Compiling: find bin -type l ! -name ".*" -exec rm {} \; ; /home/benchmark/prefix/nobu-2/linux/python-3.9.gcc/99a1a29fd465f86265a7c5b92d75dbcd/bin/python3.9 ./scons.py bin mode=release_debug_no_symbols cxx=clang extras= -j48
Running: unset __PYVENV_LAUNCHER__ && . /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/bin/activate && cd /home/benchmark/rosetta/tests/integration && python ./integration.py --mode=release_debug_no_symbols --compiler=clang --extras= --timeout=3600 -j48 --skip-comparison --additional_flags "-in:path:database_cache_dir /home/benchmark/rosetta/.database-binaries/linuxclangrelease_debug_no_symbols"
Running integration script...
Command line: unset __PYVENV_LAUNCHER__ && . /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/bin/activate && cd /home/benchmark/rosetta/tests/integration && python ./integration.py --mode=release_debug_no_symbols --compiler=clang --extras= --timeout=3600 -j48 --skip-comparison --additional_flags "-in:path:database_cache_dir /home/benchmark/rosetta/.database-binaries/linuxclangrelease_debug_no_symbols"
Using Rosetta source dir at: /home/benchmark/rosetta/source
Using Rosetta database dir at:/home/benchmark/rosetta/database
Current Versions Tested:
MAIN: 8b55183273bf7e7b764cac8c799ce3326cd01121
TOOLS: b0af2521cbed1f2bde597ef1c5406efa376a6f85
DEMOS: 48c9239db73b9a8c828954d9215c983b9f144c92
Python: `/home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/bin/python`
Outdir: new
Running Test voids_penalty_energy_design_symmetry
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/voids_penalty_energy_design_symmetry/command.sh
No correct command.sh file found for trRosetta_test_predict_ubiquitin_init_by_bins. Skipping.
Running Test voids_penalty_energy_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/voids_penalty_energy_design/command.sh
Running Test trRosetta_test_predict_ubiquitin_cst_file_write_only
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/trRosetta_test_predict_ubiquitin_cst_file_write_only/command.sh
Running Test trRosetta_test_predict_ubiquitin_cst_file_write
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/trRosetta_test_predict_ubiquitin_cst_file_write/command.sh
No correct command.sh file found for trRosetta_test_predict. Skipping.
Running Test trRosetta_test_predict_ubiquitin
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/trRosetta_test_predict_ubiquitin/command.sh
Running Test trRosettaProtocolMover_rosettascripts_diskwrite_only
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/trRosettaProtocolMover_rosettascripts_diskwrite_only/command.sh
Running Test trRosettaProtocolMover_rosettascripts_diskwrite
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/trRosettaProtocolMover_rosettascripts_diskwrite/command.sh
No correct command.sh file found for trRosettaProtocolMover. Skipping.
Running Test trRosettaProtocolMover_rosettascripts
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/trRosettaProtocolMover_rosettascripts/command.sh
No correct command.sh file found for trRosettaConstraintGenerator. Skipping.
No correct command.sh file found for trRosetta. Skipping.
Running Test trRosettaConstraintGenerator_rosettascripts
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/trRosettaConstraintGenerator_rosettascripts/command.sh
Running Test tna_base_pairs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/tna_base_pairs/command.sh
No correct command.sh file found for test_rosetta_thread_manager_basic_API. Skipping.
No correct command.sh file found for test_rosetta_thread_manager_advanced_API. Skipping.
Running Test thread_local_tracers_check
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/thread_local_tracers_check/command.sh
Running Test test_energy_method_options
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/test_energy_method_options/command.sh
No correct command.sh file found for tensorflow_simple_model_load_and_evaluate. Skipping.
No correct command.sh file found for tensorflow_manager. Skipping.
No correct command.sh file found for tensorflow_connection_test. Skipping.
Running Test test_degreaser
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/test_degreaser/command.sh
Running Test tcrmodel
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/tcrmodel/command.sh
Running Test target_clash
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/target_clash/command.sh
Running Test swm_rna_checkpoint_partition
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_checkpoint_partition/command.sh
Running Test swm_general_polymer_sampler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_general_polymer_sampler/command.sh
Running Test swm_rna_base_pair_constraints
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_base_pair_constraints/command.sh
Running Test swm_dna_loop
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_dna_loop/command.sh
Running Test swm_dna_bridge
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_dna_bridge/command.sh
No correct command.sh file found for smart_annealer. Skipping.
Running Test swm_add_rosettascripts
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_add_rosettascripts/command.sh
Running Test small_molecule_lattice_dock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/small_molecule_lattice_dock/command.sh
Running Test simple_metrics_per_residue
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_metrics_per_residue/command.sh
Running Test simple_metrics_in_protocols
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_metrics_in_protocols/command.sh
Running Test simple_metrics_b_factor
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_metrics_b_factor/command.sh
Running Test simple_metrics
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_metrics/command.sh
Running Test simple_metric_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_metric_filter/command.sh
Running Test simple_metric_features
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_metric_features/command.sh
Running Test simple_metric_cache
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_metric_cache/command.sh
Running Test simple_grafting_movers
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_grafting_movers/command.sh
Running Test simple_glycosylation_alternate_AAs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_glycosylation_alternate_AAs/command.sh
Running Test simple_cycpep_predict_trigonal_pyramidal_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_trigonal_pyramidal_metal/command.sh
Running Test simple_cycpep_predict_trigonal_planar_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_trigonal_planar_metal/command.sh
Running Test simple_cycpep_predict_tma
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_tma/command.sh
Running Test simple_cycpep_predict_thioether_lariat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_thioether_lariat/command.sh
Running Test simple_cycpep_predict_thioether_cis_sampling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_thioether_cis_sampling/command.sh
Running Test simple_cycpep_predict_tetrahedral_metal_asp
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_tetrahedral_metal_asp/command.sh
Running Test simple_cycpep_predict_tetrahedral_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_tetrahedral_metal/command.sh
Running Test simple_cycpep_predict_terminal_disulfide_tails_2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_terminal_disulfide_tails_2/command.sh
Running Test simple_cycpep_predict_terminal_disulfide_tails
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_terminal_disulfide_tails/command.sh
Running Test simple_cycpep_predict_terminal_disulfide_internal_permutations
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_terminal_disulfide_internal_permutations/command.sh
Running Test simple_cycpep_predict_terminal_disulfide
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_terminal_disulfide/command.sh
Running Test simple_cycpep_predict_square_pyramidal_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_square_pyramidal_metal/command.sh
Running Test simple_cycpep_predict_square_planar_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_square_planar_metal/command.sh
Running Test simple_cycpep_predict_sidechain_isopeptide_reverse
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_sidechain_isopeptide_reverse/command.sh
Running Test simple_cycpep_predict_sidechain_isopeptide
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_sidechain_isopeptide/command.sh
Running Test simple_cycpep_predict_octahedral_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_octahedral_metal/command.sh
Running Test simple_cycpep_predict_peptoid
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_peptoid/command.sh
Finished trRosettaConstraintGenerator_rosettascripts in 0 seconds [~ 60 test (7.453416149068323%) started, 745 in queue, 48 running]
Finished thread_local_tracers_check in 0 seconds [~ 60 test (7.453416149068323%) started, 745 in queue, 47 running]
Finished test_energy_method_options in 0 seconds [~ 60 test (7.453416149068323%) started, 745 in queue, 46 running]
Running Test simple_cycpep_predict_nterm_isopeptide_lariat_tailless
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_nterm_isopeptide_lariat_tailless/command.sh
Running Test simple_cycpep_predict_nterm_isopeptide_lariat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_nterm_isopeptide_lariat/command.sh
Running Test simple_cycpep_predict_lanthionine
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_lanthionine/command.sh
Finished trRosetta_test_predict_ubiquitin_cst_file_write_only in 10 seconds [~ 63 test (7.826086956521739%) started, 742 in queue, 48 running]
Finished trRosetta_test_predict_ubiquitin_cst_file_write in 10 seconds [~ 63 test (7.826086956521739%) started, 742 in queue, 47 running]
Finished trRosetta_test_predict_ubiquitin in 10 seconds [~ 63 test (7.826086956521739%) started, 742 in queue, 46 running]
Running Test simple_cycpep_predict_cterm_isopeptide_lariat_tailless
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_cterm_isopeptide_lariat_tailless/command.sh
Running Test simple_cycpep_predict_cterm_isopeptide_lariat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_cterm_isopeptide_lariat/command.sh
Running Test simple_cycpep_predict_bondangle_bondlength
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_bondangle_bondlength/command.sh
Finished trRosettaProtocolMover_rosettascripts_diskwrite_only in 11 seconds [~ 66 test (8.198757763975156%) started, 739 in queue, 48 running]
Finished trRosettaProtocolMover_rosettascripts in 11 seconds [~ 66 test (8.198757763975156%) started, 739 in queue, 47 running]
Running Test simple_cycpep_predict_beta_thioether_lariat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_beta_thioether_lariat/command.sh
Running Test simple_cycpep_predict_1_4_bbmb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_1_4_bbmb/command.sh
Finished trRosettaProtocolMover_rosettascripts_diskwrite in 11 seconds [~ 68 test (8.4472049689441%) started, 737 in queue, 48 running]
Running Test sim_cryo
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sim_cryo/command.sh
Finished target_clash in 31 seconds [~ 69 test (8.571428571428571%) started, 736 in queue, 48 running]
Running Test selected_residue_count_metric
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/selected_residue_count_metric/command.sh
Finished tna_base_pairs in 31 seconds [~ 70 test (8.695652173913043%) started, 735 in queue, 48 running]
Running Test sasa_metric_options
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sasa_metric_options/command.sh
Finished swm_add_rosettascripts in 35 seconds [~ 71 test (8.819875776397515%) started, 734 in queue, 48 running]
Running Test sample_seq_from_probs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sample_seq_from_probs/command.sh
Finished swm_rna_checkpoint_partition in 61 seconds [~ 72 test (8.944099378881987%) started, 733 in queue, 48 running]
Running Test rosetta_scripts_jd3
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rosetta_scripts_jd3/command.sh
Finished sim_cryo in 52 seconds [~ 73 test (9.06832298136646%) started, 732 in queue, 48 running]
Running Test rnp_ddg_relax_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_relax_setup/command.sh
PYTHON IS /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/bin/python
Finished rnp_ddg_relax_setup in 0 seconds [~ 74 test (9.192546583850932%) started, 731 in queue, 48 running]
Running Test rnp_ddg_relax_finalize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_relax_finalize/command.sh
PYTHON IS /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/bin/python
Finished rnp_ddg_relax_finalize in 0 seconds [~ 75 test (9.316770186335404%) started, 730 in queue, 48 running]
Running Test rnp_ddg_relax_command_2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_relax_command_2/command.sh
Finished sasa_metric_options in 42 seconds [~ 76 test (9.440993788819876%) started, 729 in queue, 48 running]
Running Test rnp_ddg_relax_command_1
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_relax_command_1/command.sh
Finished small_molecule_lattice_dock in 82 seconds [~ 77 test (9.565217391304348%) started, 728 in queue, 48 running]
Running Test rnp_ddg_finalize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_finalize/command.sh
PYTHON IS /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/bin/python
Finished rnp_ddg_finalize in 0 seconds [~ 78 test (9.68944099378882%) started, 727 in queue, 48 running]
Running Test rnp_ddg_calc_wt
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_calc_wt/command.sh
Finished simple_cycpep_predict_terminal_disulfide in 108 seconds [~ 79 test (9.813664596273291%) started, 726 in queue, 48 running]
Running Test rnp_ddg_calc_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_calc_setup/command.sh
PYTHON is /home/benchmark/prefix/nobu-2/linux/python_virtual_environments/python-3.9/df3055f6f81b525b8050290cef45e968/bin/python
Finished rnp_ddg_calc_setup in 0 seconds [~ 80 test (9.937888198757763%) started, 725 in queue, 48 running]
Running Test rnp_ddg_calc_mut
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rnp_ddg_calc_mut/command.sh
Finished swm_general_polymer_sampler in 111 seconds [~ 81 test (10.062111801242237%) started, 724 in queue, 48 running]
Finished simple_cycpep_predict_lanthionine in 110 seconds [~ 81 test (10.062111801242237%) started, 724 in queue, 47 running]
Running Test rna_predict_chem_map
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_predict_chem_map/command.sh
Running Test rna_denovo_symm_hack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_symm_hack/command.sh
Finished simple_cycpep_predict_terminal_disulfide_tails in 121 seconds [~ 83 test (10.31055900621118%) started, 722 in queue, 48 running]
Running Test rna_denovo_new_libs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_new_libs/command.sh
Finished tcrmodel in 122 seconds [~ 84 test (10.434782608695652%) started, 721 in queue, 48 running]
Running Test rna_denovo_new_FT_rna_two_chains
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_new_FT_rna_two_chains/command.sh
Finished simple_cycpep_predict_square_planar_metal in 126 seconds [~ 85 test (10.559006211180124%) started, 720 in queue, 48 running]
Finished simple_cycpep_predict_nterm_isopeptide_lariat in 126 seconds [~ 85 test (10.559006211180124%) started, 720 in queue, 47 running]
Running Test rna_denovo_new_FT_RNP_2prot_dens
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_new_FT_RNP_2prot_dens/command.sh
Running Test rna_denovo_new_FT_5P_j12_leadzyme
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_new_FT_5P_j12_leadzyme/command.sh
Finished rna_predict_chem_map in 16 seconds [~ 87 test (10.807453416149068%) started, 718 in queue, 48 running]
Running Test rna_denovo_new_FT_2in_dens
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_new_FT_2in_dens/command.sh
Finished simple_cycpep_predict_sidechain_isopeptide in 128 seconds [~ 88 test (10.93167701863354%) started, 717 in queue, 48 running]
Running Test rna_denovo_lariat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_lariat/command.sh
Finished simple_cycpep_predict_nterm_isopeptide_lariat_tailless in 129 seconds [~ 89 test (11.055900621118013%) started, 716 in queue, 48 running]
Running Test rna_denovo_fragment_homology_exclusion
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_fragment_homology_exclusion/command.sh
Finished simple_cycpep_predict_sidechain_isopeptide_reverse in 129 seconds [~ 90 test (11.180124223602485%) started, 715 in queue, 48 running]
Running Test rna_denovo_dna_bridge
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_dna_bridge/command.sh
Finished simple_metrics_b_factor in 132 seconds [~ 91 test (11.304347826086957%) started, 714 in queue, 48 running]
Running Test restype_converter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/restype_converter/command.sh
Finished simple_grafting_movers in 132 seconds [~ 92 test (11.428571428571429%) started, 713 in queue, 48 running]
No correct command.sh file found for replica_docking. Skipping.
Running Test res_lipo_ref2015_memb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/res_lipo_ref2015_memb/command.sh
Finished simple_metrics_in_protocols in 133 seconds [~ 94 test (11.677018633540373%) started, 711 in queue, 48 running]
Running Test repeat_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/repeat_relax/command.sh
Finished simple_cycpep_predict_terminal_disulfide_internal_permutations in 134 seconds [~ 95 test (11.801242236024844%) started, 710 in queue, 48 running]
Finished rna_denovo_new_FT_rna_two_chains in 11 seconds [~ 95 test (11.801242236024844%) started, 710 in queue, 47 running]
Running Test repeat_propagate_v3
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/repeat_propagate_v3/command.sh
Running Test repeat_propagate_v2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/repeat_propagate_v2/command.sh
Finished simple_cycpep_predict_tetrahedral_metal_asp in 135 seconds [~ 97 test (12.049689440993788%) started, 708 in queue, 48 running]
No correct command.sh file found for recon_design_mpi. Skipping.
Running Test repeat_propagate
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/repeat_propagate/command.sh
Finished simple_cycpep_predict_cterm_isopeptide_lariat in 125 seconds [~ 99 test (12.298136645962733%) started, 706 in queue, 48 running]
Running Test recon_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/recon_design/command.sh
Finished simple_cycpep_predict_cterm_isopeptide_lariat_tailless in 127 seconds [~ 100 test (12.422360248447205%) started, 705 in queue, 48 running]
Running Test read_polymeric_components
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/read_polymeric_components/command.sh
Finished restype_converter in 7 seconds [~ 101 test (12.546583850931677%) started, 704 in queue, 48 running]
Running Test rdkit_metrics
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rdkit_metrics/command.sh
Finished simple_metric_cache in 142 seconds [~ 102 test (12.670807453416149%) started, 703 in queue, 48 running]
Running Test pymol_cif
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pymol_cif/command.sh
Finished simple_cycpep_predict_thioether_lariat in 145 seconds [~ 103 test (12.79503105590062%) started, 702 in queue, 48 running]
No correct command.sh file found for proteinMPNN_model_perplexity. Skipping.
Running Test protocol_metric
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/protocol_metric/command.sh
Finished simple_glycosylation_alternate_AAs in 145 seconds [~ 105 test (13.043478260869565%) started, 700 in queue, 48 running]
Running Test pose_sewing
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pose_sewing/command.sh
Finished simple_metric_filter in 146 seconds [~ 106 test (13.167701863354038%) started, 699 in queue, 48 running]
Running Test polyaramid_test_trivial
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/polyaramid_test_trivial/command.sh
Finished read_polymeric_components in 8 seconds [~ 107 test (13.29192546583851%) started, 698 in queue, 48 running]
Running Test pna_base_pairs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pna_base_pairs/command.sh
/home/benchmark/rosetta/tests/integration/new/simple_metric_features/command.sh: line 12: dump.sql: No such file or directory
Finished simple_metric_features in 151 seconds [~ 108 test (13.416149068322982%) started, 697 in queue, 48 running]
Running Test phosphorylation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/phosphorylation/command.sh
Finished pymol_cif in 12 seconds [~ 109 test (13.540372670807454%) started, 696 in queue, 48 running]
Running Test perturb_helical_bundle_setting
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/perturb_helical_bundle_setting/command.sh
Finished rna_denovo_new_FT_5P_j12_leadzyme in 31 seconds [~ 110 test (13.664596273291925%) started, 695 in queue, 48 running]
Running Test per_residue_solvent_exposure
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/per_residue_solvent_exposure/command.sh
Finished selected_residue_count_metric in 127 seconds [~ 111 test (13.788819875776397%) started, 694 in queue, 48 running]
Running Test output_schema
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/output_schema/command.sh
Finished per_residue_solvent_exposure in 0 seconds [~ 112 test (13.91304347826087%) started, 693 in queue, 48 running]
Running Test oligourea_predict
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/oligourea_predict/command.sh
Finished simple_cycpep_predict_peptoid in 161 seconds [~ 113 test (14.037267080745341%) started, 692 in queue, 48 running]
Running Test oligourea_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/oligourea_design/command.sh
Finished sample_seq_from_probs in 128 seconds [~ 114 test (14.161490683229813%) started, 691 in queue, 48 running]
Running Test netcharge_design_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/netcharge_design_symm/command.sh
Finished res_lipo_ref2015_memb in 31 seconds [~ 115 test (14.285714285714286%) started, 690 in queue, 48 running]
Running Test netcharge_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/netcharge_design/command.sh
Finished repeat_propagate_v2 in 30 seconds [~ 116 test (14.409937888198758%) started, 689 in queue, 48 running]
Running Test ncbb_packer_palette
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ncbb_packer_palette/command.sh
Finished repeat_propagate_v3 in 31 seconds [~ 117 test (14.53416149068323%) started, 688 in queue, 48 running]
No correct command.sh file found for multithreaded_packrotamersmover. Skipping.
No correct command.sh file found for multithreaded_interaction_graph_accuracy_symm. Skipping.
No correct command.sh file found for multithreaded_interaction_graph_accuracy. Skipping.
No correct command.sh file found for multithreaded_fixbb. Skipping.
No correct command.sh file found for multithreaded_fastdesign. Skipping.
Running Test mutate
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mutate/command.sh
Finished phosphorylation in 16 seconds [~ 123 test (15.279503105590063%) started, 682 in queue, 48 running]
Running Test multistage_rosetta_scripts_clustering
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/multistage_rosetta_scripts_clustering/command.sh
Finished repeat_propagate in 33 seconds [~ 124 test (15.403726708074535%) started, 681 in queue, 48 running]
Running Test multistage_rosetta_scripts
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/multistage_rosetta_scripts/command.sh
Finished simple_cycpep_predict_terminal_disulfide_tails_2 in 171 seconds [~ 125 test (15.527950310559007%) started, 680 in queue, 48 running]
Running Test mpil_load_implicit_lipids
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mpil_load_implicit_lipids/command.sh
Finished rdkit_metrics in 31 seconds [~ 126 test (15.652173913043478%) started, 679 in queue, 48 running]
Running Test mpil_find_pore_bbarrel
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mpil_find_pore_bbarrel/command.sh
Finished output_schema in 16 seconds [~ 127 test (15.77639751552795%) started, 678 in queue, 48 running]
No correct command.sh file found for mpi_simple_cycpep_predict_computing_pnear_to_all. Skipping.
No correct command.sh file found for mpi_simple_cycpep_predict_4level. Skipping.
No correct command.sh file found for mpi_simple_cycpep_predict. Skipping.
