat": { "log": "", "state": "passed" }, "bundlegridsampler_z0_offset": { "log": "", "state": "passed" }, "bundlegridsampler_z1_offset": { "log": "", "state": "passed" }, "bundlereporter_filter": { "log": "", "state": "passed" }, "burial_measure_centroid": { "log": "", "state": "passed" }, "buried_area_filter": { "log": "", "state": "passed" }, "buried_unsat_kinemage": { "log": "", "state": "passed" }, "buried_unsat_voids_hbnet_design": { "log": "", "state": "passed" }, "buried_unsat_voids_hbnet_design_symm": { "log": "", "state": "passed" }, "c-term_conjugation": { "log": "", "state": "passed" }, "calculate_sasa": { "log": "", "state": "passed" }, "carbohydrates": { "log": "", "state": "passed" }, "cart_min_glycans": { "log": "", "state": "passed" }, "cartesianddg": { "log": "", "state": "passed" }, "case_sensitive_filenames": { "log": "", "state": "passed" }, "ccd_ends_graft_mover_rs": { "log": "", "state": "passed" }, "central_class_modification": { "log": "", "state": "passed" }, "centroid_disulfide_scores": { "log": "", "state": "passed" }, "centroid_from_fullatom": { "log": "", "state": "passed" }, "cl_complex_rescore": { "log": "", "state": "passed" }, "classic_relax_1a19": { "log": "", "state": "passed" }, "cleanAlignment": { "log": "", "state": "passed" }, "cluster": { "log": "", "state": "passed" }, "cluster_alns": { "log": "", "state": "passed" }, "cluster_calibur": { "log": "", "state": "passed" }, "cluster_filter": { "log": "", "state": "passed" }, "cmaes_minimizer": { "log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62056/cmaes_minimizer/log and /home/benchmark/working_dir/master:62057/cmaes_minimizer/log differ\r\nFiles /home/benchmark/working_dir/master:62056/cmaes_minimizer/min_pose.pdb and /home/benchmark/working_dir/master:62057/cmaes_minimizer/min_pose.pdb differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62056/cmaes_minimizer/log /home/benchmark/working_dir/master:62057/cmaes_minimizer/log\r\n95c95\r\n< core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 7.47e-04 < stopTolFun=1.00e-03\r\n---\r\n> core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 7.80e-04 < stopTolFun=1.00e-03\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62056/cmaes_minimizer/min_pose.pdb /home/benchmark/working_dir/master:62057/cmaes_minimizer/min_pose.pdb\r\n13c13\r\n< ATOM 4 O ALA 2 35.363 12.776 -5.095 1.00 0.00 O \r\n---\r\n> ATOM 4 O ALA 2 35.323 12.431 -5.135 1.00 0.00 O \r\n22,112c22,112\r\n< ATOM 13 N ALA 3 35.406 12.650 -7.426 1.00 0.00 N \r\n< ATOM 14 CA ALA 3 36.820 12.491 -7.105 1.00 0.00 C \r\n< ATOM 15 C ALA 3 37.372 13.739 -6.459 1.00 0.00 C \r\n< ATOM 16 O ALA 3 38.264 13.696 -5.604 1.00 0.00 O \r\n< ATOM 17 CB ALA 3 37.555 12.118 -8.404 1.00 0.00 C \r\n< ATOM 18 H ALA 3 34.961 12.656 -8.411 1.00 0.00 H \r\n< ATOM 19 HA ALA 3 36.927 11.668 -6.373 1.00 0.00 H \r\n< ATOM 20 1HB ALA 3 37.162 11.181 -8.843 1.00 0.00 H \r\n< ATOM 21 2HB ALA 3 37.456 12.903 -9.179 1.00 0.00 H \r\n< ATOM 22 3HB ALA 3 38.636 11.961 -8.236 1.00 0.00 H \r\n< ATOM 23 N ALA 4 36.830 15.046 -6.859 1.00 0.00 N \r\n< ATOM 24 CA ALA 4 37.613 16.049 -6.143 1.00 0.00 C \r\n< ATOM 25 C ALA 4 37.375 15.959 -4.654 1.00 0.00 C \r\n< ATOM 26 O ALA 4 38.265 16.203 -3.832 1.00 0.00 O \r\n< ATOM 27 CB ALA 4 37.248 17.427 -6.722 1.00 0.00 C \r\n< ATOM 28 H ALA 4 36.016 15.228 -7.544 1.00 0.00 H \r\n< ATOM 29 HA ALA 4 38.687 15.850 -6.317 1.00 0.00 H \r\n< ATOM 30 1HB ALA 4 37.464 17.487 -7.806 1.00 0.00 H \r\n< ATOM 31 2HB ALA 4 36.174 17.662 -6.595 1.00 0.00 H \r\n< ATOM 32 3HB ALA 4 37.819 18.241 -6.240 1.00 0.00 H \r\n< ATOM 33 N ALA 5 36.044 15.570 -4.168 1.00 0.00 N \r\n< ATOM 34 CA ALA 5 36.088 15.688 -2.714 1.00 0.00 C \r\n< ATOM 35 C ALA 5 36.956 14.610 -2.110 1.00 0.00 C \r\n< ATOM 36 O ALA 5 37.628 14.803 -1.089 1.00 0.00 O \r\n< ATOM 37 CB ALA 5 34.640 15.646 -2.198 1.00 0.00 C \r\n< ATOM 38 H ALA 5 35.201 15.257 -4.768 1.00 0.00 H \r\n< ATOM 39 HA ALA 5 36.544 16.661 -2.452 1.00 0.00 H \r\n< ATOM 40 1HB ALA 5 34.029 16.466 -2.621 1.00 0.00 H \r\n< ATOM 41 2HB ALA 5 34.132 14.697 -2.458 1.00 0.00 H \r\n< ATOM 42 3HB ALA 5 34.592 15.751 -1.099 1.00 0.00 H \r\n< ATOM 43 N ALA 6 37.004 13.290 -2.755 1.00 0.00 N \r\n< ATOM 44 CA ALA 6 37.847 12.451 -1.908 1.00 0.00 C \r\n< ATOM 45 C ALA 6 39.286 12.907 -1.957 1.00 0.00 C \r\n< ATOM 46 O ALA 6 40.026 12.850 -0.968 1.00 0.00 O \r\n< ATOM 47 CB ALA 6 37.668 10.994 -2.368 1.00 0.00 C \r\n< ATOM 48 H ALA 6 36.514 12.999 -3.672 1.00 0.00 H \r\n< ATOM 49 HA ALA 6 37.507 12.552 -0.860 1.00 0.00 H \r\n< ATOM 50 1HB ALA 6 36.614 10.665 -2.290 1.00 0.00 H \r\n< ATOM 51 2HB ALA 6 37.974 10.849 -3.423 1.00 0.00 H \r\n< ATOM 52 3HB ALA 6 38.265 10.294 -1.757 1.00 0.00 H \r\n< ATOM 53 N ALA 7 39.822 13.436 -3.219 1.00 0.00 N \r\n< ATOM 54 CA ALA 7 41.241 13.692 -2.985 1.00 0.00 C \r\n< ATOM 55 C ALA 7 41.432 14.816 -1.994 1.00 0.00 C \r\n< ATOM 56 O ALA 7 42.365 14.825 -1.184 1.00 0.00 O \r\n< ATOM 57 CB ALA 7 41.894 13.981 -4.348 1.00 0.00 C \r\n< ATOM 58 H ALA 7 39.278 13.602 -4.136 1.00 0.00 H \r\n< ATOM 59 HA ALA 7 41.696 12.786 -2.544 1.00 0.00 H \r\n< ATOM 60 1HB ALA 7 41.777 13.132 -5.048 1.00 0.00 H \r\n< ATOM 61 2HB ALA 7 41.453 14.869 -4.840 1.00 0.00 H \r\n< ATOM 62 3HB ALA 7 42.979 14.167 -4.253 1.00 0.00 H \r\n< ATOM 63 N ALA 8 40.476 15.933 -1.993 1.00 0.00 N \r\n< ATOM 64 CA ALA 8 40.970 16.892 -1.008 1.00 0.00 C \r\n< ATOM 65 C ALA 8 40.897 16.318 0.387 1.00 0.00 C \r\n< ATOM 66 O ALA 8 41.758 16.559 1.241 1.00 0.00 O \r\n< ATOM 67 CB ALA 8 40.150 18.184 -1.164 1.00 0.00 C \r\n< ATOM 68 H ALA 8 39.588 16.027 -2.600 1.00 0.00 H \r\n< ATOM 69 HA ALA 8 42.034 17.102 -1.221 1.00 0.00 H \r\n< ATOM 70 1HB ALA 8 40.245 18.610 -2.182 1.00 0.00 H \r\n< ATOM 71 2HB ALA 8 39.070 18.018 -0.984 1.00 0.00 H \r\n< ATOM 72 3HB ALA 8 40.481 18.969 -0.460 1.00 0.00 H \r\n< ATOM 73 N ALA 9 39.766 15.448 0.741 1.00 0.00 N \r\n< ATOM 74 CA ALA 9 39.879 15.193 2.175 1.00 0.00 C \r\n< ATOM 75 C ALA 9 40.922 14.139 2.455 1.00 0.00 C \r\n< ATOM 76 O ALA 9 41.337 13.914 3.599 1.00 0.00 O \r\n< ATOM 77 CB ALA 9 38.483 14.804 2.690 1.00 0.00 C \r\n< ATOM 78 H ALA 9 39.004 15.071 0.074 1.00 0.00 H \r\n< ATOM 79 HA ALA 9 40.209 16.124 2.674 1.00 0.00 H \r\n< ATOM 80 1HB ALA 9 37.740 15.604 2.509 1.00 0.00 H \r\n< ATOM 81 2HB ALA 9 38.099 13.888 2.201 1.00 0.00 H \r\n< ATOM 82 3HB ALA 9 38.485 14.612 3.779 1.00 0.00 H \r\n< ATOM 83 N ALA 10 41.462 13.355 1.335 1.00 0.00 N \r\n< ATOM 84 CA ALA 10 42.423 12.421 1.914 1.00 0.00 C \r\n< ATOM 85 C ALA 10 43.773 13.075 2.091 1.00 0.00 C \r\n< ATOM 86 O ALA 10 44.742 12.465 2.559 1.00 0.00 O \r\n< ATOM 87 CB ALA 10 42.477 11.182 1.005 1.00 0.00 C \r\n< ATOM 88 H ALA 10 41.200 13.451 0.291 1.00 0.00 H \r\n< ATOM 89 HA ALA 10 42.068 12.125 2.919 1.00 0.00 H \r\n< ATOM 90 1HB ALA 10 41.487 10.695 0.917 1.00 0.00 H \r\n< ATOM 91 2HB ALA 10 42.805 11.433 -0.023 1.00 0.00 H \r\n< ATOM 92 3HB ALA 10 43.174 10.417 1.391 1.00 0.00 H \r\n< ATOM 93 N ALA 11 43.941 