Running Test mpil_find_pore_ahelical
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mpil_find_pore_ahelical/command.sh
Finished simple_cycpep_predict_1_4_bbmb in 164 seconds [~ 131 test (16.273291925465838%) started, 674 in queue, 48 running]
Running Test mp_span_ang_ref2015_memb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_span_ang_ref2015_memb/command.sh
Finished rna_denovo_new_FT_RNP_2prot_dens in 49 seconds [~ 132 test (16.39751552795031%) started, 673 in queue, 48 running]
Running Test mp_quick_relax_ref2015_memb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_quick_relax_ref2015_memb/command.sh
Finished recon_design in 41 seconds [~ 133 test (16.52173913043478%) started, 672 in queue, 48 running]
Finished mpil_load_implicit_lipids in 5 seconds [~ 133 test (16.52173913043478%) started, 672 in queue, 47 running]
Running Test mp_ligand_interface
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_ligand_interface/command.sh
Running Test mp_f19_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_f19_relax/command.sh
Finished pna_base_pairs in 30 seconds [~ 135 test (16.770186335403725%) started, 670 in queue, 48 running]
Finished mutate in 12 seconds [~ 135 test (16.770186335403725%) started, 670 in queue, 47 running]
Running Test mp_domain_assembly_FtsQ
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_domain_assembly_FtsQ/command.sh
Running Test mp_domain_assembly
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_domain_assembly/command.sh
Finished protocol_metric in 33 seconds [~ 137 test (17.018633540372672%) started, 668 in queue, 48 running]
Running Test mp_dock_ensemble
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_dock_ensemble/command.sh
Finished mpil_find_pore_bbarrel in 7 seconds [~ 138 test (17.142857142857142%) started, 667 in queue, 48 running]
Running Test molfile_to_params_polymer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/molfile_to_params_polymer/command.sh
Finished mpil_find_pore_ahelical in 5 seconds [~ 139 test (17.267080745341616%) started, 666 in queue, 48 running]
Running Test mmtfIO_score_test
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mmtfIO_score_test/command.sh
Finished simple_cycpep_predict_bondangle_bondlength in 181 seconds [~ 140 test (17.391304347826086%) started, 665 in queue, 48 running]
Running Test mixed_monte_carlo
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mixed_monte_carlo/command.sh
Finished perturb_helical_bundle_setting in 40 seconds [~ 141 test (17.51552795031056%) started, 664 in queue, 48 running]
Running Test mhc_epitope_nmer_preload
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mhc_epitope_nmer_preload/command.sh
Finished pose_sewing in 52 seconds [~ 142 test (17.63975155279503%) started, 663 in queue, 48 running]
Running Test mhc_epitope
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mhc_epitope/command.sh
Finished simple_cycpep_predict_thioether_cis_sampling in 197 seconds [~ 143 test (17.763975155279503%) started, 662 in queue, 48 running]
Running Test make_mainchain_potential_symm_preproline
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/make_mainchain_potential_symm_preproline/command.sh
Finished rnp_ddg_relax_command_1 in 125 seconds [~ 144 test (17.888198757763973%) started, 661 in queue, 48 running]
Running Test make_mainchain_potential_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/make_mainchain_potential_symm/command.sh
Finished oligourea_predict in 41 seconds [~ 145 test (18.012422360248447%) started, 660 in queue, 48 running]
Running Test make_mainchain_potential
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/make_mainchain_potential/command.sh
Finished oligourea_design in 39 seconds [~ 146 test (18.13664596273292%) started, 659 in queue, 48 running]
Running Test loop_grower_N_term_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/loop_grower_N_term_symm/command.sh
Finished mmtfIO_score_test in 25 seconds [~ 147 test (18.26086956521739%) started, 658 in queue, 48 running]
Running Test ligand_motif_identification
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_motif_identification/command.sh
Finished test_degreaser in 206 seconds [~ 148 test (18.385093167701864%) started, 657 in queue, 48 running]
Running Test ligand_motif_discovery
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_motif_discovery/command.sh
Finished simple_cycpep_predict_beta_thioether_lariat in 195 seconds [~ 149 test (18.509316770186334%) started, 656 in queue, 48 running]
Finished mp_span_ang_ref2015_memb in 31 seconds [~ 149 test (18.509316770186334%) started, 656 in queue, 47 running]
Running Test ligand_dock_cholesterol
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_dock_cholesterol/command.sh
Running Test job_definition_script_vars
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/job_definition_script_vars/command.sh
Finished make_mainchain_potential_symm_preproline in 9 seconds [~ 151 test (18.757763975155278%) started, 654 in queue, 48 running]
Running Test iphold
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/iphold/command.sh
Finished simple_cycpep_predict_octahedral_metal in 207 seconds [~ 152 test (18.88198757763975%) started, 653 in queue, 48 running]
Running Test interface_energy
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/interface_energy/command.sh
Finished multistage_rosetta_scripts_clustering in 40 seconds [~ 153 test (19.006211180124225%) started, 652 in queue, 48 running]
Finished mp_quick_relax_ref2015_memb in 31 seconds [~ 153 test (19.006211180124225%) started, 652 in queue, 47 running]
Running Test interaction_graph_summary_metric
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/interaction_graph_summary_metric/command.sh
Running Test hydrate_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hydrate_relax/command.sh
Finished make_mainchain_potential_symm in 9 seconds [~ 155 test (19.25465838509317%) started, 650 in queue, 48 running]
Running Test hydrate
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hydrate/command.sh
Finished mp_ligand_interface in 36 seconds [~ 156 test (19.37888198757764%) started, 649 in queue, 48 running]
Running Test homodimer_fnd_ref2015_memb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/homodimer_fnd_ref2015_memb/command.sh
Finished simple_cycpep_predict_tma in 218 seconds [~ 157 test (19.503105590062113%) started, 648 in queue, 48 running]
Running Test helical_bundle_predict_skipping_residues
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_skipping_residues/command.sh
Finished ncbb_packer_palette in 53 seconds [~ 158 test (19.627329192546583%) started, 647 in queue, 48 running]
Finished multistage_rosetta_scripts in 49 seconds [~ 158 test (19.627329192546583%) started, 647 in queue, 47 running]
Running Test helical_bundle_predict_sequence
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_sequence/command.sh
Running Test helical_bundle_predict_psipred_with_helix_globals
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_psipred_with_helix_globals/command.sh
Finished interface_energy in 13 seconds [~ 160 test (19.875776397515526%) started, 645 in queue, 48 running]
Running Test helical_bundle_predict_psipred
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict_psipred/command.sh
Finished ligand_motif_identification in 15 seconds [~ 161 test (20.0%) started, 644 in queue, 48 running]
Running Test helical_bundle_predict
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_predict/command.sh
Finished rna_denovo_symm_hack in 116 seconds [~ 162 test (20.124223602484474%) started, 643 in queue, 48 running]
Running Test hbnet_energy_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbnet_energy_symm/command.sh
Finished ligand_motif_discovery in 22 seconds [~ 163 test (20.248447204968944%) started, 642 in queue, 48 running]
Running Test hbnet_energy_rosettascripts_linear
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbnet_energy_rosettascripts_linear/command.sh
Finished rna_denovo_new_FT_2in_dens in 105 seconds [~ 164 test (20.372670807453417%) started, 641 in queue, 48 running]
Running Test hbnet_energy
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbnet_energy/command.sh
Finished simple_cycpep_predict_tetrahedral_metal in 235 seconds [~ 165 test (20.496894409937887%) started, 640 in queue, 48 running]
Running Test glycopeptidedocking_diglyco_long
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycopeptidedocking_diglyco_long/command.sh
Finished mhc_epitope_nmer_preload in 48 seconds [~ 166 test (20.62111801242236%) started, 639 in queue, 48 running]
Running Test glycopeptidedocking
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycopeptidedocking/command.sh
Finished loop_grower_N_term_symm in 46 seconds [~ 167 test (20.74534161490683%) started, 638 in queue, 48 running]
Running Test glycomutagenesis
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycomutagenesis/command.sh
Finished rna_denovo_fragment_homology_exclusion in 117 seconds [~ 168 test (20.869565217391305%) started, 637 in queue, 48 running]
Finished netcharge_design_symm in 83 seconds [~ 168 test (20.869565217391305%) started, 637 in queue, 47 running]
Running Test glycan_sequon_scanner
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycan_sequon_scanner/command.sh
Running Test glycan_refinment
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycan_refinment/command.sh
Finished simple_metrics in 252 seconds [~ 170 test (21.11801242236025%) started, 635 in queue, 48 running]
Running Test glycan_anomers
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycan_anomers/command.sh
Finished mp_dock_ensemble in 76 seconds [~ 171 test (21.242236024844722%) started, 634 in queue, 48 running]
Running Test genkic_sugars
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_sugars/command.sh
Finished repeat_relax in 122 seconds [~ 172 test (21.366459627329192%) started, 633 in queue, 48 running]
Running Test ga_ligand_dock_macrocycle
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ga_ligand_dock_macrocycle/command.sh
Finished mhc_epitope in 60 seconds [~ 173 test (21.490683229813666%) started, 632 in queue, 48 running]
Running Test ga_ligand_dock_amino_acid
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ga_ligand_dock_amino_acid/command.sh
Finished interaction_graph_summary_metric in 55 seconds [~ 174 test (21.614906832298136%) started, 631 in queue, 48 running]
Running Test ga_ligand_dock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ga_ligand_dock/command.sh
Finished make_mainchain_potential in 63 seconds [~ 175 test (21.73913043478261%) started, 630 in queue, 48 running]
No correct command.sh file found for features_pdb_mpi. Skipping.
Running Test fold_from_loops
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fold_from_loops/command.sh
Finished ligand_dock_cholesterol in 64 seconds [~ 177 test (21.987577639751553%) started, 628 in queue, 48 running]
Running Test favor_coupling_tensor
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/favor_coupling_tensor/command.sh
Finished hydrate in 67 seconds [~ 178 test (22.111801242236027%) started, 627 in queue, 48 running]
Running Test fast_relax_scripts
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fast_relax_scripts/command.sh
Finished molfile_to_params_polymer in 98 seconds [~ 179 test (22.236024844720497%) started, 626 in queue, 48 running]
Running Test farnesyl
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/farnesyl/command.sh
Finished simple_cycpep_predict_trigonal_planar_metal in 279 seconds [~ 180 test (22.36024844720497%) started, 625 in queue, 48 running]
Running Test farfar_mrna
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/farfar_mrna/command.sh
Finished glycan_sequon_scanner in 34 seconds [~ 181 test (22.48447204968944%) started, 624 in queue, 48 running]
Running Test explicit_membrane
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/explicit_membrane/command.sh
Finished mp_domain_assembly in 106 seconds [~ 182 test (22.608695652173914%) started, 623 in queue, 48 running]
Running Test exclusively_shared_jumps
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/exclusively_shared_jumps/command.sh
Finished glycan_refinment in 37 seconds [~ 183 test (22.732919254658384%) started, 622 in queue, 48 running]
No correct command.sh file found for esm_model_perplexity. Skipping.
Running Test evolution
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/evolution/command.sh
Finished swm_dna_loop in 287 seconds [~ 185 test (22.981366459627328%) started, 620 in queue, 48 running]
Running Test enzscore_filter_metal_sym
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/enzscore_filter_metal_sym/command.sh
Finished mixed_monte_carlo in 95 seconds [~ 186 test (23.1055900621118%) started, 619 in queue, 48 running]
Running Test enzscore_filter_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/enzscore_filter_metal/command.sh
Finished homodimer_fnd_ref2015_memb in 73 seconds [~ 187 test (23.229813664596275%) started, 618 in queue, 48 running]
Running Test enzscore_filter_ligand
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/enzscore_filter_ligand/command.sh
Finished iphold in 81 seconds [~ 188 test (23.354037267080745%) started, 617 in queue, 48 running]
Running Test enzscore_filter_dimetal_sym
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/enzscore_filter_dimetal_sym/command.sh
Finished glycan_anomers in 44 seconds [~ 189 test (23.47826086956522%) started, 616 in queue, 48 running]
Running Test enzscore_filter_dimetal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/enzscore_filter_dimetal/command.sh
Finished simple_cycpep_predict_trigonal_pyramidal_metal in 307 seconds [~ 190 test (23.60248447204969%) started, 615 in queue, 48 running]
Running Test enumerative_sampling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/enumerative_sampling/command.sh
Finished voids_penalty_energy_design_symmetry in 317 seconds [~ 191 test (23.726708074534162%) started, 614 in queue, 48 running]
Running Test energy_based_clustering_alpha_aa_scorefile
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/energy_based_clustering_alpha_aa_scorefile/command.sh
Finished exclusively_shared_jumps in 33 seconds [~ 192 test (23.850931677018632%) started, 613 in queue, 48 running]
Running Test energy_based_clustering_alpha_aa_dihedral
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/energy_based_clustering_alpha_aa_dihedral/command.sh
Finished enzscore_filter_ligand in 30 seconds [~ 193 test (23.975155279503106%) started, 612 in queue, 48 running]
Running Test energy_based_clustering_alpha_aa_bin_analysis
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/energy_based_clustering_alpha_aa_bin_analysis/command.sh
Finished rna_denovo_new_libs in 199 seconds [~ 194 test (24.099378881987576%) started, 611 in queue, 48 running]
Running Test energy_based_clustering_alpha_aa
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/energy_based_clustering_alpha_aa/command.sh
Finished simple_metrics_per_residue in 322 seconds [~ 195 test (24.22360248447205%) started, 610 in queue, 48 running]
Running Test duplicate_header_guards
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/duplicate_header_guards/command.sh
Finished hbnet_energy_symm in 95 seconds [~ 196 test (24.347826086956523%) started, 609 in queue, 48 running]
Running Test drrafter_setup_simple
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_setup_simple/command.sh
Finished duplicate_header_guards in 1 seconds [~ 197 test (24.472049689440993%) started, 608 in queue, 48 running]
Finished drrafter_setup_simple in 0 seconds [~ 197 test (24.472049689440993%) started, 608 in queue, 47 running]
Running Test drrafter_setup_ribosome_test
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_setup_ribosome_test/command.sh
Running Test drrafter_setup_real_test_H_no_init
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_setup_real_test_H_no_init/command.sh
Finished enzscore_filter_metal in 38 seconds [~ 199 test (24.720496894409937%) started, 606 in queue, 48 running]
Running Test drrafter_setup_real_test_H
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_setup_real_test_H/command.sh
Finished enzscore_filter_metal_sym in 39 seconds [~ 200 test (24.84472049689441%) started, 605 in queue, 48 running]
Running Test drrafter_setup_protein_dock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_setup_protein_dock/command.sh
Finished netcharge_design in 162 seconds [~ 201 test (24.96894409937888%) started, 604 in queue, 48 running]
Running Test drrafter_setup_build_missing
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_setup_build_missing/command.sh
Finished drrafter_setup_protein_dock in 0 seconds [~ 202 test (25.093167701863354%) started, 603 in queue, 48 running]
Running Test drrafter_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_setup/command.sh
Finished drrafter_setup_build_missing in 0 seconds [~ 203 test (25.217391304347824%) started, 602 in queue, 48 running]
Running Test drrafter_run
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_run/command.sh
Finished drrafter_setup in 0 seconds [~ 204 test (25.341614906832298%) started, 601 in queue, 48 running]
Running Test drrafter_error_estimation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/drrafter_error_estimation/command.sh
Finished enzscore_filter_dimetal_sym in 40 seconds [~ 205 test (25.46583850931677%) started, 600 in queue, 48 running]
Running Test dihedral_constraint_generator
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/dihedral_constraint_generator/command.sh
Finished drrafter_setup_real_test_H_no_init in 6 seconds [~ 206 test (25.59006211180124%) started, 599 in queue, 48 running]
Running Test dgdp_script
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/dgdp_script/command.sh
Finished drrafter_setup_ribosome_test in 6 seconds [~ 207 test (25.714285714285715%) started, 598 in queue, 48 running]
Running Test dgdp_aio
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/dgdp_aio/command.sh
Finished energy_based_clustering_alpha_aa_dihedral in 14 seconds [~ 208 test (25.838509316770185%) started, 597 in queue, 48 running]
Finished drrafter_setup_real_test_H in 6 seconds [~ 208 test (25.838509316770185%) started, 597 in queue, 47 running]
Running Test design_w_custom_palette-RNA
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/design_w_custom_palette-RNA/command.sh
Running Test design_w_custom_palette-NCAAs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/design_w_custom_palette-NCAAs/command.sh
Finished energy_based_clustering_alpha_aa_bin_analysis in 13 seconds [~ 210 test (26.08695652173913%) started, 595 in queue, 48 running]
Running Test design_w_custom_palette-CAAs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/design_w_custom_palette-CAAs/command.sh
Finished drrafter_error_estimation in 5 seconds [~ 211 test (26.211180124223603%) started, 594 in queue, 48 running]
Running Test design_glycans
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/design_glycans/command.sh
Finished favor_coupling_tensor in 63 seconds [~ 212 test (26.335403726708076%) started, 593 in queue, 48 running]
Running Test dehydro_aa_patch
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/dehydro_aa_patch/command.sh
Finished enzscore_filter_dimetal in 37 seconds [~ 213 test (26.459627329192546%) started, 592 in queue, 48 running]
Running Test ddG_sym
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ddG_sym/command.sh
Finished energy_based_clustering_alpha_aa in 13 seconds [~ 214 test (26.58385093167702%) started, 591 in queue, 48 running]
Running Test database_md5
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/database_md5/command.sh
Finished fold_from_loops in 71 seconds [~ 215 test (26.70807453416149%) started, 590 in queue, 48 running]
Running Test cycpep_rigid_body_permutation_mover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cycpep_rigid_body_permutation_mover/command.sh
Finished energy_based_clustering_alpha_aa_scorefile in 20 seconds [~ 216 test (26.832298136645964%) started, 589 in queue, 48 running]
Running Test cycpep_rdkit_metric
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cycpep_rdkit_metric/command.sh
Finished polyaramid_test_trivial in 195 seconds [~ 217 test (26.956521739130434%) started, 588 in queue, 48 running]
Running Test cycpep_design_pipeline
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cycpep_design_pipeline/command.sh
Finished rosetta_scripts_jd3 in 286 seconds [~ 218 test (27.080745341614907%) started, 587 in queue, 48 running]
Running Test custom_basetype_packer_palette
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/custom_basetype_packer_palette/command.sh
Finished farfar_mrna in 69 seconds [~ 219 test (27.204968944099377%) started, 586 in queue, 48 running]
Running Test crosslinkermover_trigonal_pyramidal_c3_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_trigonal_pyramidal_c3_symm/command.sh
Finished enumerative_sampling in 48 seconds [~ 220 test (27.32919254658385%) started, 585 in queue, 48 running]
Running Test crosslinkermover_trigonal_pyramidal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_trigonal_pyramidal/command.sh
Finished ga_ligand_dock_amino_acid in 99 seconds [~ 221 test (27.453416149068325%) started, 584 in queue, 48 running]
Running Test crosslinkermover_trigonal_planar_c3_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_trigonal_planar_c3_symm/command.sh
Finished dihedral_constraint_generator in 31 seconds [~ 222 test (27.577639751552795%) started, 583 in queue, 48 running]
Running Test crosslinkermover_trigonal_planar
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_trigonal_planar/command.sh
Finished design_w_custom_palette-RNA in 31 seconds [~ 223 test (27.70186335403727%) started, 582 in queue, 48 running]
Running Test crosslinkermover_tma_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_tma_symm/command.sh
Finished dehydro_aa_patch in 31 seconds [~ 224 test (27.82608695652174%) started, 581 in queue, 48 running]
Running Test crosslinkermover_tma
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_tma/command.sh
Finished mp_domain_assembly_FtsQ in 194 seconds [~ 225 test (27.950310559006212%) started, 580 in queue, 48 running]
Running Test crosslinkermover_thioether
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_thioether/command.sh
Finished genkic_sugars in 125 seconds [~ 226 test (28.074534161490682%) started, 579 in queue, 48 running]
Running Test crosslinkermover_tetrahedral_metal_d2_symmetry
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_tetrahedral_metal_d2_symmetry/command.sh
Finished database_md5 in 46 seconds [~ 227 test (28.198757763975156%) started, 578 in queue, 48 running]
Running Test crosslinkermover_tetrahedral_metal_c2_symmetry
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_tetrahedral_metal_c2_symmetry/command.sh
Finished custom_basetype_packer_palette in 34 seconds [~ 228 test (28.322981366459626%) started, 577 in queue, 48 running]
Running Test crosslinkermover_tetrahedral_metal_asp
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_tetrahedral_metal_asp/command.sh
Finished design_w_custom_palette-CAAs in 55 seconds [~ 229 test (28.4472049689441%) started, 576 in queue, 48 running]
Running Test crosslinkermover_tetrahedral_metal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_tetrahedral_metal/command.sh
Finished design_w_custom_palette-NCAAs in 58 seconds [~ 230 test (28.571428571428573%) started, 575 in queue, 48 running]
Running Test crosslinkermover_square_pyramidal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_square_pyramidal/command.sh
Finished hydrate_relax in 186 seconds [~ 231 test (28.695652173913043%) started, 574 in queue, 48 running]
Running Test crosslinkermover_square_planar_d2_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_square_planar_d2_symm/command.sh
Finished crosslinkermover_trigonal_pyramidal_c3_symm in 49 seconds [~ 232 test (28.819875776397517%) started, 573 in queue, 48 running]
Running Test crosslinkermover_square_planar
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_square_planar/command.sh
Finished evolution in 117 seconds [~ 233 test (28.944099378881987%) started, 572 in queue, 48 running]
Running Test crosslinkermover_octahedral_s2_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_octahedral_s2_symm/command.sh
Finished crosslinkermover_trigonal_planar_c3_symm in 47 seconds [~ 234 test (29.06832298136646%) started, 571 in queue, 48 running]
Running Test crosslinkermover_octahedral
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_octahedral/command.sh
Finished crosslinkermover_thioether in 36 seconds [~ 235 test (29.19254658385093%) started, 570 in queue, 48 running]
Running Test crosslinkermover_methyllanthionine
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_methyllanthionine/command.sh
Finished job_definition_script_vars in 202 seconds [~ 236 test (29.316770186335404%) started, 569 in queue, 48 running]
Running Test crosslinkermover_lanthionine
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_lanthionine/command.sh
Finished crosslinkermover_trigonal_planar in 55 seconds [~ 237 test (29.440993788819874%) started, 568 in queue, 48 running]
Running Test crosslinkermover_1_4_bbmb_s2_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_1_4_bbmb_s2_symm/command.sh
Finished crosslinkermover_trigonal_pyramidal in 59 seconds [~ 238 test (29.565217391304348%) started, 567 in queue, 48 running]
Running Test crosslinkermover_1_4_bbmb_c2_symmetry
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_1_4_bbmb_c2_symmetry/command.sh
Finished crosslinkermover_tetrahedral_metal_asp in 37 seconds [~ 239 test (29.68944099378882%) started, 566 in queue, 48 running]
Running Test crosslinkermover_1_4_bbmb_asymm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crosslinkermover_1_4_bbmb_asymm/command.sh
Finished crosslinkermover_tetrahedral_metal in 32 seconds [~ 240 test (29.81366459627329%) started, 565 in queue, 48 running]
Running Test create_sequence_motif
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/create_sequence_motif/command.sh
Finished swm_rna_base_pair_constraints in 422 seconds [~ 241 test (29.937888198757765%) started, 564 in queue, 48 running]
Running Test create_clash-based_repack_shell
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/create_clash-based_repack_shell/command.sh
Finished helical_bundle_predict in 204 seconds [~ 242 test (30.062111801242235%) started, 563 in queue, 48 running]
Running Test crankshaft_flip
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crankshaft_flip/command.sh
Finished cycpep_rdkit_metric in 91 seconds [~ 243 test (30.18633540372671%) started, 562 in queue, 48 running]
Running Test count_cycpep_sequences
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/count_cycpep_sequences/command.sh
Finished cycpep_design_pipeline in 90 seconds [~ 244 test (30.31055900621118%) started, 561 in queue, 48 running]
Running Test control_flow_rs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/control_flow_rs/command.sh
Finished explicit_membrane in 149 seconds [~ 245 test (30.434782608695652%) started, 560 in queue, 48 running]
Running Test constraints_metric
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/constraints_metric/command.sh
Finished voids_penalty_energy_design in 434 seconds [~ 246 test (30.559006211180126%) started, 559 in queue, 48 running]
Running Test coenzymes
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/coenzymes/command.sh
Finished helical_bundle_predict_sequence in 218 seconds [~ 247 test (30.683229813664596%) started, 558 in queue, 48 running]
Running Test code_template_tests_citations
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/code_template_tests_citations/command.sh
Finished swm_dna_bridge in 438 seconds [~ 248 test (30.80745341614907%) started, 557 in queue, 48 running]
Running Test coarse_rna_scoring
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/coarse_rna_scoring/command.sh
‘database/citations/rosetta_citations.txt’ -> ‘database/citations/rosetta_citations.original.txt’
First script ran successfully.