14.481 1.696 1.00 0.00 N \r\n< ATOM 94 CA ALA 11 45.360 14.784 1.848 1.00 0.00 C \r\n< ATOM 95 C ALA 11 45.662 15.272 3.246 1.00 0.00 C \r\n< ATOM 96 O ALA 11 44.782 15.371 4.110 1.00 0.00 O \r\n< ATOM 97 OXT ALA 11 46.782 15.578 3.546 1.00 0.00 O \r\n< ATOM 98 CB ALA 11 45.738 15.808 0.765 1.00 0.00 C \r\n< ATOM 99 H ALA 11 43.166 15.156 1.359 1.00 0.00 H \r\n< ATOM 100 HA ALA 11 45.938 13.854 1.694 1.00 0.00 H \r\n< ATOM 101 1HB ALA 11 45.546 15.418 -0.253 1.00 0.00 H \r\n< ATOM 102 2HB ALA 11 45.166 16.750 0.863 1.00 0.00 H \r\n< ATOM 103 3HB ALA 11 46.811 16.073 0.806 1.00 0.00 H \r\n---\r\n> ATOM 13 N ALA 3 35.455 13.072 -7.377 1.00 0.00 N \r\n> ATOM 14 CA ALA 3 36.857 12.809 -7.071 1.00 0.00 C \r\n> ATOM 15 C ALA 3 37.372 13.769 -6.026 1.00 0.00 C \r\n> ATOM 16 O ALA 3 38.259 13.451 -5.224 1.00 0.00 O \r\n> ATOM 17 CB ALA 3 37.645 12.886 -8.391 1.00 0.00 C \r\n> ATOM 18 H ALA 3 35.047 13.402 -8.321 1.00 0.00 H \r\n> ATOM 19 HA ALA 3 36.943 11.788 -6.651 1.00 0.00 H \r\n> ATOM 20 1HB ALA 3 37.277 12.150 -9.132 1.00 0.00 H \r\n> ATOM 21 2HB ALA 3 37.569 13.885 -8.863 1.00 0.00 H \r\n> ATOM 22 3HB ALA 3 38.720 12.677 -8.242 1.00 0.00 H \r\n> ATOM 23 N ALA 4 36.802 15.122 -5.959 1.00 0.00 N \r\n> ATOM 24 CA ALA 4 37.545 15.828 -4.920 1.00 0.00 C \r\n> ATOM 25 C ALA 4 37.304 15.205 -3.565 1.00 0.00 C \r\n> ATOM 26 O ALA 4 38.183 15.164 -2.695 1.00 0.00 O \r\n> ATOM 27 CB ALA 4 37.135 17.309 -4.976 1.00 0.00 C \r\n> ATOM 28 H ALA 4 35.995 15.515 -6.558 1.00 0.00 H \r\n> ATOM 29 HA ALA 4 38.627 15.738 -5.134 1.00 0.00 H \r\n> ATOM 30 1HB ALA 4 37.354 17.758 -5.963 1.00 0.00 H \r\n> ATOM 31 2HB ALA 4 36.053 17.449 -4.791 1.00 0.00 H \r\n> ATOM 32 3HB ALA 4 37.674 17.915 -4.225 1.00 0.00 H \r\n> ATOM 33 N ALA 5 35.984 14.630 -3.270 1.00 0.00 N \r\n> ATOM 34 CA ALA 5 36.018 14.223 -1.868 1.00 0.00 C \r\n> ATOM 35 C ALA 5 36.898 13.010 -1.679 1.00 0.00 C \r\n> ATOM 36 O ALA 5 37.550 12.828 -0.643 1.00 0.00 O \r\n> ATOM 37 CB ALA 5 34.567 13.983 -1.417 1.00 0.00 C \r\n> ATOM 38 H ALA 5 35.155 14.528 -3.955 1.00 0.00 H \r\n> ATOM 39 HA ALA 5 36.458 15.044 -1.273 1.00 0.00 H \r\n> ATOM 40 1HB ALA 5 33.947 14.893 -1.528 1.00 0.00 H \r\n> ATOM 41 2HB ALA 5 34.075 13.183 -2.003 1.00 0.00 H \r\n> ATOM 42 3HB ALA 5 34.511 13.689 -0.353 1.00 0.00 H \r\n> ATOM 43 N ALA 6 36.983 12.016 -2.758 1.00 0.00 N \r\n> ATOM 44 CA ALA 6 37.837 10.943 -2.260 1.00 0.00 C \r\n> ATOM 45 C ALA 6 39.264 11.415 -2.106 1.00 0.00 C \r\n> ATOM 46 O ALA 6 39.992 11.017 -1.189 1.00 0.00 O \r\n> ATOM 47 CB ALA 6 37.705 9.754 -3.226 1.00 0.00 C \r\n> ATOM 48 H ALA 6 36.508 12.069 -3.727 1.00 0.00 H \r\n> ATOM 49 HA ALA 6 37.481 10.644 -1.256 1.00 0.00 H \r\n> ATOM 50 1HB ALA 6 36.660 9.397 -3.298 1.00 0.00 H \r\n> ATOM 51 2HB ALA 6 38.029 10.013 -4.253 1.00 0.00 H \r\n> ATOM 52 3HB ALA 6 38.313 8.890 -2.902 1.00 0.00 H \r\n> ATOM 53 N ALA 7 39.803 12.379 -3.076 1.00 0.00 N \r\n> ATOM 54 CA ALA 7 41.211 12.561 -2.732 1.00 0.00 C \r\n> ATOM 55 C ALA 7 41.356 13.255 -1.399 1.00 0.00 C \r\n> ATOM 56 O ALA 7 42.277 12.989 -0.617 1.00 0.00 O \r\n> ATOM 57 CB ALA 7 41.876 13.335 -3.883 1.00 0.00 C \r\n> ATOM 58 H ALA 7 39.267 12.856 -3.882 1.00 0.00 H \r\n> ATOM 59 HA ALA 7 41.684 11.565 -2.637 1.00 0.00 H \r\n> ATOM 60 1HB ALA 7 41.793 12.794 -4.844 1.00 0.00 H \r\n> ATOM 61 2HB ALA 7 41.419 14.332 -4.032 1.00 0.00 H \r\n> ATOM 62 3HB ALA 7 42.954 13.496 -3.701 1.00 0.00 H \r\n> ATOM 63 N ALA 8 40.371 14.276 -1.017 1.00 0.00 N \r\n> ATOM 64 CA ALA 8 40.823 14.825 0.258 1.00 0.00 C \r\n> ATOM 65 C ALA 8 40.750 13.784 1.351 1.00 0.00 C \r\n> ATOM 66 O ALA 8 41.593 13.718 2.252 1.00 0.00 O \r\n> ATOM 67 CB ALA 8 39.968 16.067 0.562 1.00 0.00 C \r\n> ATOM 68 H ALA 8 39.489 14.565 -1.570 1.00 0.00 H \r\n> ATOM 69 HA ALA 8 41.884 15.122 0.160 1.00 0.00 H \r\n> ATOM 70 1HB ALA 8 40.064 16.834 -0.231 1.00 0.00 H \r\n> ATOM 71 2HB ALA 8 38.892 15.823 0.645 1.00 0.00 H \r\n> ATOM 72 3HB ALA 8 40.267 16.551 1.509 1.00 0.00 H \r\n> ATOM 73 N ALA 9 39.640 12.820 1.341 1.00 0.00 N \r\n> ATOM 74 CA ALA 9 39.742 12.066 2.588 1.00 0.00 C \r\n> ATOM 75 C ALA 9 40.811 11.005 2.492 1.00 0.00 C \r\n> ATOM 76 O ALA 9 41.220 10.392 3.486 1.00 0.00 O \r\n> ATOM 77 CB ALA 9 38.352 11.486 2.897 1.00 0.00 C \r\n> ATOM 78 H ALA 9 38.898 12.692 0.566 1.00 0.00 H \r\n> ATOM 79 HA ALA 9 40.040 12.760 3.397 1.00 0.00 H \r\n> ATOM 80 1HB ALA 9 37.588 12.281 3.002 1.00 0.00 H \r\n> ATOM 81 2HB ALA 9 37.999 10.801 2.102 1.00 0.00 H \r\n> ATOM 82 3HB ALA 9 38.346 10.914 3.843 1.00 0.00 H \r\n> ATOM 83 N ALA 10 41.385 10.689 1.175 1.00 0.00 N \r\n> ATOM 84 CA ALA 10 42.365 9.631 1.399 1.00 0.00 C \r\n> ATOM 85 C ALA 10 43.694 10.206 1.828 1.00 0.00 C \r\n> ATOM 86 O ALA 10 44.675 9.490 2.065 1.00 0.00 O \r\n> ATOM 87 CB ALA 10 42.464 8.803 0.106 1.00 0.00 C \r\n> ATOM 88 H ALA 10 41.132 11.148 0.231 1.00 0.00 H \r\n> ATOM 89 HA ALA 10 42.007 8.985 2.223 1.00 0.00 H \r\n> ATOM 90 1HB ALA 10 41.489 8.359 -0.171 1.00 0.00 H \r\n> ATOM 91 2HB ALA 10 42.796 9.415 -0.755 1.00 0.00 H \r\n> ATOM 92 3HB ALA 10 43.177 7.966 0.206 1.00 0.00 H \r\n> ATOM 93 N ALA 11 43.827 11.663 1.968 1.00 0.00 N \r\n> ATOM 94 CA ALA 11 45.236 11.922 2.248 1.00 0.00 C \r\n> ATOM 95 C ALA 11 45.507 11.882 3.733 1.00 0.00 C \r\n> ATOM 96 O ALA 11 44.615 11.646 4.557 1.00 0.00 O \r\n> ATOM 97 OXT ALA 11 46.616 12.084 4.146 1.00 0.00 O \r\n> ATOM 98 CB ALA 11 45.598 13.275 1.612 1.00 0.00 C \r\n> ATOM 99 H ALA 11 43.038 12.397 1.881 1.00 0.00 H \r\n> ATOM 100 HA ALA 11 45.841 11.122 1.783 1.00 0.00 H \r\n> ATOM 101 1HB ALA 11 45.428 13.273 0.518 1.00 0.00 H \r\n> ATOM 102 2HB ALA 11 44.998 14.106 2.030 1.00 0.00 H \r\n> ATOM 103 3HB ALA 11 46.662 13.531 1.768 1.00 0.00 H \r\n118,128c118,128\r\n< pose -24.6927 4.77041 24.4071 0.01055 0 -2.66075 -10.1655 0 -5.28249 0 0 0 0 0.0864 0 -0.76544 0 13.2468 -3.47148 -4.51707\r\n< ALA:NtermProteinFull_1 -2.02796 0.3366 1.43658 0.00166 0 -0.18237 -0.92027 0 0 0 0 0 0 -0.00098 0 0 0 1.32468 0 -0.03205\r\n< ALA_2 -1.93948 0.45957 1.97939 0.00095 0 -0.20478 -1.15594 0 0 0 0 0 0 -0.03195 0 -0.19094 0 1.32468 -0.28982 -0.04833\r\n< ALA_3 -2.40974 0.49291 2.29655 0.00095 0 -0.28337 -0.72593 0 0 0 0 0 0 0.00664 0 -0.16348 0 1.32468 -0.53391 0.0053\r\n< ALA_4 -3.24869 0.48631 2.64716 0.00094 0 -0.34171 -0.78027 0 0 0 0 0 0 -0.03751 0 -0.0428 0 1.32468 -0.38235 -0.37423\r\n< ALA_5 -3.34208 0.46828 3.38565 0.00095 0 -0.32687 -1.81803 0 0 0 0 0 0 -0.02061 0 -0.09475 0 1.32468 -0.29829 -0.72106\r\n< ALA_6 -3.158 0.47599 3.18545 0.00095 0 -0.4078 -1.3852 0 0 0 0 0 0 -0.02831 0 -0.14049 0 1.32468 -0.3669 -0.49964\r\n< ALA_7 -2.81697 0.50575 2.86849 0.00095 0 -0.32683 -1.40449 0 0 0 0 0 0 0.10651 0 -0.15662 0 1.32468 -0.4035 -0.30202\r\n< ALA_8 -2.26038 0.56096 2.41268 0.00097 0 -0.22284 -0.73828 0 0 0 0 0 0 -0.02734 0 -0.04473 0 1.32468 -0.44848 0.55725\r\n< ALA_9 -2.01298 0.59944 2.15748 0.00108 0 -0.17556 -1.1294 0 0 0 0 0 0 0.11994 0 0.06837 0 1.32468 -0.50005 0.453\r\n< ALA:CtermProteinFull_10 -1.47636 0.38461 