Second script ran successfully.
Output matches expectation.
Finished code_template_tests_citations in 6 seconds [~ 249 test (30.93167701863354%) started, 556 in queue, 48 running]
Running Test cmaes_minimizer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cmaes_minimizer/command.sh
Finished crosslinkermover_lanthionine in 35 seconds [~ 250 test (31.055900621118013%) started, 555 in queue, 48 running]
Running Test cleanAlignment
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cleanAlignment/command.sh
Finished glycomutagenesis in 198 seconds [~ 251 test (31.180124223602483%) started, 554 in queue, 48 running]
Running Test cl_complex_rescore
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cl_complex_rescore/command.sh
Finished coenzymes in 12 seconds [~ 252 test (31.304347826086957%) started, 553 in queue, 48 running]
Running Test ccd_ends_graft_mover_rs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ccd_ends_graft_mover_rs/command.sh
Finished helical_bundle_predict_skipping_residues in 232 seconds [~ 253 test (31.428571428571427%) started, 552 in queue, 48 running]
Running Test case_sensitive_filenames
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/case_sensitive_filenames/command.sh
Finished helical_bundle_predict_psipred_with_helix_globals in 233 seconds [~ 254 test (31.5527950310559%) started, 551 in queue, 48 running]
Running Test cartesianddg
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cartesianddg/command.sh
Finished crosslinkermover_methyllanthionine in 43 seconds [~ 255 test (31.677018633540374%) started, 550 in queue, 48 running]
Running Test cart_min_glycans
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cart_min_glycans/command.sh
Finished farnesyl in 177 seconds [~ 256 test (31.801242236024844%) started, 549 in queue, 48 running]
Finished cycpep_rigid_body_permutation_mover in 120 seconds [~ 256 test (31.801242236024844%) started, 549 in queue, 47 running]
Running Test buried_unsat_voids_hbnet_design_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/buried_unsat_voids_hbnet_design_symm/command.sh
Running Test buried_unsat_voids_hbnet_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/buried_unsat_voids_hbnet_design/command.sh
/usr/local/bin/git
8b55183273bf7e7b764cac8c799ce3326cd01121
Finished case_sensitive_filenames in 5 seconds [~ 258 test (32.04968944099379%) started, 547 in queue, 48 running]
Running Test burial_measure_centroid
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/burial_measure_centroid/command.sh
Finished create_sequence_motif in 35 seconds [~ 259 test (32.17391304347826%) started, 546 in queue, 48 running]
No correct command.sh file found for bcl_fragment_mutate. Skipping.
No correct command.sh file found for basic_gcn_tensorflow_test. Skipping.
Running Test blob_finder
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/blob_finder/command.sh
Finished burial_measure_centroid in 0 seconds [~ 262 test (32.546583850931675%) started, 543 in queue, 48 running]
Running Test balancedKIC
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/balancedKIC/command.sh
Finished create_clash-based_repack_shell in 36 seconds [~ 263 test (32.67080745341615%) started, 542 in queue, 48 running]
Running Test autosetup_metals_centroid
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/autosetup_metals_centroid/command.sh
Finished cl_complex_rescore in 14 seconds [~ 264 test (32.79503105590062%) started, 541 in queue, 48 running]
Running Test auto-drrafter_setup_run_R3
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/auto-drrafter_setup_run_R3/command.sh
Finished cmaes_minimizer in 20 seconds [~ 265 test (32.91925465838509%) started, 540 in queue, 48 running]
Running Test auto-drrafter_setup_run_R2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/auto-drrafter_setup_run_R2/command.sh
Finished hbnet_energy_rosettascripts_linear in 237 seconds [~ 266 test (33.04347826086956%) started, 539 in queue, 48 running]
Running Test auto-drrafter_setup_run_R1
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/auto-drrafter_setup_run_R1/command.sh
Finished cartesianddg in 17 seconds [~ 267 test (33.16770186335404%) started, 538 in queue, 48 running]
Running Test auto-drrafter_final_results
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/auto-drrafter_final_results/command.sh
Finished rnp_ddg_calc_wt in 388 seconds [~ 268 test (33.29192546583851%) started, 537 in queue, 48 running]
Running Test antibody_designer_xml
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/antibody_designer_xml/command.sh
Finished helical_bundle_predict_psipred in 252 seconds [~ 269 test (33.41614906832298%) started, 536 in queue, 48 running]
No correct command.sh file found for antibody_cc. Skipping.
Running Test antibody_designer_camelid
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/antibody_designer_camelid/command.sh
Finished rna_denovo_lariat in 346 seconds [~ 271 test (33.66459627329193%) started, 534 in queue, 48 running]
No correct command.sh file found for abinitio_with_trRosetta. Skipping.
Running Test ambiguous_nmr_distance_constraint
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ambiguous_nmr_distance_constraint/command.sh
Finished blob_finder in 19 seconds [~ 273 test (33.91304347826087%) started, 532 in queue, 48 running]
Running Test SSElementSelector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SSElementSelector/command.sh
Finished coarse_rna_scoring in 38 seconds [~ 274 test (34.037267080745345%) started, 531 in queue, 48 running]
Running Test SID_rescore
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SID_rescore/command.sh
Finished rna_denovo_dna_bridge in 349 seconds [~ 275 test (34.161490683229815%) started, 530 in queue, 48 running]
Running Test SID_ERMS_prediction
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SID_ERMS_prediction/command.sh
Encounter error while executing: ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SID_ERMS_prediction/command.sh
*** Test SID_ERMS_prediction did not run! Check your --mode flag and paths. [2025-03-10 13:23:49.698046]
Finished SID_ERMS_prediction in 0 seconds [~ 276 test (34.285714285714285%) started, 529 in queue, 48 running]
Running Test SID_ERMS_Rescore
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SID_ERMS_Rescore/command.sh
Encounter error while executing: ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SID_ERMS_Rescore/command.sh
*** Test SID_ERMS_Rescore did not run! Check your --mode flag and paths. [2025-03-10 13:23:50.293827]
Finished SID_ERMS_Rescore in 0 seconds [~ 277 test (34.409937888198755%) started, 528 in queue, 48 running]
Running Test RunSimpleMetric_b_factor_test
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/RunSimpleMetric_b_factor_test/command.sh
Finished autosetup_metals_centroid in 32 seconds [~ 278 test (34.53416149068323%) started, 527 in queue, 48 running]
Running Test ResidueDisorder
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ResidueDisorder/command.sh
Finished constraints_metric in 61 seconds [~ 279 test (34.6583850931677%) started, 526 in queue, 48 running]
No correct command.sh file found for PTMPrediction. Skipping.
Running Test PolarDesign2019
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/PolarDesign2019/command.sh
Finished SID_rescore in 17 seconds [~ 281 test (34.90683229813665%) started, 524 in queue, 48 running]
Running Test N-terminal_acetylation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/N-terminal_acetylation/command.sh
Finished crosslinkermover_1_4_bbmb_c2_symmetry in 81 seconds [~ 282 test (35.03105590062112%) started, 523 in queue, 48 running]
Running Test InterfaceAnalyzer_metrics
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer_metrics/command.sh
Finished N-terminal_acetylation in 5 seconds [~ 283 test (35.15527950310559%) started, 522 in queue, 48 running]
Running Test InterfaceAnalyzer_ligand
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer_ligand/command.sh
Finished hbnet_energy in 267 seconds [~ 284 test (35.27950310559006%) started, 521 in queue, 48 running]
Running Test HDXEnergy
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/HDXEnergy/command.sh
Finished ResidueDisorder in 9 seconds [~ 285 test (35.40372670807454%) started, 520 in queue, 48 running]
Running Test FavorSequenceProfileMover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/FavorSequenceProfileMover/command.sh
Finished ambiguous_nmr_distance_constraint in 29 seconds [~ 286 test (35.52795031055901%) started, 519 in queue, 48 running]
Running Test DumpTrajectoryEnergy_packing
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/DumpTrajectoryEnergy_packing/command.sh
Finished SSElementSelector in 30 seconds [~ 287 test (35.65217391304348%) started, 518 in queue, 48 running]
Running Test DumpTrajectoryEnergy
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/DumpTrajectoryEnergy/command.sh
Finished cart_min_glycans in 58 seconds [~ 288 test (35.77639751552795%) started, 517 in queue, 48 running]
Running Test DNA_methylation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/DNA_methylation/command.sh
Finished auto-drrafter_final_results in 42 seconds [~ 289 test (35.900621118012424%) started, 516 in queue, 48 running]
Running Test ContactMolecularSurface
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ContactMolecularSurface/command.sh
Finished balancedKIC in 57 seconds [~ 290 test (36.024844720496894%) started, 515 in queue, 48 running]
Running Test CCS_PARCS
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/CCS_PARCS/command.sh
Finished antibody_designer_camelid in 42 seconds [~ 291 test (36.149068322981364%) started, 514 in queue, 48 running]
Running Test BFactorSelector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/BFactorSelector/command.sh
Finished crankshaft_flip in 89 seconds [~ 292 test (36.27329192546584%) started, 513 in queue, 48 running]
Running Test AlignPDBInfoToSequences
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/AlignPDBInfoToSequences/command.sh
Finished InterfaceAnalyzer_ligand in 17 seconds [~ 293 test (36.39751552795031%) started, 512 in queue, 48 running]
Running Test mm_params
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mm_params/command.sh
Finished DNA_methylation in 6 seconds [~ 294 test (36.52173913043478%) started, 511 in queue, 48 running]
Running Test add_helix_sequence_constraints
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/add_helix_sequence_constraints/command.sh
Finished CCS_PARCS in 4 seconds [~ 295 test (36.64596273291925%) started, 510 in queue, 48 running]
Running Test autoNOE_rosetta
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/autoNOE_rosetta/command.sh
Finished RunSimpleMetric_b_factor_test in 39 seconds [~ 296 test (36.77018633540373%) started, 509 in queue, 48 running]
Running Test bundlegridsampler_composition_energy
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_composition_energy/command.sh
Finished cleanAlignment in 75 seconds [~ 297 test (36.8944099378882%) started, 508 in queue, 48 running]
Running Test ligand_dock_ensemble
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_dock_ensemble/command.sh
Finished ga_ligand_dock_macrocycle in 273 seconds [~ 298 test (37.01863354037267%) started, 507 in queue, 48 running]
Running Test add_helix_sequence_constraints_advanced_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/add_helix_sequence_constraints_advanced_setup/command.sh
Finished crosslinkermover_octahedral_s2_symm in 127 seconds [~ 299 test (37.142857142857146%) started, 506 in queue, 48 running]
Running Test antibody_designer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/antibody_designer/command.sh
Finished FavorSequenceProfileMover in 30 seconds [~ 300 test (37.267080745341616%) started, 505 in queue, 48 running]
Running Test glycan_tree_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycan_tree_relax/command.sh
Finished crosslinkermover_square_planar_d2_symm in 138 seconds [~ 301 test (37.391304347826086%) started, 504 in queue, 48 running]
Running Test ppi_v3_suiteC
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppi_v3_suiteC/command.sh
Finished DumpTrajectoryEnergy in 30 seconds [~ 302 test (37.515527950310556%) started, 503 in queue, 48 running]
Running Test swa_rna_erraser
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_erraser/command.sh
Finished DumpTrajectoryEnergy_packing in 33 seconds [~ 303 test (37.63975155279503%) started, 502 in queue, 48 running]
Running Test swm_rna_srl_triplet
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_srl_triplet/command.sh
Finished crosslinkermover_tma_symm in 178 seconds [~ 304 test (37.7639751552795%) started, 501 in queue, 48 running]
Running Test dna_interface_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/dna_interface_design/command.sh
Finished InterfaceAnalyzer_metrics in 44 seconds [~ 305 test (37.88819875776397%) started, 500 in queue, 48 running]
Running Test ppi_v3_suiteF
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppi_v3_suiteF/command.sh
Finished drrafter_run in 215 seconds [~ 306 test (38.01242236024845%) started, 499 in queue, 48 running]
Running Test validate_database
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/validate_database/command.sh
Finished ContactMolecularSurface in 33 seconds [~ 307 test (38.13664596273292%) started, 498 in queue, 48 running]
Running Test ddG_of_mutation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ddG_of_mutation/command.sh
Finished crosslinkermover_tetrahedral_metal_c2_symmetry in 164 seconds [~ 308 test (38.26086956521739%) started, 497 in queue, 48 running]
Running Test swa_protein_loop_sampler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_protein_loop_sampler/command.sh
Finished BFactorSelector in 33 seconds [~ 309 test (38.38509316770186%) started, 496 in queue, 48 running]
Running Test composition_energy_layers
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/composition_energy_layers/command.sh
Finished HDXEnergy in 52 seconds [~ 310 test (38.50931677018634%) started, 495 in queue, 48 running]
Running Test pertmin
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pertmin/command.sh
Finished count_cycpep_sequences in 126 seconds [~ 311 test (38.63354037267081%) started, 494 in queue, 48 running]
Running Test bundlegridsampler_composition_energy_fract_range
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_composition_energy_fract_range/command.sh
Finished mm_params in 44 seconds [~ 312 test (38.75776397515528%) started, 493 in queue, 48 running]
Running Test fiber_diffraction
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fiber_diffraction/command.sh
Finished buried_unsat_voids_hbnet_design in 106 seconds [~ 313 test (38.88198757763975%) started, 492 in queue, 48 running]
Running Test simple_cycpep_predict
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict/command.sh
Finished design_glycans in 231 seconds [~ 314 test (39.006211180124225%) started, 491 in queue, 48 running]
Running Test swa_protein_combine_loops
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_protein_combine_loops/command.sh
Finished glycopeptidedocking in 323 seconds [~ 315 test (39.130434782608695%) started, 490 in queue, 48 running]
Running Test bundlegridsampler_copy_pitch
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_copy_pitch/command.sh
Finished control_flow_rs in 150 seconds [~ 316 test (39.254658385093165%) started, 489 in queue, 48 running]
Running Test hotspot_hashing
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hotspot_hashing/command.sh
Finished crosslinkermover_tetrahedral_metal_d2_symmetry in 206 seconds [~ 317 test (39.37888198757764%) started, 488 in queue, 48 running]
Running Test coupled_moves
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/coupled_moves/command.sh
Finished AlignPDBInfoToSequences in 91 seconds [~ 318 test (39.50310559006211%) started, 487 in queue, 48 running]
Running Test app_exception_handling
ulimit -t 7200 && bash /home/benchmark/rosetta/tests/integration/new/app_exception_handling/command.sh
Finished crosslinkermover_1_4_bbmb_s2_symm in 200 seconds [~ 319 test (39.62732919254658%) started, 486 in queue, 48 running]
Running Test rna_denovo_base_pair_constraints
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_base_pair_constraints/command.sh
Finished ga_ligand_dock in 356 seconds [~ 320 test (39.75155279503105%) started, 485 in queue, 48 running]
Finished crosslinkermover_1_4_bbmb_asymm in 200 seconds [~ 320 test (39.75155279503105%) started, 485 in queue, 47 running]
Running Test motif_dna_packer_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/motif_dna_packer_design/command.sh
Running Test simple_cycpep_predict_anglelength
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_anglelength/command.sh
Finished crosslinkermover_square_pyramidal in 231 seconds [~ 322 test (40.0%) started, 483 in queue, 48 running]
Running Test nonideal_rtmin
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/nonideal_rtmin/command.sh
Finished fast_relax_scripts in 353 seconds [~ 323 test (40.12422360248447%) started, 482 in queue, 48 running]
Running Test mirror_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mirror_symm/command.sh
Finished crosslinkermover_square_planar in 233 seconds [~ 324 test (40.24844720496895%) started, 481 in queue, 48 running]
Running Test simple_cycpep_predict_angle
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_angle/command.sh
Finished swa_rna_erraser in 102 seconds [~ 325 test (40.37267080745342%) started, 480 in queue, 48 running]
Running Test simple_cycpep_predict_cartesian
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_cartesian/command.sh
Finished rnp_ddg_calc_mut in 530 seconds [~ 326 test (40.49689440993789%) started, 479 in queue, 48 running]
Running Test fiber_diffraction_fad
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fiber_diffraction_fad/command.sh
Finished auto-drrafter_setup_run_R3 in 185 seconds [~ 327 test (40.62111801242236%) started, 478 in queue, 48 running]
Running Test rna_puzzle12_P5P6P7_DMS
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_puzzle12_P5P6P7_DMS/command.sh
Finished rnp_ddg_relax_command_2 in 586 seconds [~ 328 test (40.745341614906835%) started, 477 in queue, 48 running]
Running Test ddG_ensemble
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ddG_ensemble/command.sh
Finished ddG_sym in 317 seconds [~ 329 test (40.869565217391305%) started, 476 in queue, 48 running]
Running Test SnugDock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SnugDock/command.sh
Finished autoNOE_rosetta in 135 seconds [~ 330 test (40.993788819875775%) started, 475 in queue, 48 running]
Running Test rs_loophash
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rs_loophash/command.sh
Finished swa_protein_combine_loops in 119 seconds [~ 331 test (41.11801242236025%) started, 474 in queue, 48 running]
Running Test hbnet_asymm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbnet_asymm/command.sh
Finished swa_protein_loop_sampler in 150 seconds [~ 332 test (41.24223602484472%) started, 473 in queue, 48 running]
Running Test swa_protein_CCDclose
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_protein_CCDclose/command.sh
Finished simple_cycpep_predict in 145 seconds [~ 333 test (41.36645962732919%) started, 472 in queue, 48 running]
Running Test stepwise_lores
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/stepwise_lores/command.sh
Finished buried_unsat_voids_hbnet_design_symm in 253 seconds [~ 334 test (41.49068322981366%) started, 471 in queue, 48 running]
Running Test rosetta_scripts_loops
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rosetta_scripts_loops/command.sh
Encounter error while executing: ulimit -t 7200 && bash /home/benchmark/rosetta/tests/integration/new/app_exception_handling/command.sh
*** Test app_exception_handling did not run! Check your --mode flag and paths. [2025-03-10 13:27:39.873137]
Finished app_exception_handling in 102 seconds [~ 335 test (41.61490683229814%) started, 470 in queue, 48 running]
Running Test flexpepdock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/flexpepdock/command.sh
Finished antibody_designer_xml in 240 seconds [~ 336 test (41.73913043478261%) started, 469 in queue, 48 running]
Running Test simple_glycosylation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_glycosylation/command.sh
Finished crosslinkermover_tma in 355 seconds [~ 337 test (41.86335403726708%) started, 468 in queue, 48 running]
Running Test simple_cycpep_predict_tbmb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_tbmb/command.sh
Finished stepwise_lores in 21 seconds [~ 338 test (41.98757763975155%) started, 467 in queue, 48 running]
Running Test simple_cycpep_predict_setting
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_setting/command.sh
Finished dna_interface_design in 187 seconds [~ 339 test (42.11180124223603%) started, 466 in queue, 48 running]
Running Test glycan_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycan_relax/command.sh
Finished PolarDesign2019 in 250 seconds [~ 340 test (42.2360248447205%) started, 465 in queue, 48 running]
Running Test swa_rna_gagu_09_sample_virtual_ribose
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_09_sample_virtual_ribose/command.sh
Finished simple_cycpep_predict_angle in 116 seconds [~ 341 test (42.36024844720497%) started, 464 in queue, 48 running]
Running Test vip
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/vip/command.sh
Finished antibody_designer in 224 seconds [~ 342 test (42.484472049689444%) started, 463 in queue, 48 running]
Running Test d_workflow
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/d_workflow/command.sh
Finished motif_dna_packer_design in 137 seconds [~ 343 test (42.608695652173914%) started, 462 in queue, 48 running]
Running Test test1_benchmark
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/test1_benchmark/command.sh
Finished bundlegridsampler_composition_energy_fract_range in 212 seconds [~ 344 test (42.732919254658384%) started, 461 in queue, 48 running]
Running Test splice_in_4loops_shorter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_in_4loops_shorter/command.sh
Finished rna_puzzle12_P5P6P7_DMS in 133 seconds [~ 345 test (42.857142857142854%) started, 460 in queue, 48 running]
Running Test match_6cpa
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/match_6cpa/command.sh
Finished pertmin in 235 seconds [~ 346 test (42.98136645962733%) started, 459 in queue, 48 running]
Running Test LoopAnalyzer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/LoopAnalyzer/command.sh
Finished simple_cycpep_predict_cartesian in 152 seconds [~ 347 test (43.1055900621118%) started, 458 in queue, 48 running]
Running Test perturb_helical_bundle_copying_pitch
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/perturb_helical_bundle_copying_pitch/command.sh
Finished mirror_symm in 165 seconds [~ 348 test (43.22981366459627%) started, 457 in queue, 48 running]
Running Test antibody_H3
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/antibody_H3/command.sh
Finished simple_cycpep_predict_setting in 68 seconds [~ 349 test (43.35403726708075%) started, 456 in queue, 48 running]
Running Test ligand_water_docking
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_water_docking/command.sh
Finished auto-drrafter_setup_run_R1 in 337 seconds [~ 350 test (43.47826086956522%) started, 455 in queue, 48 running]
Running Test cyclization
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cyclization/command.sh