2.0377 0.00114 0 -0.18862 -0.10775 0 0 0 0 0 0 0 0 0 0 1.32468 -0.2482 1.7272\r\n---\r\n> pose -24.7956 4.88386 24.4999 0.01015 0 -2.61766 -10.1431 0 -5.32405 0 0 0 0 -0.01405 0 -0.75764 0 13.2468 -3.55635 -4.56777\r\n> ALA:NtermProteinFull_1 -2.05805 0.38044 1.47713 0.00127 0 -0.17118 -0.92303 0 0 0 0 0 0 -0.09052 0 0 0 1.32468 0 -0.05926\r\n> ALA_2 -1.96768 0.484 1.97117 0.00095 0 -0.19376 -1.18584 0 0 0 0 0 0 -0.0446 0 -0.16413 0 1.32468 -0.32051 -0.09572\r\n> ALA_3 -2.45194 0.52342 2.2799 0.00095 0 -0.2803 -0.71968 0 0 0 0 0 0 0.00953 0 -0.19494 0 1.32468 -0.58449 -0.09287\r\n> ALA_4 -3.26659 0.50401 2.73469 0.00094 0 -0.3522 -0.80759 0 0 0 0 0 0 -0.04174 0 -0.01979 0 1.32468 -0.38923 -0.31282\r\n> ALA_5 -3.32003 0.46237 3.37402 0.00095 0 -0.30254 -1.74765 0 0 0 0 0 0 -0.02006 0 -0.10678 0 1.32468 -0.2926 -0.62764\r\n> ALA_6 -3.15989 0.47895 3.18822 0.00095 0 -0.40947 -1.40009 0 0 0 0 0 0 -0.02809 0 -0.13413 0 1.32468 -0.36933 -0.50821\r\n> ALA_7 -2.81823 0.50437 2.86401 0.00095 0 -0.31802 -1.37849 0 0 0 0 0 0 0.1083 0 -0.16167 0 1.32468 -0.40198 -0.27609\r\n> ALA_8 -2.26169 0.56238 2.4141 0.00097 0 -0.22606 -0.74911 0 0 0 0 0 0 -0.02685 0 -0.04429 0 1.32468 -0.45086 0.54328\r\n> ALA_9 -2.01182 0.59809 2.15688 0.00108 0 -0.17423 -1.12421 0 0 0 0 0 0 0.11998 0 0.06809 0 1.32468 -0.4991 0.45944\r\n> ALA:CtermProteinFull_10 -1.47966 0.38583 2.03978 0.00114 0 -0.18991 -0.10745 0 0 0 0 0 0 0 0 0 0 1.32468 -0.24825 1.72616\r\n134c134\r\n< TOTAL_SCORE: -4.51707\r\n---\r\n> TOTAL_SCORE: -4.56777\r\n136,146c136,146\r\n< TOTAL_WTD: fa_atr: -24.693 fa_rep: 4.770 fa_sol: 24.407 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.661 fa_elec: -10.166 pro_close: 0.000 hbond_sr_bb: -5.282 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.086 fa_dun: 0.000 p_aa_pp: -0.765 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.471\r\n< RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.337 fa_sol: 1.437 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.182 fa_elec: -0.920 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.001 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000\r\n< RSD_WTD: 2 fa_atr: -1.939 fa_rep: 0.460 fa_sol: 1.979 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.205 fa_elec: -1.156 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.032 fa_dun: 0.000 p_aa_pp: -0.191 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.290\r\n< RSD_WTD: 3 fa_atr: -2.410 fa_rep: 0.493 fa_sol: 2.297 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.283 fa_elec: -0.726 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.007 fa_dun: 0.000 p_aa_pp: -0.163 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.534\r\n< RSD_WTD: 4 fa_atr: -3.249 fa_rep: 0.486 fa_sol: 2.647 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.342 fa_elec: -0.780 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.038 fa_dun: 0.000 p_aa_pp: -0.043 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.382\r\n< RSD_WTD: 5 fa_atr: -3.342 fa_rep: 0.468 fa_sol: 3.386 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.818 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.021 fa_dun: 0.000 p_aa_pp: -0.095 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.298\r\n< RSD_WTD: 6 fa_atr: -3.158 fa_rep: 0.476 fa_sol: 3.185 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.408 fa_elec: -1.385 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.028 fa_dun: 0.000 p_aa_pp: -0.140 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.367\r\n< RSD_WTD: 7 fa_atr: -2.817 fa_rep: 0.506 fa_sol: 2.868 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.404 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.107 fa_dun: 0.000 p_aa_pp: -0.157 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.403\r\n< RSD_WTD: 8 fa_atr: -2.260 fa_rep: 0.561 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.223 fa_elec: -0.738 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.027 fa_dun: 0.000 p_aa_pp: -0.045 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.448\r\n< RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.599 fa_sol: 2.157 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.176 fa_elec: -1.129 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.120 fa_dun: 0.000 p_aa_pp: 0.068 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.500\r\n< RSD_WTD: 10 fa_atr: -1.476 fa_rep: 0.385 fa_sol: 2.038 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.108 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.248\r\n---\r\n> TOTAL_WTD: fa_atr: -24.796 fa_rep: 4.884 fa_sol: 24.500 fa_intra_rep: 0.010 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.618 fa_elec: -10.143 pro_close: 0.000 hbond_sr_bb: -5.324 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.014 fa_dun: 0.000 p_aa_pp: -0.758 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.556\r\n> RSD_WTD: 1 fa_atr: -2.058 fa_rep: 0.380 fa_sol: 1.477 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.171 fa_elec: -0.923 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.091 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000\r\n> RSD_WTD: 2 fa_atr: -1.968 fa_rep: 0.484 fa_sol: 1.971 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.194 fa_elec: -1.186 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.045 fa_dun: 0.000 p_aa_pp: -0.164 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.321\r\n> RSD_WTD: 3 fa_atr: -2.452 fa_rep: 0.523 fa_sol: 2.280 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.280 fa_elec: -0.720 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.010 fa_dun: 0.000 p_aa_pp: -0.195 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.584\r\n> RSD_WTD: 4 fa_atr: -3.267 fa_rep: 0.504 fa_sol: 2.735 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.352 fa_elec: -0.808 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.042 fa_dun: 0.000 p_aa_pp: -0.020 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.389\r\n> RSD_WTD: 5 fa_atr: -3.320 fa_rep: 0.462 fa_sol: 3.374 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.303 fa_elec: -1.748 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.020 fa_dun: 0.000 p_aa_pp: -0.107 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.293\r\n> RSD_WTD: 6 fa_atr: -3.160 fa_rep: 0.479 fa_sol: 3.188 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.409 fa_elec: -1.400 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.028 fa_dun: 0.000 p_aa_pp: -0.134 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.369\r\n> RSD_WTD: 7 fa_atr: -2.818 fa_rep: 0.504 fa_sol: 2.864 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.318 fa_elec: -1.378 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.108 fa_dun: 0.000 p_aa_pp: -0.162 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.402\r\n> RSD_WTD: 8 fa_atr: -2.262 fa_rep: 0.562 fa_sol: 2.414 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.226 fa_elec: -0.749 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.027 