Finished simple_cycpep_predict_anglelength in 191 seconds [~ 351 test (43.60248447204969%) started, 454 in queue, 48 running]
Running Test relax_w_allatom_cst
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/relax_w_allatom_cst/command.sh
Finished rs_loophash in 159 seconds [~ 352 test (43.72670807453416%) started, 453 in queue, 48 running]
Running Test mr_protocols
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mr_protocols/command.sh
Finished hbnet_asymm in 133 seconds [~ 353 test (43.850931677018636%) started, 452 in queue, 48 running]
Running Test hbnet
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbnet/command.sh
Finished fiber_diffraction_fad in 178 seconds [~ 354 test (43.975155279503106%) started, 451 in queue, 48 running]
Running Test supercharge
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/supercharge/command.sh
Finished bundlegridsampler_copy_pitch in 256 seconds [~ 355 test (44.099378881987576%) started, 450 in queue, 48 running]
Running Test glycosylation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycosylation/command.sh
Finished composition_energy_layers in 277 seconds [~ 356 test (44.22360248447205%) started, 449 in queue, 48 running]
Running Test hybridization
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hybridization/command.sh
Finished crosslinkermover_octahedral in 426 seconds [~ 357 test (44.34782608695652%) started, 448 in queue, 48 running]
Running Test AnchorFinder
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/AnchorFinder/command.sh
Finished glycopeptidedocking_diglyco_long in 599 seconds [~ 358 test (44.47204968944099%) started, 447 in queue, 48 running]
Finished ppi_v3_suiteF in 292 seconds [~ 358 test (44.47204968944099%) started, 447 in queue, 47 running]
Finished glycosylation in 11 seconds [~ 358 test (44.47204968944099%) started, 447 in queue, 46 running]
Running Test rna_puzzle5_p2_GAAA_mini
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_puzzle5_p2_GAAA_mini/command.sh
Running Test rna_denovo
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo/command.sh
Running Test jd2test_mmCIFin_PDBout
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/jd2test_mmCIFin_PDBout/command.sh
Finished splice_in_4loops_shorter in 73 seconds [~ 361 test (44.84472049689441%) started, 444 in queue, 48 running]
Running Test jd2test_mmCIFIO
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/jd2test_mmCIFIO/command.sh
Finished dgdp_aio in 514 seconds [~ 362 test (44.96894409937888%) started, 443 in queue, 48 running]
Running Test hts_io
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hts_io/command.sh
Finished auto-drrafter_setup_run_R2 in 392 seconds [~ 363 test (45.09316770186335%) started, 442 in queue, 48 running]
Running Test secondary_structure_output
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/secondary_structure_output/command.sh
Finished rna_puzzle5_p2_GAAA_mini in 23 seconds [~ 364 test (45.21739130434783%) started, 441 in queue, 48 running]
Running Test rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation/command.sh
Finished hotspot_hashing in 277 seconds [~ 365 test (45.3416149068323%) started, 440 in queue, 48 running]
Running Test mp_symdock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_symdock/command.sh
Finished match_6cpa in 86 seconds [~ 366 test (45.46583850931677%) started, 439 in queue, 48 running]
Running Test swa_protein_prepack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_protein_prepack/command.sh
Finished ccd_ends_graft_mover_rs in 421 seconds [~ 367 test (45.590062111801245%) started, 438 in queue, 48 running]
Finished simple_cycpep_predict_tbmb in 147 seconds [~ 367 test (45.590062111801245%) started, 438 in queue, 47 running]
Running Test range_relax_w_cst
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/range_relax_w_cst/command.sh
Running Test generate_6Dloopclose
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/generate_6Dloopclose/command.sh
Finished AnchorFinder in 50 seconds [~ 369 test (45.838509316770185%) started, 436 in queue, 48 running]
Running Test splice_in_4loops_longer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_in_4loops_longer/command.sh
Finished validate_database in 342 seconds [~ 370 test (45.962732919254655%) started, 435 in queue, 48 running]
Running Test ligand_dock_script
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_dock_script/command.sh
Finished ppi_v3_suiteC in 363 seconds [~ 371 test (46.08695652173913%) started, 434 in queue, 48 running]
Running Test ligand_database_io
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_database_io/command.sh
Finished flexpepdock in 190 seconds [~ 372 test (46.2111801242236%) started, 433 in queue, 48 running]
Running Test remodel_disulfides_rosettascripts
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/remodel_disulfides_rosettascripts/command.sh
Finished add_helix_sequence_constraints_advanced_setup in 374 seconds [~ 373 test (46.33540372670807%) started, 432 in queue, 48 running]
Running Test splice_out_L1_L2_shorter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_L1_L2_shorter/command.sh
Finished swa_rna_gagu_09_sample_virtual_ribose in 169 seconds [~ 374 test (46.45962732919255%) started, 431 in queue, 48 running]
Running Test ppi_v3_suiteB
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppi_v3_suiteB/command.sh
Finished perturb_helical_bundle_copying_pitch in 133 seconds [~ 375 test (46.58385093167702%) started, 430 in queue, 48 running]
Running Test swm_build_full_model
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_build_full_model/command.sh
Finished swm_rna_srl_triplet in 386 seconds [~ 376 test (46.70807453416149%) started, 429 in queue, 48 running]
Running Test swa_protein_cluster
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_protein_cluster/command.sh
Finished d_workflow in 173 seconds [~ 377 test (46.83229813664596%) started, 428 in queue, 48 running]
Running Test sdf_reader
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sdf_reader/command.sh
Finished dgdp_script in 602 seconds [~ 378 test (46.95652173913044%) started, 427 in queue, 48 running]
Running Test splice_out_H1_H2_longer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_H1_H2_longer/command.sh
Finished secondary_structure_output in 80 seconds [~ 379 test (47.08074534161491%) started, 426 in queue, 48 running]
Running Test UBQ_E2_thioester_extra_bodies
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/UBQ_E2_thioester_extra_bodies/command.sh
Finished LoopAnalyzer in 150 seconds [~ 380 test (47.20496894409938%) started, 425 in queue, 48 running]
Running Test mp_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_relax/command.sh
Finished swa_protein_cluster in 15 seconds [~ 381 test (47.32919254658385%) started, 424 in queue, 48 running]
Running Test match_1n9l
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/match_1n9l/command.sh
Finished hbnet in 125 seconds [~ 382 test (47.453416149068325%) started, 423 in queue, 48 running]
Running Test bundlegridsampler_epsilon
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_epsilon/command.sh
Finished bundlegridsampler_composition_energy in 423 seconds [~ 383 test (47.577639751552795%) started, 422 in queue, 48 running]
Running Test PDB_diagnostic
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/PDB_diagnostic/command.sh
Finished splice_in_4loops_longer in 64 seconds [~ 384 test (47.701863354037265%) started, 421 in queue, 48 running]
Running Test symm_disulfidize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/symm_disulfidize/command.sh
Finished splice_out_L1_L2_shorter in 45 seconds [~ 385 test (47.82608695652174%) started, 420 in queue, 48 running]
Running Test splice_out_H1_H2_shorter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_H1_H2_shorter/command.sh
Finished hts_io in 107 seconds [~ 386 test (47.95031055900621%) started, 419 in queue, 48 running]
Running Test splice_out_H1_H2_same
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_H1_H2_same/command.sh
Finished rna_denovo in 119 seconds [~ 387 test (48.07453416149068%) started, 418 in queue, 48 running]
Finished swm_build_full_model in 30 seconds [~ 387 test (48.07453416149068%) started, 418 in queue, 47 running]
Running Test fast_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fast_relax/command.sh
Running Test enzdes
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/enzdes/command.sh
Finished mp_f19_relax in 777 seconds [~ 389 test (48.32298136645963%) started, 416 in queue, 48 running]
Running Test batch_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/batch_relax/command.sh
Finished ddG_ensemble in 305 seconds [~ 390 test (48.4472049689441%) started, 415 in queue, 48 running]
Running Test kinemage_grid_output
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/kinemage_grid_output/command.sh
Finished generate_6Dloopclose in 92 seconds [~ 391 test (48.57142857142857%) started, 414 in queue, 48 running]
Running Test remodel_helical_repeat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/remodel_helical_repeat/command.sh
Finished hybridization in 139 seconds [~ 392 test (48.69565217391305%) started, 413 in queue, 48 running]
Running Test threefold_symm_peptide_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/threefold_symm_peptide_design/command.sh
Finished ligand_water_docking in 170 seconds [~ 393 test (48.81987577639752%) started, 412 in queue, 48 running]
Running Test rna_denovo_RNP_low_res
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_RNP_low_res/command.sh
Finished mp_symdock in 109 seconds [~ 394 test (48.94409937888199%) started, 411 in queue, 48 running]
Running Test KIC_with_fragments
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/KIC_with_fragments/command.sh
Finished vip in 222 seconds [~ 395 test (49.06832298136646%) started, 410 in queue, 48 running]
Running Test splice_out_L1_L2_same
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_L1_L2_same/command.sh
Finished simple_cycpep_predict_square_pyramidal_metal in 972 seconds [~ 396 test (49.192546583850934%) started, 409 in queue, 48 running]
Running Test hshash_utils
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hshash_utils/command.sh
Finished PDB_diagnostic in 33 seconds [~ 397 test (49.316770186335404%) started, 408 in queue, 48 running]
Running Test ppi_v3_suiteE
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppi_v3_suiteE/command.sh
Finished add_helix_sequence_constraints in 465 seconds [~ 398 test (49.440993788819874%) started, 407 in queue, 48 running]
Finished coupled_moves in 396 seconds [~ 398 test (49.440993788819874%) started, 407 in queue, 47 running]
Running Test thermal_sampler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/thermal_sampler/command.sh
Running Test AlterSpecDisruption
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/AlterSpecDisruption/command.sh
Finished mr_protocols in 171 seconds [~ 400 test (49.68944099378882%) started, 405 in queue, 48 running]
Running Test ppi_v3_suiteA
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppi_v3_suiteA/command.sh
Finished nonideal_rtmin in 371 seconds [~ 401 test (49.81366459627329%) started, 404 in queue, 48 running]
Finished hshash_utils in 21 seconds [~ 401 test (49.81366459627329%) started, 404 in queue, 47 running]
Running Test dock_with_hotspot_place_simultaneously
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/dock_with_hotspot_place_simultaneously/command.sh
Running Test docking_ensemble
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_ensemble/command.sh
Finished swa_protein_CCDclose in 300 seconds [~ 403 test (50.06211180124224%) started, 402 in queue, 48 running]
Running Test swm_rna_move_inside_helix_by_jump
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_move_inside_helix_by_jump/command.sh
Finished splice_out_H1_H2_shorter in 52 seconds [~ 404 test (50.18633540372671%) started, 401 in queue, 48 running]
Running Test pmut_scan
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pmut_scan/command.sh
Finished relax_w_allatom_cst in 198 seconds [~ 405 test (50.31055900621118%) started, 400 in queue, 48 running]
Running Test disulfidize_beta_cys
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/disulfidize_beta_cys/command.sh
Finished splice_out_H1_H2_same in 58 seconds [~ 406 test (50.43478260869565%) started, 399 in queue, 48 running]
Running Test swm_l_rna
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_l_rna/command.sh
Finished splice_out_H1_H2_longer in 80 seconds [~ 407 test (50.559006211180126%) started, 398 in queue, 48 running]
Running Test rna_puzzle11_H2H3H4_run3_connectU40
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_puzzle11_H2H3H4_run3_connectU40/command.sh
Finished range_relax_w_cst in 145 seconds [~ 408 test (50.683229813664596%) started, 397 in queue, 48 running]
Finished kinemage_grid_output in 57 seconds [~ 408 test (50.683229813664596%) started, 397 in queue, 47 running]
Running Test mp_find_interface
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_find_interface/command.sh
Running Test hotspot_graft
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hotspot_graft/command.sh
Finished rosetta_scripts_loops in 315 seconds [~ 410 test (50.93167701863354%) started, 395 in queue, 48 running]
Running Test zinc_heterodimer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/zinc_heterodimer/command.sh
Finished splice_out_L1_L2_same in 55 seconds [~ 411 test (51.05590062111801%) started, 394 in queue, 48 running]
Running Test rna_denovo_RNP_refine_native
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_RNP_refine_native/command.sh
Finished rna_denovo_base_pair_constraints in 410 seconds [~ 412 test (51.18012422360248%) started, 393 in queue, 48 running]
Running Test docking_local_refine
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_local_refine/command.sh
Finished test1_benchmark in 273 seconds [~ 413 test (51.30434782608695%) started, 392 in queue, 48 running]
Running Test beta_strand_homodimer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/beta_strand_homodimer/command.sh
Finished thermal_sampler in 49 seconds [~ 414 test (51.42857142857143%) started, 391 in queue, 48 running]
Running Test simple_cycpep_predict_cispro
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_cispro/command.sh
Finished ppi_v3_suiteB in 121 seconds [~ 415 test (51.5527950310559%) started, 390 in queue, 48 running]
Running Test TryDisulfPermutations
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/TryDisulfPermutations/command.sh
Finished sdf_reader in 108 seconds [~ 416 test (51.67701863354037%) started, 389 in queue, 48 running]
Running Test genkic_rama_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_rama_filter/command.sh
Finished threefold_symm_peptide_design in 73 seconds [~ 417 test (51.80124223602485%) started, 388 in queue, 48 running]
Running Test KIC_vicinity
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/KIC_vicinity/command.sh
Finished supercharge in 222 seconds [~ 418 test (51.92546583850932%) started, 387 in queue, 48 running]
Running Test task_selector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/task_selector/command.sh
Finished ligand_dock_script in 155 seconds [~ 419 test (52.04968944099379%) started, 386 in queue, 48 running]
Running Test swm_beta_peptide_loop
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_beta_peptide_loop/command.sh
Finished simple_glycosylation in 331 seconds [~ 420 test (52.17391304347826%) started, 385 in queue, 48 running]
Running Test docking_site_constraints
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_site_constraints/command.sh
Finished ddG_of_mutation in 497 seconds [~ 421 test (52.298136645962735%) started, 384 in queue, 48 running]
Running Test splice_out_L1_L2_longer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_L1_L2_longer/command.sh
Finished SnugDock in 394 seconds [~ 422 test (52.422360248447205%) started, 383 in queue, 48 running]
Running Test rotamer_probability
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rotamer_probability/command.sh
Finished swa_protein_prepack in 183 seconds [~ 423 test (52.546583850931675%) started, 382 in queue, 48 running]
Running Test rna_farfar_block_stack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_farfar_block_stack/command.sh
Finished mp_relax in 112 seconds [~ 424 test (52.67080745341615%) started, 381 in queue, 48 running]
Running Test ligand_dock_7cpa
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_dock_7cpa/command.sh
Finished bundlegridsampler_epsilon in 110 seconds [~ 425 test (52.79503105590062%) started, 380 in queue, 48 running]
Running Test hbs_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbs_design/command.sh
Finished rna_denovo_RNP_low_res in 88 seconds [~ 426 test (52.91925465838509%) started, 379 in queue, 48 running]
Running Test bundlereporter_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlereporter_filter/command.sh
Finished dock_with_hotspot_place_simultaneously in 64 seconds [~ 427 test (53.04347826086956%) started, 378 in queue, 48 running]
Running Test AnchoredDesign
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/AnchoredDesign/command.sh
Finished rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation in 201 seconds [~ 428 test (53.16770186335404%) started, 377 in queue, 48 running]
Running Test simple_cycpep_predict_symm_gly
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_symm_gly/command.sh
Finished ppi_v3_suiteE in 86 seconds [~ 429 test (53.29192546583851%) started, 376 in queue, 48 running]
Running Test ppi_v3_suiteG
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppi_v3_suiteG/command.sh
Finished remodel_helical_repeat in 105 seconds [~ 430 test (53.41614906832298%) started, 375 in queue, 48 running]
Running Test swm_rna_singleloop
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_singleloop/command.sh
Finished enzdes in 117 seconds [~ 431 test (53.54037267080745%) started, 374 in queue, 48 running]
Running Test swa_protein_build_at_Nterminus
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_protein_build_at_Nterminus/command.sh
Finished symm_disulfidize in 127 seconds [~ 432 test (53.66459627329193%) started, 373 in queue, 48 running]
Running Test ppi_v3_suiteD
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppi_v3_suiteD/command.sh
Finished remodel_disulfides_rosettascripts in 173 seconds [~ 433 test (53.7888198757764%) started, 372 in queue, 48 running]
Running Test bundlegridsampler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler/command.sh
Finished jd2test_mmCIFin_PDBout in 239 seconds [~ 434 test (53.91304347826087%) started, 371 in queue, 48 running]
Running Test simple_cycpep_predict_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_design/command.sh
Finished fiber_diffraction in 513 seconds [~ 435 test (54.037267080745345%) started, 370 in queue, 48 running]
Running Test rs_flexbbmoves
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rs_flexbbmoves/command.sh
Finished genkic_rama_filter in 36 seconds [~ 436 test (54.161490683229815%) started, 369 in queue, 48 running]
Running Test swm_protein_loop_sampler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_protein_loop_sampler/command.sh
Finished jd2test_mmCIFIO in 241 seconds [~ 437 test (54.285714285714285%) started, 368 in queue, 48 running]
Running Test peptiderive
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/peptiderive/command.sh
Finished ppi_v3_suiteA in 99 seconds [~ 438 test (54.409937888198755%) started, 367 in queue, 48 running]
Running Test oop_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/oop_design/command.sh
Finished disulfidize_beta_cys in 85 seconds [~ 439 test (54.53416149068323%) started, 366 in queue, 48 running]
Running Test kinematic_looprelax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/kinematic_looprelax/command.sh
Finished match_1n9l in 156 seconds [~ 440 test (54.6583850931677%) started, 365 in queue, 48 running]
Running Test dock_glycans
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/dock_glycans/command.sh
Finished simple_cycpep_predict_cispro in 64 seconds [~ 441 test (54.78260869565217%) started, 364 in queue, 48 running]
Running Test bundlegridsampler_design_nstruct_mode
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_design_nstruct_mode/command.sh
Finished batch_relax in 144 seconds [~ 442 test (54.90683229813665%) started, 363 in queue, 48 running]
Running Test backrub_pilot
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/backrub_pilot/command.sh
Finished swm_rna_move_inside_helix_by_jump in 105 seconds [~ 443 test (55.03105590062112%) started, 362 in queue, 48 running]
Running Test Enzrevert_xml
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/Enzrevert_xml/command.sh
Finished glycan_tree_relax in 569 seconds [~ 444 test (55.15527950310559%) started, 361 in queue, 48 running]
Running Test KIC_refine
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/KIC_refine/command.sh
Finished hotspot_graft in 91 seconds [~ 445 test (55.27950310559006%) started, 360 in queue, 48 running]
Running Test next_generation_KIC
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/next_generation_KIC/command.sh
Finished splice_out_L1_L2_longer in 62 seconds [~ 446 test (55.40372670807454%) started, 359 in queue, 48 running]
Running Test simple_cycpep_predict_symmetric_sampling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_symmetric_sampling/command.sh
Finished swm_beta_peptide_loop in 65 seconds [~ 447 test (55.52795031055901%) started, 358 in queue, 48 running]
Running Test rosie_ligand_docking
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rosie_ligand_docking/command.sh
Finished KIC_with_fragments in 138 seconds [~ 448 test (55.65217391304348%) started, 357 in queue, 48 running]
Running Test rna_denovo_bps
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_bps/command.sh
Finished KIC_vicinity in 72 seconds [~ 449 test (55.77639751552795%) started, 356 in queue, 48 running]
Running Test features
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/features/command.sh
Finished rna_puzzle11_H2H3H4_run3_connectU40 in 99 seconds [~ 450 test (55.900621118012424%) started, 355 in queue, 48 running]
Running Test cycpep_symmetry_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cycpep_symmetry_filter/command.sh
Finished TryDisulfPermutations in 79 seconds [~ 451 test (56.024844720496894%) started, 354 in queue, 48 running]
Running Test backrub_interface_ddG
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/backrub_interface_ddG/command.sh
Finished fast_relax in 159 seconds [~ 452 test (56.149068322981364%) started, 353 in queue, 48 running]
Running Test simple_hbondstoatom
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_hbondstoatom/command.sh
Finished rna_denovo_bps in 13 seconds [~ 453 test (56.27329192546584%) started, 352 in queue, 48 running]
Running Test inv_kin_lig_loop_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/inv_kin_lig_loop_design/command.sh
Finished UBQ_E2_thioester_extra_bodies in 184 seconds [~ 454 test (56.39751552795031%) started, 351 in queue, 48 running]
Running Test hbonds_sp2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbonds_sp2/command.sh
Finished mp_find_interface in 110 seconds [~ 455 test (56.52173913043478%) started, 350 in queue, 48 running]
Running Test hbonds
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbonds/command.sh
Finished simple_cycpep_predict_symm_gly in 67 seconds [~ 456 test (56.64596273291925%) started, 349 in queue, 48 running]
Running Test fixbb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fixbb/command.sh
Finished ligand_database_io in 229 seconds [~ 457 test (56.77018633540373%) started, 348 in queue, 48 running]
Running Test entropy_correction
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/entropy_correction/command.sh
Finished task_selector in 87 seconds [~ 458 test (56.8944099378882%) started, 347 in queue, 48 running]
Running Test bundlegridsampler_z1_offset
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_z1_offset/command.sh
Finished rna_farfar_block_stack in 80 seconds [~ 459 test (57.01863354037267%) started, 346 in queue, 48 running]
Running Test bundlegridsampler_z0_offset
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_z0_offset/command.sh
Finished rotamer_probability in 82 seconds [~ 460 test (57.142857142857146%) started, 345 in queue, 48 running]
Running Test rotamer_recovery
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rotamer_recovery/command.sh
Finished simple_cycpep_predict_symmetric_sampling in 25 seconds [~ 461 test (57.267080745341616%) started, 344 in queue, 48 running]
Running Test rna_assemble
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_assemble/command.sh
Finished bundlereporter_filter in 76 seconds [~ 462 test (57.391304347826086%) started, 343 in queue, 48 running]
Running Test place_simultaneously
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/place_simultaneously/command.sh
Finished rna_denovo_RNP_refine_native in 107 seconds [~ 463 test (57.515527950310556%) started, 342 in queue, 48 running]
Running Test doug_dock_design_min_mod2_cal_cal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/doug_dock_design_min_mod2_cal_cal/command.sh
Finished simple_cycpep_predict_design in 62 seconds [~ 464 test (57.63975155279503%) started, 341 in queue, 48 running]
Running Test docking_full_protocol
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_full_protocol/command.sh
Finished ligand_dock_7cpa in 87 seconds [~ 465 test (57.7639751552795%) started, 340 in queue, 48 running]
Running Test UBQ_E2_thioester
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/UBQ_E2_thioester/command.sh
Finished swm_protein_loop_sampler in 65 seconds [~ 466 test (57.88819875776397%) started, 339 in queue, 48 running]
Running Test symm_rotamer_boltzmann
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/symm_rotamer_boltzmann/command.sh
Finished ppi_v3_suiteG in 77 seconds [~ 467 test (58.01242236024845%) started, 338 in queue, 48 running]
Running Test splice_out_H3_same
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_H3_same/command.sh
Finished docking_site_constraints in 100 seconds [~ 468 test (58.13664596273292%) started, 337 in queue, 48 running]
Running Test membrane_abinitio
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/membrane_abinitio/command.sh
Finished bundlegridsampler in 71 seconds [~ 469 test (58.26086956521739%) started, 336 in queue, 48 running]
Running Test docking_distance_constraints
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_distance_constraints/command.sh
Finished swm_rna_singleloop in 78 seconds [~ 470 test (58.38509316770186%) started, 335 in queue, 48 running]
Running Test swm_rna_protonated_adenosine
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_protonated_adenosine/command.sh
Finished rs_flexbbmoves in 70 seconds [~ 471 test (58.50931677018634%) started, 334 in queue, 48 running]
Running Test splice_out_L3_same
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_L3_same/command.sh
Finished swm_l_rna in 137 seconds [~ 472 test (58.63354037267081%) started, 333 in queue, 48 running]
Running Test loop_modeling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/loop_modeling/command.sh
Finished ppi_v3_suiteD in 76 seconds [~ 473 test (58.75776397515528%) started, 332 in queue, 48 running]
Running Test ligand_motif_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_motif_design/command.sh
Finished pmut_scan in 147 seconds [~ 474 test (58.88198757763975%) started, 331 in queue, 48 running]
Running Test bin_initialization
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bin_initialization/command.sh
Finished AlterSpecDisruption in 167 seconds [~ 475 test (59.006211180124225%) started, 330 in queue, 48 running]
Running Test torsion_restricted_sampling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/torsion_restricted_sampling/command.sh
Finished AnchoredDesign in 94 seconds [~ 476 test (59.130434782608695%) started, 329 in queue, 48 running]
Running Test swm_protein_move_inside_helix_by_bond
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_protein_move_inside_helix_by_bond/command.sh
Finished swa_protein_build_at_Nterminus in 82 seconds [~ 477 test (59.254658385093165%) started, 328 in queue, 48 running]
Running Test sequence_profile_constraints
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sequence_profile_constraints/command.sh
Finished zinc_heterodimer in 133 seconds [~ 478 test (59.37888198757764%) started, 327 in queue, 48 running]
Running Test rosetta_scripts_include
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rosetta_scripts_include/command.sh
Finished rna_assemble in 32 seconds [~ 479 test (59.50310559006211%) started, 326 in queue, 48 running]
Running Test rna_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_design/command.sh
Finished rotamer_recovery in 37 seconds [~ 480 test (59.62732919254658%) started, 325 in queue, 48 running]
Running Test perturb_helical_bundle
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/perturb_helical_bundle/command.sh
Finished simple_hbondstoatom in 52 seconds [~ 481 test (59.75155279503105%) started, 324 in queue, 48 running]
Running Test helical_bundle_nonideal
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle_nonideal/command.sh
Finished cycpep_symmetry_filter in 60 seconds [~ 482 test (59.87577639751553%) started, 323 in queue, 48 running]
Running Test swm_rna_nickedhelix
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_nickedhelix/command.sh
Finished hbs_design in 119 seconds [~ 483 test (60.0%) started, 322 in queue, 48 running]
Running Test mf_fixbb_des
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mf_fixbb_des/command.sh
Finished bundlegridsampler_design_nstruct_mode in 77 seconds [~ 484 test (60.12422360248447%) started, 321 in queue, 48 running]
Running Test match_xml
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/match_xml/command.sh
Finished docking_local_refine in 149 seconds [~ 485 test (60.24844720496895%) started, 320 in queue, 48 running]
Running Test genkic_lowmemory_mode
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_lowmemory_mode/command.sh
Finished KIC_refine in 75 seconds [~ 486 test (60.37267080745342%) started, 319 in queue, 48 running]
Running Test flexpepdock_abinitio
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/flexpepdock_abinitio/command.sh
Finished Enzrevert_xml in 77 seconds [~ 487 test (60.49689440993789%) started, 318 in queue, 48 running]
Running Test features_parallel
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/features_parallel/command.sh
Finished splice_out_H3_same in 39 seconds [~ 488 test (60.62111801242236%) started, 317 in queue, 48 running]
Running Test swa_rna_gagu_15_combine_long_loop_sampling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_15_combine_long_loop_sampling/command.sh
Finished hbonds_sp2 in 61 seconds [~ 489 test (60.745341614906835%) started, 316 in queue, 48 running]
Running Test splice_out_H3_shorter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_H3_shorter/command.sh
Finished inv_kin_lig_loop_design in 62 seconds [~ 490 test (60.869565217391305%) started, 315 in queue, 48 running]
Running Test splice_out_H3_longer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_H3_longer/command.sh
Finished rosie_ligand_docking in 76 seconds [~ 491 test (60.993788819875775%) started, 314 in queue, 48 running]
Running Test residue_energy_breakdown
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/residue_energy_breakdown/command.sh
Finished kinematic_looprelax in 88 seconds [~ 492 test (61.11801242236025%) started, 313 in queue, 48 running]
Running Test readin_dna_rna_protein
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/readin_dna_rna_protein/command.sh
Finished bundlegridsampler_z1_offset in 59 seconds [~ 493 test (61.24223602484472%) started, 312 in queue, 48 running]
Running Test fuzzy
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fuzzy/command.sh
Finished bundlegridsampler_z0_offset in 59 seconds [~ 494 test (61.36645962732919%) started, 311 in queue, 48 running]
Running Test docking_ensemble_prepack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_ensemble_prepack/command.sh
Finished backrub_pilot in 91 seconds [~ 495 test (61.49068322981366%) started, 310 in queue, 48 running]
Running Test bundlegridsampler_multirepeat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_multirepeat/command.sh
Finished hbonds in 67 seconds [~ 496 test (61.61490683229814%) started, 309 in queue, 48 running]
Running Test ThreadingInputter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ThreadingInputter/command.sh
Finished oop_design in 108 seconds [~ 497 test (61.73913043478261%) started, 308 in queue, 48 running]
Running Test score12_docking
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/score12_docking/command.sh
Finished swm_rna_protonated_adenosine in 48 seconds [~ 498 test (61.86335403726708%) started, 307 in queue, 48 running]
Running Test rosetta_scripts_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rosetta_scripts_setup/command.sh
Finished place_simultaneously in 60 seconds [~ 499 test (61.98757763975155%) started, 306 in queue, 48 running]
Running Test pocket_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pocket_relax/command.sh
Finished next_generation_KIC in 91 seconds [~ 500 test (62.11180124223603%) started, 305 in queue, 48 running]
Running Test mp_dock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_dock/command.sh
Finished dock_glycans in 103 seconds [~ 501 test (62.2360248447205%) started, 304 in queue, 48 running]
Running Test bundlegridsampler_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bundlegridsampler_design/command.sh
Finished swm_protein_move_inside_helix_by_bond in 46 seconds [~ 502 test (62.36024844720497%) started, 303 in queue, 48 running]
Running Test UBQ_Gp_LYX-Cterm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/UBQ_Gp_LYX-Cterm/command.sh
Finished docking_ensemble in 208 seconds [~ 503 test (62.484472049689444%) started, 302 in queue, 48 running]
Running Test LayerDesign
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/LayerDesign/command.sh
Finished membrane_abinitio in 61 seconds [~ 504 test (62.608695652173914%) started, 301 in queue, 48 running]
Running Test swa_protein_build_at_Cterminus
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_protein_build_at_Cterminus/command.sh
Finished splice_out_L3_same in 60 seconds [~ 505 test (62.732919254658384%) started, 300 in queue, 48 running]
Running Test jd2test_PDBin_mmCIFout_extra_data_separate
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/jd2test_PDBin_mmCIFout_extra_data_separate/command.sh
Finished ligand_motif_design in 57 seconds [~ 506 test (62.857142857142854%) started, 299 in queue, 48 running]
Running Test jd2test_PDBin_mmCIFout
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/jd2test_PDBin_mmCIFout/command.sh
Finished doug_dock_design_min_mod2_cal_cal in 74 seconds [~ 507 test (62.98136645962733%) started, 298 in queue, 48 running]
Running Test jd2test_PDBIO
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/jd2test_PDBIO/command.sh
Finished rosetta_scripts_include in 51 seconds [~ 508 test (63.1055900621118%) started, 297 in queue, 48 running]
Running Test density_refine
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/density_refine/command.sh
Finished swm_rna_nickedhelix in 37 seconds [~ 509 test (63.22981366459627%) started, 296 in queue, 48 running]
Running Test add_constraints_to_current_conformation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/add_constraints_to_current_conformation/command.sh
Finished sequence_profile_constraints in 57 seconds [~ 510 test (63.35403726708075%) started, 295 in queue, 48 running]
Running Test LayerSelector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/LayerSelector/command.sh
Finished bin_initialization in 61 seconds [~ 511 test (63.47826086956522%) started, 294 in queue, 48 running]
Running Test FloppyTail
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/FloppyTail/command.sh
Finished helical_bundle_nonideal in 49 seconds [~ 512 test (63.60248447204969%) started, 293 in queue, 48 running]
Running Test threefoldlinkermover_tbmb_symmetric
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/threefoldlinkermover_tbmb_symmetric/command.sh
Finished rna_design in 54 seconds [~ 513 test (63.72670807453416%) started, 292 in queue, 48 running]
Running Test swm_rna_loop_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_loop_design/command.sh
Finished docking_full_protocol in 81 seconds [~ 514 test (63.850931677018636%) started, 291 in queue, 48 running]
Running Test swm_rna_fourwayjunction
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_fourwayjunction/command.sh
Finished perturb_helical_bundle in 52 seconds [~ 515 test (63.975155279503106%) started, 290 in queue, 48 running]
Running Test rna_puzzle6_j67_into_p6p7rigidbody_thread1
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_puzzle6_j67_into_p6p7rigidbody_thread1/command.sh
Finished splice_out_H3_shorter in 38 seconds [~ 516 test (64.09937888198758%) started, 289 in queue, 48 running]
Running Test posttranslationalmod_io
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/posttranslationalmod_io/command.sh
Finished swa_rna_gagu_15_combine_long_loop_sampling in 43 seconds [~ 517 test (64.22360248447205%) started, 288 in queue, 48 running]
Running Test motif_score_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/motif_score_filter/command.sh
Finished readin_dna_rna_protein in 41 seconds [~ 518 test (64.34782608695652%) started, 287 in queue, 48 running]
Running Test cluster_alns
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cluster_alns/command.sh
Finished rosetta_scripts_setup in 32 seconds [~ 519 test (64.472049689441%) started, 286 in queue, 48 running]
Running Test backrub
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/backrub/command.sh
Finished fuzzy in 39 seconds [~ 520 test (64.59627329192547%) started, 285 in queue, 48 running]
Running Test antibody_graft
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/antibody_graft/command.sh
Finished mp_dock in 31 seconds [~ 521 test (64.72049689440993%) started, 284 in queue, 48 running]
Running Test antibody_H3_camelid
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/antibody_H3_camelid/command.sh
Finished residue_energy_breakdown in 45 seconds [~ 522 test (64.84472049689441%) started, 283 in queue, 48 running]
Running Test score_only_silence
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/score_only_silence/command.sh
Finished genkic_lowmemory_mode in 53 seconds [~ 523 test (64.96894409937889%) started, 282 in queue, 48 running]
Running Test mf_flexbb_sc
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mf_flexbb_sc/command.sh
Finished symm_rotamer_boltzmann in 90 seconds [~ 524 test (65.09316770186335%) started, 281 in queue, 48 running]
Finished match_xml in 55 seconds [~ 524 test (65.09316770186335%) started, 281 in queue, 47 running]
Running Test UBQ_Gp_CYD-CYD
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/UBQ_Gp_CYD-CYD/command.sh
Running Test splice_out_L3_longer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_L3_longer/command.sh
Finished mf_fixbb_des in 58 seconds [~ 526 test (65.3416149068323%) started, 279 in queue, 48 running]
Running Test simple_dna_test
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_dna_test/command.sh
Finished ThreadingInputter in 42 seconds [~ 527 test (65.46583850931677%) started, 278 in queue, 48 running]
Running Test molfile_to_params
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/molfile_to_params/command.sh
Finished glycan_relax in 505 seconds [~ 528 test (65.59006211180125%) started, 277 in queue, 48 running]
Running Test centroid_from_fullatom
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/centroid_from_fullatom/command.sh
Finished bundlegridsampler_multirepeat in 45 seconds [~ 529 test (65.71428571428571%) started, 276 in queue, 48 running]
Running Test ReadResfile_with_selector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ReadResfile_with_selector/command.sh
Finished UBQ_E2_thioester in 98 seconds [~ 530 test (65.83850931677019%) started, 275 in queue, 48 running]
Running Test AnchoredPDBCreator
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/AnchoredPDBCreator/command.sh
Finished beta_strand_homodimer in 205 seconds [~ 531 test (65.96273291925466%) started, 274 in queue, 48 running]
Running Test threefoldlinkermover_tbmb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/threefoldlinkermover_tbmb/command.sh
Finished loop_modeling in 89 seconds [~ 532 test (66.08695652173913%) started, 273 in queue, 48 running]
Running Test swa_rna_gagu_13_chunk_combination_and_closure
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_13_chunk_combination_and_closure/command.sh
Finished swm_rna_loop_design in 21 seconds [~ 533 test (66.2111801242236%) started, 272 in queue, 48 running]
Running Test sequence_recovery
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sequence_recovery/command.sh
Finished entropy_correction in 113 seconds [~ 534 test (66.33540372670808%) started, 271 in queue, 48 running]
Running Test genkic_bin_perturbing
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_bin_perturbing/command.sh
Finished backrub_interface_ddG in 128 seconds [~ 535 test (66.45962732919254%) started, 270 in queue, 48 running]
Running Test symmetric_cycpep_align_and_symmetrize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/symmetric_cycpep_align_and_symmetrize/command.sh
Finished fixbb in 117 seconds [~ 536 test (66.58385093167702%) started, 269 in queue, 48 running]
Running Test splice_out_L3_shorter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/splice_out_L3_shorter/command.sh
Finished threefoldlinkermover_tbmb_symmetric in 29 seconds [~ 537 test (66.7080745341615%) started, 268 in queue, 48 running]
Running Test ppk
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ppk/command.sh
Finished LayerDesign in 44 seconds [~ 538 test (66.83229813664596%) started, 267 in queue, 48 running]
Running Test mp_symmetry_load
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_symmetry_load/command.sh
Finished score12_docking in 55 seconds [~ 539 test (66.95652173913044%) started, 266 in queue, 48 running]
Running Test ligand_dock_grid
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ligand_dock_grid/command.sh
Finished molfile_to_params in 15 seconds [~ 540 test (67.0807453416149%) started, 265 in queue, 48 running]
Running Test rollmover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rollmover/command.sh
Finished docking_distance_constraints in 104 seconds [~ 541 test (67.20496894409938%) started, 264 in queue, 48 running]
Running Test oop_dock_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/oop_dock_design/command.sh
Finished torsion_restricted_sampling in 100 seconds [~ 542 test (67.32919254658385%) started, 263 in queue, 48 running]
Running Test metalloprotein_abrelax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/metalloprotein_abrelax/command.sh
Finished bundlegridsampler_design in 53 seconds [~ 543 test (67.45341614906832%) started, 262 in queue, 48 running]
Running Test backbonegridsampler_nstruct_mode
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/backbonegridsampler_nstruct_mode/command.sh
Finished swa_protein_build_at_Cterminus in 49 seconds [~ 544 test (67.5776397515528%) started, 261 in queue, 48 running]
Running Test backbonegridsampler_multiresidue
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/backbonegridsampler_multiresidue/command.sh
Finished features_parallel in 74 seconds [~ 545 test (67.70186335403727%) started, 260 in queue, 48 running]
Running Test LayerDesign_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/LayerDesign_symm/command.sh
Finished rna_puzzle6_j67_into_p6p7rigidbody_thread1 in 36 seconds [~ 546 test (67.82608695652173%) started, 259 in queue, 48 running]
Running Test swm_rna_move_inside_helix_by_bond
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_move_inside_helix_by_bond/command.sh
Finished FloppyTail in 43 seconds [~ 547 test (67.95031055900621%) started, 258 in queue, 48 running]
Running Test startfrom_file
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/startfrom_file/command.sh
Finished posttranslationalmod_io in 37 seconds [~ 548 test (68.07453416149069%) started, 257 in queue, 48 running]
Running Test simple_cycpep_predict_nmethyl
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/simple_cycpep_predict_nmethyl/command.sh
Finished jd2test_PDBin_mmCIFout_extra_data_separate in 53 seconds [~ 549 test (68.19875776397515%) started, 256 in queue, 48 running]
Running Test perturb_helical_bundle_z_offset
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/perturb_helical_bundle_z_offset/command.sh
Finished features in 147 seconds [~ 550 test (68.32298136645963%) started, 255 in queue, 48 running]
Running Test perturb_helical_bundle_epsilon
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/perturb_helical_bundle_epsilon/command.sh
Finished add_constraints_to_current_conformation in 49 seconds [~ 551 test (68.4472049689441%) started, 254 in queue, 48 running]
Running Test mp_mutate_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_mutate_relax/command.sh
Finished jd2test_PDBin_mmCIFout in 53 seconds [~ 552 test (68.57142857142857%) started, 253 in queue, 48 running]
Running Test minimize_with_elec_dens
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/minimize_with_elec_dens/command.sh
Finished jd2test_PDBIO in 53 seconds [~ 553 test (68.69565217391305%) started, 252 in queue, 48 running]
Running Test metropolis_hastings
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/metropolis_hastings/command.sh
Finished LayerSelector in 50 seconds [~ 554 test (68.81987577639751%) started, 251 in queue, 48 running]
Finished mf_flexbb_sc in 32 seconds [~ 554 test (68.81987577639751%) started, 251 in queue, 47 running]
Running Test fold_cst_new
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fold_cst_new/command.sh
Running Test favor_native_residue
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/favor_native_residue/command.sh
Finished motif_score_filter in 39 seconds [~ 556 test (69.06832298136646%) started, 249 in queue, 48 running]
Running Test broker
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/broker/command.sh
Finished cluster_alns in 38 seconds [~ 557 test (69.19254658385093%) started, 248 in queue, 48 running]
Running Test bin_perturbation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/bin_perturbation/command.sh
Finished flexpepdock_abinitio in 88 seconds [~ 558 test (69.3167701863354%) started, 247 in queue, 48 running]
Running Test RBOut
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/RBOut/command.sh