fa_dun: 0.000 p_aa_pp: -0.044 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.451\r\n> RSD_WTD: 9 fa_atr: -2.012 fa_rep: 0.598 fa_sol: 2.157 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.174 fa_elec: -1.124 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.120 fa_dun: 0.000 p_aa_pp: 0.068 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.499\r\n> RSD_WTD: 10 fa_atr: -1.480 fa_rep: 0.386 fa_sol: 2.040 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.190 fa_elec: -0.107 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.248\r\n", "state": "failed" }, "coarse_rna_scoring": { "log": "", "state": "passed" }, "code_template_tests_app": { "log": "", "state": "passed" }, "code_template_tests_citations": { "log": "", "state": "passed" }, "code_template_tests_src": { "log": "", "state": "passed" }, "code_template_tests_unit": { "log": "", "state": "passed" }, "coenzymes": { "log": "", "state": "passed" }, "combine_silent": { "log": "", "state": "passed" }, "composition_energy_layers": { "log": "", "state": "passed" }, "constel": { "log": "", "state": "passed" }, "constraints_metric": { "log": "", "state": "passed" }, "contactMap": { "log": "", "state": "passed" }, "control_flow_rs": { "log": "", "state": "passed" }, "copy_rotamer_mover": { "log": "", "state": "passed" }, "count_cycpep_sequences": { "log": "", "state": "passed" }, "coupled_moves": { "log": "", "state": "passed" }, "crankshaft_flip": { "log": "", "state": "passed" }, "create_clash-based_repack_shell": { "log": "", "state": "passed" }, "create_sequence_motif": { "log": "", "state": "passed" }, "crossaln": { "log": "", "state": "passed" }, "crosslinkermover_1_4_bbmb_asymm": { "log": "", "state": "passed" }, "crosslinkermover_1_4_bbmb_c2_symmetry": { "log": "", "state": "passed" }, "crosslinkermover_1_4_bbmb_s2_symm": { "log": "", "state": "passed" }, "crosslinkermover_octahedral": { "log": "", "state": "passed" }, "crosslinkermover_octahedral_s2_symm": { "log": "", "state": "passed" }, "crosslinkermover_square_planar": { "log": "", "state": "passed" }, "crosslinkermover_square_planar_d2_symm": { "log": "", "state": "passed" }, "crosslinkermover_square_pyramidal": { "log": "", "state": "passed" }, "crosslinkermover_tetrahedral_metal": { "log": "", "state": "passed" }, "crosslinkermover_tetrahedral_metal_asp": { "log": "", "state": "passed" }, "crosslinkermover_tetrahedral_metal_c2_symmetry": { "log": "", "state": "passed" }, "crosslinkermover_tetrahedral_metal_d2_symmetry": { "log": "", "state": "passed" }, "crosslinkermover_thioether": { "log": "", "state": "passed" }, "crosslinkermover_tma": { "log": "", "state": "passed" }, "crosslinkermover_tma_symm": { "log": "", "state": "passed" }, "crosslinkermover_trigonal_planar": { "log": "", "state": "passed" }, "crosslinkermover_trigonal_planar_c3_symm": { "log": "", "state": "passed" }, "crosslinkermover_trigonal_pyramidal": { "log": "", "state": "passed" }, "crosslinkermover_trigonal_pyramidal_c3_symm": { "log": "", "state": "passed" }, "cs_rosetta_rna": { "log": "", "state": "passed" }, "cst_info": { "log": "", "state": "passed" }, "cstfile_to_theozyme_pdb": { "log": "", "state": "passed" }, "custom_basetype_packer_palette": { "log": "", "state": "passed" }, "cyclization": { "log": "", "state": "passed" }, "cycpep_design_pipeline": { "log": "", "state": "passed" }, "cycpep_rdkit_metric": { "log": "", "state": "passed" }, "cycpep_rigid_body_permutation_mover": { "log": "", "state": "passed" }, "cycpep_symmetry_filter": { "log": "", "state": "passed" }, "d_workflow": { "log": "", "state": "passed" }, "database_jd2_compact_io": { "log": "", 