Finished swm_rna_fourwayjunction in 48 seconds [~ 559 test (69.44099378881988%) started, 246 in queue, 48 running]
Running Test symmetry_multicomponent
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/symmetry_multicomponent/command.sh
Finished pocket_relax in 74 seconds [~ 560 test (69.56521739130434%) started, 245 in queue, 48 running]
Running Test symmetrical_residue_selector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/symmetrical_residue_selector/command.sh
Finished density_refine in 60 seconds [~ 561 test (69.68944099378882%) started, 244 in queue, 48 running]
Finished threefoldlinkermover_tbmb in 32 seconds [~ 561 test (69.68944099378882%) started, 244 in queue, 47 running]
Running Test swm_protein_move_inside_coiledcoil_by_bond
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_protein_move_inside_coiledcoil_by_bond/command.sh
Running Test swa_rna_gagu_18_rebuild_bulge
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_18_rebuild_bulge/command.sh
Finished sequence_recovery in 31 seconds [~ 563 test (69.93788819875776%) started, 242 in queue, 48 running]
Running Test swa_rna_gagu_10_prepend_and_ccd_close
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_10_prepend_and_ccd_close/command.sh
Finished symmetric_cycpep_align_and_symmetrize in 30 seconds [~ 564 test (70.06211180124224%) started, 241 in queue, 48 running]
Running Test smallmover_resselector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/smallmover_resselector/command.sh
Finished mp_symmetry_load in 27 seconds [~ 565 test (70.1863354037267%) started, 240 in queue, 48 running]
Running Test rna_motif
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_motif/command.sh
Finished swa_rna_gagu_13_chunk_combination_and_closure in 36 seconds [~ 566 test (70.31055900621118%) started, 239 in queue, 48 running]
Running Test repack_with_elec_dens
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/repack_with_elec_dens/command.sh
Finished centroid_from_fullatom in 40 seconds [~ 567 test (70.43478260869566%) started, 238 in queue, 48 running]
Running Test rama_mutation_selector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rama_mutation_selector/command.sh
Finished simple_cycpep_predict_nmethyl in 17 seconds [~ 568 test (70.55900621118012%) started, 237 in queue, 48 running]
Running Test mp_range_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_range_relax/command.sh
Finished score_only_silence in 48 seconds [~ 569 test (70.6832298136646%) started, 236 in queue, 48 running]
Running Test min_pack_min
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/min_pack_min/command.sh
Finished UBQ_Gp_LYX-Cterm in 77 seconds [~ 570 test (70.80745341614907%) started, 235 in queue, 48 running]
Running Test make_symmdef_file
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/make_symmdef_file/command.sh
Finished ReadResfile_with_selector in 43 seconds [~ 571 test (70.93167701863354%) started, 234 in queue, 48 running]
Running Test genkic_ramaprepro_sampling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_ramaprepro_sampling/command.sh
Finished antibody_graft in 53 seconds [~ 572 test (71.05590062111801%) started, 233 in queue, 48 running]
Running Test ddG_scan
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ddG_scan/command.sh
Finished ppk in 35 seconds [~ 573 test (71.18012422360249%) started, 232 in queue, 48 running]
Running Test UnsatSelector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/UnsatSelector/command.sh
Finished genkic_bin_perturbing in 41 seconds [~ 574 test (71.30434782608695%) started, 231 in queue, 48 running]
Running Test PeptideCyclizeMover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/PeptideCyclizeMover/command.sh
Finished cyclization in 479 seconds [~ 575 test (71.42857142857143%) started, 230 in queue, 48 running]
Running Test symmetric_docking
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/symmetric_docking/command.sh
Finished simple_dna_test in 54 seconds [~ 576 test (71.5527950310559%) started, 229 in queue, 48 running]
Running Test swm_protein_CCDmove
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_protein_CCDmove/command.sh
Finished ligand_dock_grid in 40 seconds [~ 577 test (71.67701863354037%) started, 228 in queue, 48 running]
Running Test swa_rna_gagu_23_append_and_kic_close
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_23_append_and_kic_close/command.sh
Finished backbonegridsampler_multiresidue in 36 seconds [~ 578 test (71.80124223602485%) started, 227 in queue, 48 running]
Running Test seed_ensemble_JD2_JI
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/seed_ensemble_JD2_JI/command.sh
Finished rollmover in 40 seconds [~ 579 test (71.92546583850931%) started, 226 in queue, 48 running]
Running Test rna_farfar_syn_chi_res
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_farfar_syn_chi_res/command.sh
Finished oop_dock_design in 41 seconds [~ 580 test (72.04968944099379%) started, 225 in queue, 48 running]
Finished mp_mutate_relax in 29 seconds [~ 580 test (72.04968944099379%) started, 225 in queue, 47 running]
Running Test make_rot_lib
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/make_rot_lib/command.sh
Running Test mf_fixbb_sc
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mf_fixbb_sc/command.sh
Finished UBQ_Gp_CYD-CYD in 60 seconds [~ 582 test (72.29813664596273%) started, 223 in queue, 48 running]
Running Test grid_scores_features
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/grid_scores_features/command.sh
Finished LayerDesign_symm in 37 seconds [~ 583 test (72.4223602484472%) started, 222 in queue, 48 running]
Running Test density_denovo
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/density_denovo/command.sh
Finished startfrom_file in 36 seconds [~ 584 test (72.54658385093168%) started, 221 in queue, 48 running]
Running Test carbohydrates
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/carbohydrates/command.sh
Finished metalloprotein_abrelax in 41 seconds [~ 585 test (72.67080745341615%) started, 220 in queue, 48 running]
Running Test swa_rna_gagu_11_append_and_ccd_close
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_11_append_and_ccd_close/command.sh
Finished swm_rna_move_inside_helix_by_bond in 37 seconds [~ 586 test (72.79503105590062%) started, 219 in queue, 48 running]
Running Test rna_denovo_base_pair_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_base_pair_setup/command.sh
Finished rna_motif in 19 seconds [~ 587 test (72.9192546583851%) started, 218 in queue, 48 running]
Running Test mp_vis_emb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_vis_emb/command.sh
Finished perturb_helical_bundle_z_offset in 34 seconds [~ 588 test (73.04347826086956%) started, 217 in queue, 48 running]
Running Test mp_score_jd2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_score_jd2/command.sh
Finished symmetrical_residue_selector in 25 seconds [~ 589 test (73.16770186335404%) started, 216 in queue, 48 running]
Running Test mp_mutate_repack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_mutate_repack/command.sh
Finished perturb_helical_bundle_epsilon in 34 seconds [~ 590 test (73.2919254658385%) started, 215 in queue, 48 running]
Running Test metal_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/metal_setup/command.sh
Finished backbonegridsampler_nstruct_mode in 41 seconds [~ 591 test (73.41614906832298%) started, 214 in queue, 48 running]
Running Test helix_from_sequence
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helix_from_sequence/command.sh
Finished splice_out_H3_longer in 113 seconds [~ 592 test (73.54037267080746%) started, 213 in queue, 48 running]
Finished bin_perturbation in 32 seconds [~ 592 test (73.54037267080746%) started, 213 in queue, 47 running]
Finished RBOut in 30 seconds [~ 592 test (73.54037267080746%) started, 213 in queue, 46 running]
Running Test hbnet_use_input_rot
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbnet_use_input_rot/command.sh
Running Test classic_relax_1a19
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/classic_relax_1a19/command.sh
Running Test buried_area_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/buried_area_filter/command.sh
Finished splice_out_L3_shorter in 52 seconds [~ 595 test (73.91304347826087%) started, 210 in queue, 48 running]
Running Test DARC_sampling_on_the_fly
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/DARC_sampling_on_the_fly/command.sh
Finished AnchoredPDBCreator in 61 seconds [~ 596 test (74.03726708074534%) started, 209 in queue, 48 running]
Running Test DARC_make_ray_files
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/DARC_make_ray_files/command.sh
Finished fold_cst_new in 40 seconds [~ 597 test (74.16149068322981%) started, 208 in queue, 48 running]
Running Test ConsensusLoopDesign
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ConsensusLoopDesign/command.sh
Finished smallmover_resselector in 30 seconds [~ 598 test (74.28571428571429%) started, 207 in queue, 48 running]
Running Test write_mol_file
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/write_mol_file/command.sh
Finished swa_rna_gagu_18_rebuild_bulge in 34 seconds [~ 599 test (74.40993788819875%) started, 206 in queue, 48 running]
Running Test swa_rna_gagu_22_prepend_and_kic_close
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_22_prepend_and_kic_close/command.sh
Finished metropolis_hastings in 42 seconds [~ 600 test (74.53416149068323%) started, 205 in queue, 48 running]
Running Test swa_rna_gagu_16_prepend_dinucleotide_on_dinucleotide
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_16_prepend_dinucleotide_on_dinucleotide/command.sh
Finished mp_range_relax in 28 seconds [~ 601 test (74.6583850931677%) started, 204 in queue, 48 running]
Running Test surface_docking
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/surface_docking/command.sh
Finished swa_rna_gagu_10_prepend_and_ccd_close in 34 seconds [~ 602 test (74.78260869565217%) started, 203 in queue, 48 running]
Running Test stored_residue_subset
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/stored_residue_subset/command.sh
Finished rama_mutation_selector in 31 seconds [~ 603 test (74.90683229813665%) started, 202 in queue, 48 running]
Running Test rosetta_scripts_hbond_options
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rosetta_scripts_hbond_options/command.sh
Finished symmetry_multicomponent in 40 seconds [~ 604 test (75.03105590062111%) started, 201 in queue, 48 running]
Running Test resource_database_locator
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/resource_database_locator/command.sh
Finished mp_vis_emb in 14 seconds [~ 605 test (75.15527950310559%) started, 200 in queue, 48 running]
Running Test loop_creation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/loop_creation/command.sh
Finished mp_score_jd2 in 14 seconds [~ 606 test (75.27950310559007%) started, 199 in queue, 48 running]
Running Test longest_continuous_polar_segment_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/longest_continuous_polar_segment_filter/command.sh
Finished splice_out_L3_longer in 78 seconds [~ 607 test (75.40372670807453%) started, 198 in queue, 48 running]
Running Test jscore
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/jscore/command.sh
Finished DARC_make_ray_files in 12 seconds [~ 608 test (75.527950310559%) started, 197 in queue, 48 running]
Running Test genkic_dihedral_copying
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_dihedral_copying/command.sh
Finished genkic_ramaprepro_sampling in 32 seconds [~ 609 test (75.65217391304348%) started, 196 in queue, 48 running]
Finished UnsatSelector in 30 seconds [~ 609 test (75.65217391304348%) started, 196 in queue, 47 running]
Running Test density_refine_symm
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/density_refine_symm/command.sh
Running Test database_session_resource
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/database_session_resource/command.sh
Finished broker in 48 seconds [~ 611 test (75.90062111801242%) started, 194 in queue, 48 running]
Running Test copy_rotamer_mover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/copy_rotamer_mover/command.sh
Finished swm_protein_move_inside_coiledcoil_by_bond in 43 seconds [~ 612 test (76.0248447204969%) started, 193 in queue, 48 running]
Running Test cluster
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cluster/command.sh
Finished DARC_sampling_on_the_fly in 16 seconds [~ 613 test (76.14906832298136%) started, 192 in queue, 48 running]
Running Test broker_membrane
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/broker_membrane/command.sh
Finished PeptideCyclizeMover in 33 seconds [~ 614 test (76.27329192546584%) started, 191 in queue, 48 running]
Running Test InterfaceDdG
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceDdG/command.sh
Finished mp_mutate_repack in 21 seconds [~ 615 test (76.3975155279503%) started, 190 in queue, 48 running]
Running Test zinc_homodimer_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/zinc_homodimer_design/command.sh
Finished mf_fixbb_sc in 27 seconds [~ 616 test (76.52173913043478%) started, 189 in queue, 48 running]
Running Test test_computed_saxs_spectrum
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/test_computed_saxs_spectrum/command.sh
Finished minimize_with_elec_dens in 57 seconds [~ 617 test (76.64596273291926%) started, 188 in queue, 48 running]
Running Test symmetry_data_resource
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/symmetry_data_resource/command.sh
Finished repack_with_elec_dens in 46 seconds [~ 618 test (76.77018633540372%) started, 187 in queue, 48 running]
Running Test mp_transform_optimize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_transform_optimize/command.sh
Finished metal_setup in 28 seconds [~ 619 test (76.8944099378882%) started, 186 in queue, 48 running]
Running Test make_and_perturb_bundle_multirepeat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/make_and_perturb_bundle_multirepeat/command.sh
Finished swm_protein_CCDmove in 37 seconds [~ 620 test (77.01863354037268%) started, 185 in queue, 48 running]
Finished helix_from_sequence in 28 seconds [~ 620 test (77.01863354037268%) started, 185 in queue, 47 running]
Finished buried_area_filter in 27 seconds [~ 620 test (77.01863354037268%) started, 185 in queue, 46 running]
Running Test gen_apo_grids
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/gen_apo_grids/command.sh
Running Test cluster_filter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cluster_filter/command.sh
Running Test binselector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/binselector/command.sh
Finished ddG_scan in 44 seconds [~ 623 test (77.3913043478261%) started, 182 in queue, 48 running]
Finished swa_rna_gagu_23_append_and_kic_close in 35 seconds [~ 623 test (77.3913043478261%) started, 182 in queue, 47 running]
Running Test abinitio
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/abinitio/command.sh
Running Test UBQ_E2_thioester_two_ubiquitins
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/UBQ_E2_thioester_two_ubiquitins/command.sh
Finished swa_rna_gagu_11_append_and_ccd_close in 32 seconds [~ 625 test (77.63975155279503%) started, 180 in queue, 48 running]
Running Test StrandHelixGeometryFilter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/StrandHelixGeometryFilter/command.sh
Finished symmetric_docking in 41 seconds [~ 626 test (77.7639751552795%) started, 179 in queue, 48 running]
Running Test StrandCurvatureByLevels
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/StrandCurvatureByLevels/command.sh
Finished cluster in 13 seconds [~ 627 test (77.88819875776397%) started, 178 in queue, 48 running]
Running Test HelixBendFilter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/HelixBendFilter/command.sh
Finished rna_denovo_base_pair_setup in 34 seconds [~ 628 test (78.01242236024845%) started, 177 in queue, 48 running]
Running Test zinc_homodimer_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/zinc_homodimer_setup/command.sh
Finished jscore in 18 seconds [~ 629 test (78.13664596273291%) started, 176 in queue, 48 running]
Running Test swa_rna_gagu_14_combine_long_loop_filtering
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_14_combine_long_loop_filtering/command.sh
Finished density_denovo in 38 seconds [~ 630 test (78.26086956521739%) started, 175 in queue, 48 running]
Running Test swa_rna_gagu_12_helix_addition
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_12_helix_addition/command.sh
Finished grid_scores_features in 39 seconds [~ 631 test (78.38509316770187%) started, 174 in queue, 48 running]
Running Test set_torsion
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/set_torsion/command.sh
Finished make_rot_lib in 40 seconds [~ 632 test (78.50931677018633%) started, 173 in queue, 48 running]
Running Test rna_puzzle6_U75G76A77_on_thread1
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_puzzle6_U75G76A77_on_thread1/command.sh
Finished stored_residue_subset in 26 seconds [~ 633 test (78.63354037267081%) started, 172 in queue, 48 running]
Running Test referencepose_mutateresidue
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/referencepose_mutateresidue/command.sh
Finished rna_farfar_syn_chi_res in 42 seconds [~ 634 test (78.75776397515529%) started, 171 in queue, 48 running]
Running Test recces_turner
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/recces_turner/command.sh
Finished swa_rna_gagu_14_combine_long_loop_filtering in 5 seconds [~ 635 test (78.88198757763975%) started, 170 in queue, 48 running]
Running Test pocket_measure
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pocket_measure/command.sh
Finished write_mol_file in 31 seconds [~ 636 test (79.00621118012423%) started, 169 in queue, 48 running]
Running Test phiselector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/phiselector/command.sh
Finished ConsensusLoopDesign in 32 seconds [~ 637 test (79.1304347826087%) started, 168 in queue, 48 running]
Running Test ncaa_fixbb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ncaa_fixbb/command.sh
Finished longest_continuous_polar_segment_filter in 26 seconds [~ 638 test (79.25465838509317%) started, 167 in queue, 48 running]
Running Test mp_dock_setup
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_dock_setup/command.sh
Finished cluster_filter in 12 seconds [~ 639 test (79.37888198757764%) started, 166 in queue, 48 running]
Running Test helical_bundle
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/helical_bundle/command.sh
Finished broker_membrane in 23 seconds [~ 640 test (79.5031055900621%) started, 165 in queue, 48 running]
Running Test genkic_bin_setting
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_bin_setting/command.sh
Finished surface_docking in 33 seconds [~ 641 test (79.62732919254658%) started, 164 in queue, 48 running]
Running Test features_pdb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/features_pdb/command.sh
Finished copy_rotamer_mover in 25 seconds [~ 642 test (79.75155279503106%) started, 163 in queue, 48 running]
Running Test cst_info
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cst_info/command.sh
Finished genkic_dihedral_copying in 28 seconds [~ 643 test (79.87577639751552%) started, 162 in queue, 48 running]
Running Test binselector_probins
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/binselector_probins/command.sh
Finished carbohydrates in 46 seconds [~ 644 test (80.0%) started, 161 in queue, 48 running]
Finished swa_rna_gagu_22_prepend_and_kic_close in 35 seconds [~ 644 test (80.0%) started, 161 in queue, 47 running]
Running Test backbonegridsampler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/backbonegridsampler/command.sh
Running Test add_job_pair_data
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/add_job_pair_data/command.sh
Finished loop_creation in 31 seconds [~ 646 test (80.24844720496894%) started, 159 in queue, 48 running]
Running Test SecondaryStructureFilter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/SecondaryStructureFilter/command.sh
Finished favor_native_residue in 77 seconds [~ 647 test (80.37267080745342%) started, 158 in queue, 48 running]
Running Test OversaturatedHbondAcceptorFilter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/OversaturatedHbondAcceptorFilter/command.sh
Finished min_pack_min in 64 seconds [~ 648 test (80.4968944099379%) started, 157 in queue, 48 running]
Running Test MutateResidue_selector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/MutateResidue_selector/command.sh
Finished swa_rna_gagu_16_prepend_dinucleotide_on_dinucleotide in 38 seconds [~ 649 test (80.62111801242236%) started, 156 in queue, 48 running]
Running Test LoopLengthChange
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/LoopLengthChange/command.sh
Finished classic_relax_1a19 in 47 seconds [~ 650 test (80.74534161490683%) started, 155 in queue, 48 running]
Running Test InterfaceAnalyzer_resfile
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer_resfile/command.sh
Finished resource_database_locator in 38 seconds [~ 651 test (80.8695652173913%) started, 154 in queue, 48 running]
Finished density_refine_symm in 33 seconds [~ 651 test (80.8695652173913%) started, 154 in queue, 47 running]
Running Test InterfaceAnalyzer_bothpack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer_bothpack/command.sh
Running Test FilterReportAsPoseExtraScoresMover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/FilterReportAsPoseExtraScoresMover/command.sh
Finished mp_transform_optimize in 24 seconds [~ 653 test (81.11801242236025%) started, 152 in queue, 48 running]
Running Test unfolded_state_energy_calc
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/unfolded_state_energy_calc/command.sh
Finished gen_apo_grids in 23 seconds [~ 654 test (81.24223602484471%) started, 151 in queue, 48 running]
Running Test real_virt_mover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/real_virt_mover/command.sh
Finished symmetry_data_resource in 30 seconds [~ 655 test (81.36645962732919%) started, 150 in queue, 48 running]
Running Test pwsho
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pwsho/command.sh
Finished database_session_resource in 37 seconds [~ 656 test (81.49068322981367%) started, 149 in queue, 48 running]
Finished zinc_homodimer_setup in 21 seconds [~ 656 test (81.49068322981367%) started, 149 in queue, 47 running]
Running Test mp_interface_statistics
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_interface_statistics/command.sh
Running Test mp_dock_prepack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_dock_prepack/command.sh
Finished make_and_perturb_bundle_multirepeat in 26 seconds [~ 658 test (81.73913043478261%) started, 147 in queue, 48 running]
Running Test hbondstoresidue_selector
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hbondstoresidue_selector/command.sh
Finished binselector in 26 seconds [~ 659 test (81.86335403726709%) started, 146 in queue, 48 running]
Running Test genkic_bin_sampling
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/genkic_bin_sampling/command.sh
Finished pocket_measure in 19 seconds [~ 660 test (81.98757763975155%) started, 145 in queue, 48 running]
Running Test PeptideStubMover_prependRepeat
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/PeptideStubMover_prependRepeat/command.sh
Finished ligand_dock_ensemble in 832 seconds [~ 661 test (82.11180124223603%) started, 144 in queue, 48 running]
Running Test ModifyVariantTypeMover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ModifyVariantTypeMover/command.sh
Finished hbnet_use_input_rot in 57 seconds [~ 662 test (82.2360248447205%) started, 143 in queue, 48 running]
Running Test InterfaceAnalyzer_prepack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer_prepack/command.sh
Finished make_symmdef_file in 77 seconds [~ 663 test (82.36024844720497%) started, 142 in queue, 48 running]
Finished StrandHelixGeometryFilter in 29 seconds [~ 663 test (82.36024844720497%) started, 142 in queue, 47 running]
Running Test FlipChirality
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/FlipChirality/command.sh
Running Test AddConstraintsToCurrentConformationMover
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/AddConstraintsToCurrentConformationMover/command.sh
Finished test_computed_saxs_spectrum in 36 seconds [~ 665 test (82.6086956521739%) started, 140 in queue, 48 running]
Running Test vancomycin
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/vancomycin/command.sh
Finished StrandCurvatureByLevels in 30 seconds [~ 666 test (82.73291925465838%) started, 139 in queue, 48 running]
Running Test swa_rna_gagu_03_append_to_silent
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_03_append_to_silent/command.sh
Finished HelixBendFilter in 29 seconds [~ 667 test (82.85714285714286%) started, 138 in queue, 48 running]
Running Test silent2frag
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/silent2frag/command.sh
Finished referencepose_mutateresidue in 24 seconds [~ 668 test (82.98136645962732%) started, 137 in queue, 48 running]
Running Test rb_recces
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rb_recces/command.sh
Finished set_torsion in 25 seconds [~ 669 test (83.1055900621118%) started, 136 in queue, 48 running]
Running Test mpi_multistate_design
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mpi_multistate_design/command.sh
Finished abinitio in 32 seconds [~ 670 test (83.22981366459628%) started, 135 in queue, 48 running]
Running Test assemble_domains_jd2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/assemble_domains_jd2/command.sh
Finished rna_puzzle6_U75G76A77_on_thread1 in 26 seconds [~ 671 test (83.35403726708074%) started, 134 in queue, 48 running]
Running Test antibody_numbering_converter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/antibody_numbering_converter/command.sh
Finished mp_dock_setup in 22 seconds [~ 672 test (83.47826086956522%) started, 133 in queue, 48 running]
Running Test site_constraint
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/site_constraint/command.sh
Finished swa_rna_gagu_12_helix_addition in 28 seconds [~ 673 test (83.6024844720497%) started, 132 in queue, 48 running]
Running Test rna_farfar_noncanonical_hairpin
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_farfar_noncanonical_hairpin/command.sh
Finished phiselector in 25 seconds [~ 674 test (83.72670807453416%) started, 131 in queue, 48 running]
Running Test r_pdb2top
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/r_pdb2top/command.sh
Finished helical_bundle in 25 seconds [~ 675 test (83.85093167701864%) started, 130 in queue, 48 running]
Running Test pepspec_anchor_dock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pepspec_anchor_dock/command.sh
Finished silent2frag in 6 seconds [~ 676 test (83.9751552795031%) started, 129 in queue, 48 running]
Running Test identify_cdr_clusters
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/identify_cdr_clusters/command.sh
Finished mp_dock_prepack in 13 seconds [~ 677 test (84.09937888198758%) started, 128 in queue, 48 running]
Running Test fragment_picker
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fragment_picker/command.sh
Finished recces_turner in 30 seconds [~ 678 test (84.22360248447205%) started, 127 in queue, 48 running]
Finished mp_interface_statistics in 13 seconds [~ 678 test (84.22360248447205%) started, 127 in queue, 47 running]
Running Test phosphonate
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/phosphonate/command.sh
Running Test metalloprotein_broker
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/metalloprotein_broker/command.sh
Finished binselector_probins in 25 seconds [~ 680 test (84.472049689441%) started, 125 in queue, 48 running]
Finished InterfaceAnalyzer_resfile in 19 seconds [~ 680 test (84.472049689441%) started, 125 in queue, 47 running]
Running Test include_cc_check
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/include_cc_check/command.sh
Running Test docking_prepack
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_prepack/command.sh
Finished backbonegridsampler in 25 seconds [~ 682 test (84.72049689440993%) started, 123 in queue, 48 running]
Running Test InterfaceAnalyzer_tracer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer_tracer/command.sh
Finished genkic_bin_setting in 27 seconds [~ 683 test (84.84472049689441%) started, 122 in queue, 48 running]
Finished include_cc_check in 0 seconds [~ 683 test (84.84472049689441%) started, 122 in queue, 47 running]
Running Test InterfaceAnalyzer_allscores
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer_allscores/command.sh
Running Test InterfaceAnalyzer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/InterfaceAnalyzer/command.sh
Finished zinc_homodimer_design in 49 seconds [~ 685 test (85.09316770186335%) started, 120 in queue, 48 running]
Running Test swa_rna_gagu_21_prepend_dinucleotide_on_dinucleotide_by_jump
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_21_prepend_dinucleotide_on_dinucleotide_by_jump/command.sh
Finished r_pdb2top in 6 seconds [~ 686 test (85.21739130434783%) started, 119 in queue, 48 running]
Running Test swa_rna_gagu_17_append_floating_base
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_17_append_floating_base/command.sh
Finished site_constraint in 9 seconds [~ 687 test (85.3416149068323%) started, 118 in queue, 48 running]
Running Test swa_rna_gagu_08_append_dinucleotide
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_08_append_dinucleotide/command.sh
Finished InterfaceAnalyzer_bothpack in 22 seconds [~ 688 test (85.46583850931677%) started, 117 in queue, 48 running]
Running Test swa_rna_gagu_06_append_to_3primeterminus
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_06_append_to_3primeterminus/command.sh
Finished LoopLengthChange in 25 seconds [~ 689 test (85.59006211180125%) started, 116 in queue, 48 running]
Running Test swa_rna_gagu_05_prepend_to_5primeterminus
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_05_prepend_to_5primeterminus/command.sh
Finished SecondaryStructureFilter in 28 seconds [~ 690 test (85.71428571428571%) started, 115 in queue, 48 running]
Finished pwsho in 18 seconds [~ 690 test (85.71428571428571%) started, 115 in queue, 47 running]
Running Test swa_rna_gagu_01_append
Running Test swa_rna_gagu_02_prepend
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_01_append/command.sh
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_02_prepend/command.sh
Finished unfolded_state_energy_calc in 22 seconds [~ 692 test (85.96273291925466%) started, 113 in queue, 48 running]
Running Test struc_set_fragment_picker
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/struc_set_fragment_picker/command.sh
Finished OversaturatedHbondAcceptorFilter in 30 seconds [~ 693 test (86.08695652173913%) started, 112 in queue, 48 running]
Running Test rna_helix
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_helix/command.sh
Finished add_job_pair_data in 31 seconds [~ 694 test (86.2111801242236%) started, 111 in queue, 48 running]
Running Test rna_denovo_grid_vdw
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_grid_vdw/command.sh
Finished cst_info in 32 seconds [~ 695 test (86.33540372670808%) started, 110 in queue, 48 running]
Running Test hotspot_stub_constraints
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hotspot_stub_constraints/command.sh
Finished MutateResidue_selector in 30 seconds [~ 696 test (86.45962732919254%) started, 109 in queue, 48 running]
Running Test glycan_clash_check
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/glycan_clash_check/command.sh
Finished metalloprotein_broker in 10 seconds [~ 697 test (86.58385093167702%) started, 108 in queue, 48 running]
Running Test geometric_solvation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/geometric_solvation/command.sh
Finished InterfaceAnalyzer_prepack in 20 seconds [~ 698 test (86.7080745341615%) started, 107 in queue, 48 running]
Finished swa_rna_gagu_03_append_to_silent in 18 seconds [~ 698 test (86.7080745341615%) started, 107 in queue, 47 running]
Running Test ProQ
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ProQ/command.sh
Running Test swm_rna_move_align_dock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_move_align_dock/command.sh
Finished hbondstoresidue_selector in 24 seconds [~ 700 test (86.95652173913044%) started, 105 in queue, 48 running]
Running Test swa_rna_gagu_20_append_floating_base_by_jump
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_20_append_floating_base_by_jump/command.sh
Finished FilterReportAsPoseExtraScoresMover in 30 seconds [~ 701 test (87.0807453416149%) started, 104 in queue, 48 running]
Running Test swa_rna_gagu_19_prepend_floating_base_by_jump
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_19_prepend_floating_base_by_jump/command.sh
Finished antibody_numbering_converter in 17 seconds [~ 702 test (87.20496894409938%) started, 103 in queue, 48 running]
Running Test swa_rna_gagu_07_prepend_dinucleotide
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_07_prepend_dinucleotide/command.sh
Finished genkic_bin_sampling in 26 seconds [~ 703 test (87.32919254658385%) started, 102 in queue, 48 running]
Running Test sequence_tolerance
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sequence_tolerance/command.sh
Finished backrub in 150 seconds [~ 704 test (87.45341614906832%) started, 101 in queue, 48 running]
Running Test score_jd2
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/score_jd2/command.sh
Finished real_virt_mover in 30 seconds [~ 705 test (87.5776397515528%) started, 100 in queue, 48 running]
Finished fragment_picker in 15 seconds [~ 705 test (87.5776397515528%) started, 100 in queue, 47 running]
Running Test orbitals
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/orbitals/command.sh
Running Test mp_transform
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_transform/command.sh
Finished ModifyVariantTypeMover in 25 seconds [~ 707 test (87.82608695652173%) started, 98 in queue, 48 running]
Running Test fragmentpicker_integration_demo
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fragmentpicker_integration_demo/command.sh
Finished phosphonate in 16 seconds [~ 708 test (87.95031055900621%) started, 97 in queue, 48 running]
Running Test fold_and_dock
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fold_and_dock/command.sh
Finished assemble_domains_jd2 in 22 seconds [~ 709 test (88.07453416149069%) started, 96 in queue, 48 running]
Running Test extract_atomtree_diffs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/extract_atomtree_diffs/command.sh
Finished identify_cdr_clusters in 17 seconds [~ 710 test (88.19875776397515%) started, 95 in queue, 48 running]
Running Test docking_low_res
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_low_res/command.sh
Finished rb_recces in 24 seconds [~ 711 test (88.32298136645963%) started, 94 in queue, 48 running]
Running Test swm_protein_preminimize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_protein_preminimize/command.sh
Finished swa_rna_gagu_21_prepend_dinucleotide_on_dinucleotide_by_jump in 15 seconds [~ 712 test (88.4472049689441%) started, 93 in queue, 48 running]
Running Test swm_protein_from_scratch
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_protein_from_scratch/command.sh
Finished PeptideStubMover_prependRepeat in 28 seconds [~ 713 test (88.57142857142857%) started, 92 in queue, 48 running]
Running Test swa_rna_loop_clusterer
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_loop_clusterer/command.sh
Finished features_pdb in 43 seconds [~ 714 test (88.69565217391305%) started, 91 in queue, 48 running]
Finished InterfaceAnalyzer_allscores in 16 seconds [~ 714 test (88.69565217391305%) started, 91 in queue, 47 running]
Running Test shobuns
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/shobuns/command.sh
Running Test rna_ribosome_tether
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_ribosome_tether/command.sh
Finished pepspec_anchor_dock in 19 seconds [~ 716 test (88.94409937888199%) started, 89 in queue, 48 running]
Finished InterfaceAnalyzer_tracer in 17 seconds [~ 716 test (88.94409937888199%) started, 89 in queue, 47 running]
Running Test rna_minimize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_minimize/command.sh
Running Test rna_denovo_bps_helix_ends
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_bps_helix_ends/command.sh
Finished swa_rna_gagu_05_prepend_to_5primeterminus in 14 seconds [~ 718 test (89.19254658385093%) started, 87 in queue, 48 running]
Running Test rna_denovo_bps_fixed_ends
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_denovo_bps_fixed_ends/command.sh
Finished mpi_multistate_design in 26 seconds [~ 719 test (89.3167701863354%) started, 86 in queue, 48 running]
Running Test pna
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pna/command.sh
Finished AddConstraintsToCurrentConformationMover in 28 seconds [~ 720 test (89.44099378881988%) started, 85 in queue, 48 running]
Finished glycan_clash_check in 11 seconds [~ 720 test (89.44099378881988%) started, 85 in queue, 47 running]
Running Test per_residue_energies
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/per_residue_energies/command.sh
Running Test match_1c2t
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/match_1c2t/command.sh
Finished swa_rna_gagu_08_append_dinucleotide in 16 seconds [~ 722 test (89.68944099378882%) started, 83 in queue, 48 running]
Running Test jrelax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/jrelax/command.sh
Finished struc_set_fragment_picker in 14 seconds [~ 723 test (89.8136645962733%) started, 82 in queue, 48 running]
Running Test ig_dump
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ig_dump/command.sh
Finished swa_rna_gagu_06_append_to_3primeterminus in 16 seconds [~ 724 test (89.93788819875776%) started, 81 in queue, 48 running]
Finished swa_rna_gagu_01_append in 16 seconds [~ 724 test (89.93788819875776%) started, 81 in queue, 47 running]
Running Test erraser_minimize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/erraser_minimize/command.sh
Running Test density_tools
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/density_tools/command.sh
Finished FlipChirality in 30 seconds [~ 726 test (90.1863354037267%) started, 79 in queue, 48 running]
Finished swa_rna_gagu_02_prepend in 16 seconds [~ 726 test (90.1863354037267%) started, 79 in queue, 47 running]
Running Test database_jd2_io
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/database_jd2_io/command.sh
Running Test database_jd2_compact_io
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/database_jd2_compact_io/command.sh
Finished swa_rna_gagu_17_append_floating_base in 19 seconds [~ 728 test (90.43478260869566%) started, 77 in queue, 48 running]
Finished swa_rna_loop_clusterer in 4 seconds [~ 728 test (90.43478260869566%) started, 77 in queue, 47 running]
Running Test c-term_conjugation
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/c-term_conjugation/command.sh
Running Test angle_recovery_stats
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/angle_recovery_stats/command.sh
Finished rna_denovo_grid_vdw in 15 seconds [~ 730 test (90.6832298136646%) started, 75 in queue, 48 running]
Running Test swa_rna_loop_sampler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_loop_sampler/command.sh
Finished UBQ_E2_thioester_two_ubiquitins in 62 seconds [~ 731 test (90.80745341614907%) started, 74 in queue, 48 running]
Running Test mg_modeler
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mg_modeler/command.sh
Finished rosetta_scripts_hbond_options in 80 seconds [~ 732 test (90.93167701863354%) started, 73 in queue, 48 running]
Finished geometric_solvation in 13 seconds [~ 732 test (90.93167701863354%) started, 73 in queue, 47 running]
Running Test gen_lig_grids
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/gen_lig_grids/command.sh
Running Test distances
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/distances/command.sh
Finished hotspot_stub_constraints in 17 seconds [~ 734 test (91.18012422360249%) started, 71 in queue, 48 running]
Running Test cs_rosetta_rna
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cs_rosetta_rna/command.sh
Finished ProQ in 15 seconds [~ 735 test (91.30434782608695%) started, 70 in queue, 48 running]
Running Test swm_rna_move_two_strands
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swm_rna_move_two_strands/command.sh
Finished rna_helix in 19 seconds [~ 736 test (91.42857142857143%) started, 69 in queue, 48 running]
Running Test super_aln
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/super_aln/command.sh
Finished InterfaceDdG in 74 seconds [~ 737 test (91.5527950310559%) started, 68 in queue, 48 running]
Running Test rotamer_recovery_compare_two_structures
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rotamer_recovery_compare_two_structures/command.sh
Finished docking_prepack in 25 seconds [~ 738 test (91.67701863354037%) started, 67 in queue, 48 running]
Finished fragmentpicker_integration_demo in 11 seconds [~ 738 test (91.67701863354037%) started, 67 in queue, 47 running]
Running Test pH_mode
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pH_mode/command.sh
Running Test header_using_check
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/header_using_check/command.sh
>>> Illegal 'using namespace' in headers detected!
Encounter error while executing: ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/header_using_check/command.sh
*** Test header_using_check did not run! Check your --mode flag and paths. [2025-03-10 13:38:59.797631]
Finished header_using_check in 0 seconds [~ 740 test (91.92546583850931%) started, 65 in queue, 48 running]
Running Test fix_alignment_to_match_pdb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fix_alignment_to_match_pdb/command.sh
Finished mp_transform in 12 seconds [~ 741 test (92.04968944099379%) started, 64 in queue, 48 running]
Running Test docking_local_refine_min
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/docking_local_refine_min/command.sh
Finished swa_rna_gagu_20_append_floating_base_by_jump in 16 seconds [~ 742 test (92.17391304347827%) started, 63 in queue, 48 running]
Running Test sweep_respair_energies
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/sweep_respair_energies/command.sh
Finished angle_recovery_stats in 5 seconds [~ 743 test (92.29813664596273%) started, 62 in queue, 48 running]
Running Test swa_rna_gagu_04_clustering
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/swa_rna_gagu_04_clustering/command.sh
Finished swa_rna_gagu_07_prepend_dinucleotide in 15 seconds [~ 744 test (92.4223602484472%) started, 61 in queue, 48 running]
Running Test select_best_unique_ligand_poses
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/select_best_unique_ligand_poses/command.sh
Finished swa_rna_gagu_19_prepend_floating_base_by_jump in 16 seconds [~ 745 test (92.54658385093168%) started, 60 in queue, 48 running]
Running Test pocket_suggest_targets
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/pocket_suggest_targets/command.sh
Finished fold_and_dock in 12 seconds [~ 746 test (92.67080745341615%) started, 59 in queue, 48 running]
Running Test mp_loadtime
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_loadtime/command.sh
Finished swm_rna_move_align_dock in 18 seconds [~ 747 test (92.79503105590062%) started, 58 in queue, 48 running]
Running Test mg_modeler_lores
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mg_modeler_lores/command.sh
Finished rna_denovo_bps_helix_ends in 11 seconds [~ 748 test (92.9192546583851%) started, 57 in queue, 48 running]
Running Test measure_lcaa_radii
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/measure_lcaa_radii/command.sh
Finished extract_atomtree_diffs in 13 seconds [~ 749 test (93.04347826086956%) started, 56 in queue, 48 running]
Running Test contactMap
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/contactMap/command.sh
Finished shobuns in 12 seconds [~ 750 test (93.16770186335404%) started, 55 in queue, 48 running]
Running Test constel
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/constel/command.sh
Finished vancomycin in 39 seconds [~ 751 test (93.2919254658385%) started, 54 in queue, 48 running]
Running Test buried_unsat_kinemage
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/buried_unsat_kinemage/command.sh
Finished swm_protein_preminimize in 13 seconds [~ 752 test (93.41614906832298%) started, 53 in queue, 48 running]
Running Test RescorePDDF
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/RescorePDDF/command.sh
Finished rna_ribosome_tether in 13 seconds [~ 753 test (93.54037267080746%) started, 52 in queue, 48 running]
Running Test template_features
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/template_features/command.sh
Finished sequence_tolerance in 18 seconds [~ 754 test (93.66459627329192%) started, 51 in queue, 48 running]
Finished rna_denovo_bps_fixed_ends in 12 seconds [~ 755 test (93.7888198757764%) started, 50 in queue, 48 running]
Running Test noe_assignment
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/noe_assignment/command.sh
Running Test motif_extraction
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/motif_extraction/command.sh
Finished orbitals in 17 seconds [~ 756 test (93.91304347826087%) started, 49 in queue, 48 running]
Running Test cstfile_to_theozyme_pdb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cstfile_to_theozyme_pdb/command.sh
Finished antibody_H3 in 600 seconds [~ 757 test (94.03726708074534%) started, 48 in queue, 48 running]
Running Test rna_screen_phosphates
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_screen_phosphates/command.sh
Finished super_aln in 6 seconds [~ 758 test (94.16149068322981%) started, 47 in queue, 48 running]
Running Test rna_score
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_score/command.sh
Finished c-term_conjugation in 10 seconds [~ 759 test (94.28571428571429%) started, 46 in queue, 48 running]
Finished swa_rna_gagu_04_clustering in 4 seconds [~ 759 test (94.28571428571429%) started, 46 in queue, 47 running]
Running Test nucleobase_sample_around
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/nucleobase_sample_around/command.sh
Running Test fit_helixparams_rms
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fit_helixparams_rms/command.sh
Finished jrelax in 13 seconds [~ 761 test (94.53416149068323%) started, 44 in queue, 48 running]
Running Test cluster_calibur
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/cluster_calibur/command.sh
Calibur clustering has been broken since its inception.
The external version was never successfully integration tested because
of typos in the integration test. The version ported to Rosetta has never
worked either.
Since now it causes hard-failures on release_debug, it needs to be
deactivated for now.