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"passed" }, "drrafter_setup_build_missing": { "log": "", "state": "passed" }, "drrafter_setup_protein_dock": { "log": "", "state": "passed" }, "drrafter_setup_real_test_H": { "log": "", "state": "passed" }, "drrafter_setup_real_test_H_no_init": { "log": "", "state": "passed" }, "drrafter_setup_ribosome_test": { "log": "", "state": "passed" }, "drrafter_setup_simple": { "log": "", "state": "passed" }, "duplicate_header_guards": { "log": "", "state": "passed" }, "energy_based_clustering_alpha_aa": { "log": "", "state": "passed" }, "energy_based_clustering_alpha_aa_bin_analysis": { "log": "", "state": "passed" }, "energy_based_clustering_alpha_aa_dihedral": { "log": "", "state": "passed" }, "energy_based_clustering_alpha_aa_scorefile": { "log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62056/energy_based_clustering_alpha_aa_scorefile/.test_did_not_run.log and /home/benchmark/working_dir/master:62057/energy_based_clustering_alpha_aa_scorefile/.test_did_not_run.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:62056/energy_based_clustering_alpha_aa_scorefile/.test_did_not_run.log /home/benchmark/working_dir/master:62057/energy_based_clustering_alpha_aa_scorefile/.test_did_not_run.log\r\n1c1\r\n< *** Test energy_based_clustering_alpha_aa_scorefile did not run! Check your --mode flag and paths. [2023-11-07 18:28:45.598452]\r\n---\r\n> *** Test energy_based_clustering_alpha_aa_scorefile did not run! Check your --mode flag and paths. [2023-11-13 13:13:22.274541]\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" }, "entropy_correction": { "log": "", "state": "passed" }, "enumerative_sampling": { "log": "", "state": "passed" }, "enzdes": { "log": "", "state": "passed" }, "enzscore_filter_dimetal": { "log": "", "state": "passed" }, "enzscore_filter_dimetal_sym": { "log": "", "state": "passed" }, "enzscore_filter_ligand": { "log": "", "state": "passed" }, "enzscore_filter_metal": { "log": "", "state": "passed" }, "enzscore_filter_metal_sym": { "log": "", "state": "passed" }, "erraser_minimize": { "log": "", "state": "passed" }, "esm_model_perplexity": { "log": "", "state": "passed" }, "evolution": { "log": "", "state": "passed" }, "exclusively_shared_jumps": { "log": "", "state": "passed" }, "explicit_membrane": { "log": "", "state": "passed" }, "extract_atomtree_diffs": { "log": "", "state": "passed" }, "extract_pdbs": { "log": "", "state": "passed" }, "farfar_mrna": { "log": "", "state": "passed" }, "farnesyl": { "log": "", "state": "passed" }, "fast_relax": { "log": "", "state": "passed" }, "fast_relax_scripts": { "log": "", "state": "passed" }, "favor_coupling_tensor": { "log": "", "state": "passed" }, "favor_native_residue": { "log": "", "state": "passed" }, "features": { "log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62056/features/log_db_output and /home/benchmark/working_dir/master:62057/features/log_db_output differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62056/features/log_db_output /home/benchmark/working_dir/master:62057/features/log_db_output\r\n703a704,706\r\n> basic.io.database: Database file opened: scoring/score_functions/custom_pair_distance/pos_charge_repulsion\r\n> basic.io.database: Database file opened: 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