Finished cluster_calibur in 0 seconds [~ 762 test (94.6583850931677%) started, 43 in queue, 48 running]
Running Test DARC_shapeonly
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/DARC_shapeonly/command.sh
Finished per_residue_energies in 13 seconds [~ 763 test (94.78260869565217%) started, 42 in queue, 48 running]
Finished match_1c2t in 13 seconds [~ 763 test (94.78260869565217%) started, 42 in queue, 47 running]
Finished ig_dump in 13 seconds [~ 763 test (94.78260869565217%) started, 42 in queue, 46 running]
Running Test test_idealize
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/test_idealize/command.sh
Running Test rna_minimize_6D_loop_close
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_minimize_6D_loop_close/command.sh
Running Test report_hbonds_for_plugin
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/report_hbonds_for_plugin/command.sh
grep: full_minimize_temp_1.out: No such file or directory
Finished erraser_minimize in 13 seconds [~ 766 test (95.15527950310559%) started, 39 in queue, 48 running]
Finished select_best_unique_ligand_poses in 6 seconds [~ 766 test (95.15527950310559%) started, 39 in queue, 47 running]
Running Test per_residue_sc_sasa
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/per_residue_sc_sasa/command.sh
Running Test oop_create
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/oop_create/command.sh
Finished density_tools in 14 seconds [~ 768 test (95.40372670807453%) started, 37 in queue, 48 running]
Running Test minimize_6Dloopclose
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/minimize_6Dloopclose/command.sh
Finished contactMap in 5 seconds [~ 769 test (95.527950310559%) started, 36 in queue, 48 running]
Running Test ld_converter
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ld_converter/command.sh
Finished docking_low_res in 19 seconds [~ 770 test (95.65217391304348%) started, 35 in queue, 48 running]
Running Test features_database_schema
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/features_database_schema/command.sh
Finished swa_rna_loop_sampler in 12 seconds [~ 771 test (95.77639751552795%) started, 34 in queue, 48 running]
Running Test centroid_disulfide_scores
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/centroid_disulfide_scores/command.sh
Finished distances in 12 seconds [~ 772 test (95.90062111801242%) started, 33 in queue, 48 running]
Running Test DARC_electrostatics
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/DARC_electrostatics/command.sh
Finished mp_loadtime in 7 seconds [~ 773 test (96.0248447204969%) started, 32 in queue, 48 running]
Running Test rna_suitename
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_suitename/command.sh
Finished score_jd2 in 23 seconds [~ 774 test (96.14906832298136%) started, 31 in queue, 48 running]
Finished gen_lig_grids in 13 seconds [~ 774 test (96.14906832298136%) started, 31 in queue, 47 running]
Finished pH_mode in 10 seconds [~ 774 test (96.14906832298136%) started, 31 in queue, 46 running]
Finished template_features in 5 seconds [~ 774 test (96.14906832298136%) started, 31 in queue, 45 running]
Running Test rna_add_WC_stats
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_add_WC_stats/command.sh
Running Test rings
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rings/command.sh
Running Test ralford_dump_rotamers
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/ralford_dump_rotamers/command.sh
Running Test mp_span_from_pdb
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_span_from_pdb/command.sh
Finished cs_rosetta_rna in 12 seconds [~ 778 test (96.64596273291926%) started, 27 in queue, 48 running]
Running Test make_exemplar
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/make_exemplar/command.sh
Finished rna_minimize in 19 seconds [~ 779 test (96.77018633540372%) started, 26 in queue, 48 running]
Finished mg_modeler in 14 seconds [~ 779 test (96.77018633540372%) started, 26 in queue, 47 running]
Running Test loop_hash
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/loop_hash/command.sh
Running Test fit_helixparams_a3b
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fit_helixparams_a3b/command.sh
Finished swm_rna_move_two_strands in 12 seconds [~ 781 test (97.01863354037268%) started, 24 in queue, 48 running]
Running Test code_template_tests_src
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/code_template_tests_src/command.sh
Finished rotamer_recovery_compare_two_structures in 12 seconds [~ 782 test (97.14285714285714%) started, 23 in queue, 48 running]
Finished cstfile_to_theozyme_pdb in 6 seconds [~ 782 test (97.14285714285714%) started, 23 in queue, 47 running]
Running Test calculate_sasa
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/calculate_sasa/command.sh
Running Test CCD_loop_closure
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/CCD_loop_closure/command.sh
Finished sweep_respair_energies in 11 seconds [~ 784 test (97.3913043478261%) started, 21 in queue, 48 running]
Running Test test_d_l_readin
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/test_d_l_readin/command.sh
Finished report_hbonds_for_plugin in 5 seconds [~ 785 test (97.51552795031056%) started, 20 in queue, 48 running]
Running Test rna_cluster
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rna_cluster/command.sh
Finished rna_minimize_6D_loop_close in 5 seconds [~ 786 test (97.63975155279503%) started, 19 in queue, 48 running]
Running Test r_rmsf
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/r_rmsf/command.sh
test_general
test_abstract
test_mover
test_ws_energy_method
test_1b_energy_method
test_2b_energy_method
test_task_operation
test_features_reporter
test_residue_selector
test_residue_selector_in_core
test_crosslinker_mover_helper
test_util
Encounter error while executing: ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/code_template_tests_src/command.sh
*** Test code_template_tests_src did not run! Check your --mode flag and paths. [2025-03-10 13:39:12.750163]
Finished mp_span_from_pdb in 2 seconds [~ 787 test (97.7639751552795%) started, 18 in queue, 48 running]
Running Test number_of_residuetypes
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/number_of_residuetypes/command.sh
Finished fix_alignment_to_match_pdb in 12 seconds [~ 788 test (97.88819875776397%) started, 17 in queue, 48 running]
Finished DARC_shapeonly in 6 seconds [~ 788 test (97.88819875776397%) started, 17 in queue, 47 running]
Finished per_residue_sc_sasa in 5 seconds [~ 788 test (97.88819875776397%) started, 17 in queue, 46 running]
Finished code_template_tests_src in 1 seconds [~ 788 test (97.88819875776397%) started, 17 in queue, 45 running]
Running Test non-canonical_connectivities
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/non-canonical_connectivities/command.sh
Running Test fit_helixparams
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/fit_helixparams/command.sh
Running Test combine_silent
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/combine_silent/command.sh
Running Test BuildPeptide
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/BuildPeptide/command.sh
Finished swm_protein_from_scratch in 22 seconds [~ 792 test (98.38509316770187%) started, 13 in queue, 48 running]
Finished motif_extraction in 8 seconds [~ 792 test (98.38509316770187%) started, 13 in queue, 47 running]
Finished loop_hash in 2 seconds [~ 792 test (98.38509316770187%) started, 13 in queue, 46 running]
Running Test rosetta_scripts_info
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/rosetta_scripts_info/command.sh
Running Test score_aln
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/score_aln/command.sh
Running Test mp_quick_relax
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/mp_quick_relax/command.sh
Finished rna_suitename in 3 seconds [~ 795 test (98.75776397515529%) started, 10 in queue, 48 running]
Finished mp_quick_relax in 0 seconds [~ 795 test (98.75776397515529%) started, 10 in queue, 47 running]
Running Test hierarchical_clustering
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/hierarchical_clustering/command.sh
Running Test features_scientific_benchmark
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/features_scientific_benchmark/command.sh
Finished score_aln in 0 seconds [~ 797 test (99.00621118012423%) started, 8 in queue, 48 running]
Finished features_scientific_benchmark in 0 seconds [~ 797 test (99.00621118012423%) started, 8 in queue, 47 running]
Running Test features_postgres
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/features_postgres/command.sh
Running Test extract_pdbs
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/extract_pdbs/command.sh
Finished test_idealize in 6 seconds [~ 799 test (99.25465838509317%) started, 6 in queue, 48 running]
Finished features_postgres in 0 seconds [~ 799 test (99.25465838509317%) started, 6 in queue, 47 running]
Running Test crossaln
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/crossaln/command.sh
Running Test code_template_tests_unit
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/code_template_tests_unit/command.sh
Finished noe_assignment in 9 seconds [~ 801 test (99.5031055900621%) started, 4 in queue, 48 running]
Finished fit_helixparams_rms in 7 seconds [~ 801 test (99.5031055900621%) started, 4 in queue, 47 running]
Finished minimize_6Dloopclose in 5 seconds [~ 801 test (99.5031055900621%) started, 4 in queue, 46 running]
Finished code_template_tests_unit in 0 seconds [~ 801 test (99.5031055900621%) started, 4 in queue, 45 running]
Running Test code_template_tests_app
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/code_template_tests_app/command.sh
Running Test central_class_modification
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/central_class_modification/command.sh
Running Test Werror_check
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/Werror_check/command.sh
Running Test RescoreSAXS
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/RescoreSAXS/command.sh
Checking the status of the -Werror option in the Scons build settings:
PASS
Checking the status of the -Werror option in the CMake build settings:
PASS
Finished pocket_suggest_targets in 12 seconds [~ 805 test (100.0%) started, 0 in queue, 48 running]
Finished hierarchical_clustering in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 47 running]
Finished extract_pdbs in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 46 running]
Finished central_class_modification in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 45 running]
Finished Werror_check in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 44 running]
Finished RescoreSAXS in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 43 running]
Running Test HOW_TO_MAKE_TESTS
ulimit -t 3600 && bash /home/benchmark/rosetta/tests/integration/new/HOW_TO_MAKE_TESTS/command.sh
Finished centroid_disulfide_scores in 5 seconds [~ 805 test (100.0%) started, 0 in queue, 42 running]
Finished rna_add_WC_stats in 4 seconds [~ 805 test (100.0%) started, 0 in queue, 41 running]
Finished code_template_tests_app in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 40 running]
Finished HOW_TO_MAKE_TESTS in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 39 running]
Finished mg_modeler_lores in 12 seconds [~ 805 test (100.0%) started, 0 in queue, 38 running]
Finished nucleobase_sample_around in 8 seconds [~ 805 test (100.0%) started, 0 in queue, 37 running]
Finished crossaln in 0 seconds [~ 805 test (100.0%) started, 0 in queue, 36 running]
Finished docking_local_refine_min in 14 seconds [~ 805 test (100.0%) started, 0 in queue, 35 running]
Finished RescorePDDF in 10 seconds [~ 805 test (100.0%) started, 0 in queue, 34 running]
Finished rna_screen_phosphates in 9 seconds [~ 805 test (100.0%) started, 0 in queue, 33 running]
Finished ralford_dump_rotamers in 4 seconds [~ 805 test (100.0%) started, 0 in queue, 32 running]
Finished fit_helixparams_a3b in 3 seconds [~ 805 test (100.0%) started, 0 in queue, 31 running]
Finished combine_silent in 1 seconds [~ 805 test (100.0%) started, 0 in queue, 30 running]
Finished fit_helixparams in 2 seconds [~ 805 test (100.0%) started, 0 in queue, 29 running]
Finished DARC_electrostatics in 5 seconds [~ 805 test (100.0%) started, 0 in queue, 28 running]
Finished buried_unsat_kinemage in 11 seconds [~ 805 test (100.0%) started, 0 in queue, 27 running]
Finished rings in 5 seconds [~ 805 test (100.0%) started, 0 in queue, 26 running]
Finished calculate_sasa in 3 seconds [~ 805 test (100.0%) started, 0 in queue, 25 running]
Finished rna_score in 9 seconds [~ 805 test (100.0%) started, 0 in queue, 24 running]
Finished oop_create in 7 seconds [~ 805 test (100.0%) started, 0 in queue, 23 running]
Finished test_d_l_readin in 3 seconds [~ 805 test (100.0%) started, 0 in queue, 22 running]
Finished measure_lcaa_radii in 13 seconds [~ 805 test (100.0%) started, 0 in queue, 21 running]
Finished rna_cluster in 3 seconds [~ 805 test (100.0%) started, 0 in queue, 20 running]
Finished r_rmsf in 3 seconds [~ 805 test (100.0%) started, 0 in queue, 19 running]
Finished ld_converter in 7 seconds [~ 805 test (100.0%) started, 0 in queue, 18 running]
Finished BuildPeptide in 3 seconds [~ 805 test (100.0%) started, 0 in queue, 17 running]
Finished constel in 12 seconds [~ 805 test (100.0%) started, 0 in queue, 16 running]
Finished number_of_residuetypes in 3 seconds [~ 805 test (100.0%) started, 0 in queue, 15 running]
Finished CCD_loop_closure in 5 seconds [~ 805 test (100.0%) started, 0 in queue, 14 running]
Finished make_exemplar in 7 seconds [~ 805 test (100.0%) started, 0 in queue, 13 running]
Finished rosetta_scripts_info in 7 seconds [~ 805 test (100.0%) started, 0 in queue, 12 running]
Finished antibody_H3_camelid in 183 seconds [~ 805 test (100.0%) started, 0 in queue, 11 running]
Finished non-canonical_connectivities in 8 seconds [~ 805 test (100.0%) started, 0 in queue, 10 running]
Finished InterfaceAnalyzer in 46 seconds [~ 805 test (100.0%) started, 0 in queue, 9 running]
Finished rna_farfar_noncanonical_hairpin in 57 seconds [~ 805 test (100.0%) started, 0 in queue, 8 running]
Finished seed_ensemble_JD2_JI in 128 seconds [~ 805 test (100.0%) started, 0 in queue, 7 running]
Finished ncaa_fixbb in 89 seconds [~ 805 test (100.0%) started, 0 in queue, 6 running]
Finished database_jd2_io in 39 seconds [~ 805 test (100.0%) started, 0 in queue, 5 running]
Finished database_jd2_compact_io in 40 seconds [~ 805 test (100.0%) started, 0 in queue, 4 running]
Finished pna in 42 seconds [~ 805 test (100.0%) started, 0 in queue, 3 running]
Finished docking_ensemble_prepack in 248 seconds [~ 805 test (100.0%) started, 0 in queue, 2 running]
Finished features_database_schema in 47 seconds [~ 805 test (100.0%) started, 0 in queue, 1 running]
Finished peptiderive in 413 seconds [~ 805 test (100.0%) started, 0 in queue, 0 running]
Skipping comparison/analysis phase because command line option "--skip-comparison" was specified...
Missing new/runtimes.yaml
──────────────── 'hojo-4' comparing commits:20656 linux.clang.integration.release_debug_no_symbols test_id=851407 vs. main:62142 previous_test_id=847958 ────────────────
{
"compared_with_test": {
"full_name": "linux.clang.integration.release_debug_no_symbols",
"name": "integration.release_debug_no_symbols",
"platform": {
"compiler": "clang",
"extras": [],
"os": "linux"
},
"platform_as_string": "linux.clang",
"revision": {
"branch": "main",
"revision_id": 62142
},
"state": "failed",
"test_id": 847958
},
"summary": {
"failed": 5,
"failed_tests": [
"SID_ERMS_prediction",
"SID_ERMS_Rescore",
"code_template_tests_src",
"header_using_check",
"app_exception_handling"
],
"total": 805
},
"tests": {
"AddConstraintsToCurrentConformationMover": {
"log": "",
"state": "passed"
},
"AlignPDBInfoToSequences": {
"log": "",
"state": "passed"
},
"AlterSpecDisruption": {
"log": "",
"state": "passed"
},
"AnchorFinder": {
"log": "",
"state": "passed"
},
"AnchoredDesign": {
"log": "",
"state": "passed"
},
"AnchoredPDBCreator": {
"log": "",
"state": "passed"
},
"BFactorSelector": {
"log": "",
"state": "passed"
},
"BuildPeptide": {
"log": "",
"state": "passed"
},
"CCD_loop_closure": {
"log": "",
"state": "passed"
},
"CCS_PARCS": {
"log": "",
"state": "passed"
},
"ConsensusLoopDesign": {
"log": "",
"state": "passed"
},
"ContactMolecularSurface": {
"log": "",
"state": "passed"
},
"DARC_electrostatics": {
"log": "",
"state": "passed"
},
"DARC_make_ray_files": {
"log": "",
"state": "passed"
},
"DARC_sampling_on_the_fly": {
"log": "",
"state": "passed"
},
"DARC_shapeonly": {
"log": "",
"state": "passed"
},
"DNA_methylation": {
"log": "",
"state": "passed"
},
"DumpTrajectoryEnergy": {
"log": "",
"state": "passed"
},
"DumpTrajectoryEnergy_packing": {
"log": "",
"state": "passed"
},
"Enzrevert_xml": {
"log": "",
"state": "passed"
},
"FavorSequenceProfileMover": {
"log": "",
"state": "passed"
},
"FilterReportAsPoseExtraScoresMover": {
"log": "",
"state": "passed"
},
"FlipChirality": {
"log": "",
"state": "passed"
},
"FloppyTail": {
"log": "",
"state": "passed"
},
"HDXEnergy": {
"log": "",
"state": "passed"
},
"HOW_TO_MAKE_TESTS": {
"log": "",
"state": "passed"
},
"HelixBendFilter": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_allscores": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_bothpack": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_ligand": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_metrics": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_prepack": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_resfile": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_tracer": {
"log": "",
"state": "passed"
},
"InterfaceDdG": {
"log": "",
"state": "passed"
},
"KIC_refine": {
"log": "",
"state": "passed"
},
"KIC_vicinity": {
"log": "",
"state": "passed"
},
"KIC_with_fragments": {
"log": "",
"state": "passed"
},
"LayerDesign": {
"log": "",
"state": "passed"
},
"LayerDesign_symm": {
"log": "",
"state": "passed"
},
"LayerSelector": {
"log": "",
"state": "passed"
},
"LoopAnalyzer": {
"log": "",
"state": "passed"
},
"LoopLengthChange": {
"log": "",
"state": "passed"
},
"ModifyVariantTypeMover": {
"log": "",
"state": "passed"
},
"MutateResidue_selector": {
"log": "",
"state": "passed"
},
"N-terminal_acetylation": {
"log": "",
"state": "passed"
},
"OversaturatedHbondAcceptorFilter": {
"log": "",
"state": "passed"
},
"PDB_diagnostic": {
"log": "",
"state": "passed"
},
"PTMPrediction": {
"log": "",
"state": "passed"
},
"PeptideCyclizeMover": {
"log": "",
"state": "passed"
},
"PeptideStubMover_prependRepeat": {
"log": "",
"state": "passed"
},
"PolarDesign2019": {
"log": "",
"state": "passed"
},
"ProQ": {
"log": "",
"state": "passed"
},
"RBOut": {
"log": "",
"state": "passed"
},
"ReadResfile_with_selector": {
"log": "",
"state": "passed"
},
"RescorePDDF": {
"log": "",
"state": "passed"
},
"RescoreSAXS": {
"log": "",
"state": "passed"
},
"ResidueDisorder": {
"log": "",
"state": "passed"
},
"RunSimpleMetric_b_factor_test": {
"log": "",
"state": "passed"
},
"SID_ERMS_Rescore": {
"log": "Brief Diff:\ndiff: /home/benchmark/working_dir/main:62142/SID_ERMS_Rescore: No such file or directory\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"
},
"SID_ERMS_prediction": {
"log": "Brief Diff:\nOnly in /home/benchmark/working_dir/main:62142/SID_ERMS_prediction: 1SWB_ERMS_pred.tsv\r\nFiles /home/benchmark/working_dir/main:62142/SID_ERMS_prediction/log and /home/benchmark/working_dir/commits:20656/SID_ERMS_prediction/log differ\r\nOnly in /home/benchmark/working_dir/commits:20656/SID_ERMS_prediction: ROSETTA_CRASH.log\r\nOnly in /home/benchmark/working_dir/commits:20656/SID_ERMS_prediction: .test_did_not_run.log\r\n\n\nFull Diff:\nOnly in /home/benchmark/working_dir/main:62142/SID_ERMS_prediction: 1SWB_ERMS_pred.tsv\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62142/SID_ERMS_prediction/log /home/benchmark/working_dir/commits:20656/SID_ERMS_prediction/log\r\n1,394c1,10\r\n< ******** (C) Copyright Rosetta Commons Member Institutions. ***************\r\n< * Use of Rosetta for commercial purposes may require purchase of a license. *\r\n< ******** See LICENSE.md or email license@uw.edu for more details. **********\r\n< core.init: Rosetta extras: []\r\n< core.init: command: ROSETTA/source/bin/SID_ERMS_prediction.default.linuxclangrelease_debug_no_symbols -in:path:database_cache_dir ROSETTA/.database-binaries/linuxclangrelease_debug_no_symbols @flags -database ROSETTA/database -testing:INTEGRATION_TEST\r\n< basic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111\r\n< basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937\r\n< apps.public.analysis.SID_ERMS_prediction: Complex type file has 4 chains.\r\n< apps.public.analysis.SID_ERMS_prediction: Chain 1: A\r\n< apps.public.analysis.SID_ERMS_prediction: Chain 2: B\r\n< apps.public.analysis.SID_ERMS_prediction: Chain 3: C\r\n< apps.public.analysis.SID_ERMS_prediction: Chain 4: D\r\n< apps.public.analysis.SID_ERMS_prediction: Interface type 1 has 2 symmetric interfaces. Interface A_B is used.\r\n< apps.public.analysis.SID_ERMS_prediction: Interface type 2 has 2 symmetric interfaces. Interface B_C is used.\r\n< apps.public.analysis.SID_ERMS_prediction: Interface type 3 has 2 symmetric interfaces. Interface A_C is used.\r\n< apps.public.analysis.SID_ERMS_prediction: Complex type read in\r\n< You entered: ./inputs/relax_1swb_ABCD_0001.pdb as the PDB file to be read\r\n< core.import_pose.import_pose: File './inputs/relax_1swb_ABCD_0001.pdb' automatically determined to be of type PDB\r\n< core.scoring.etable: Starting energy table calculation\r\n< core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well\r\n< core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)\r\n< core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)\r\n< core.scoring.etable: Finished calculating energy tables.\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv\r\n< basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb\r\n< basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb\r\n< basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt\r\n< basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt\r\n< basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt\r\n< basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt\r\n< basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA\r\n< basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n\r\n< core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.\r\n< basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Using explicit constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Using interface constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: D (D)\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: C (C)\r\n< basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat\r\n< core.scoring.elec.util: Read 40 countpair representative atoms\r\n< core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.\r\n< protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter\r\n< protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs\r\n< protocols.jd2.PDBJobInputter: pushed ./inputs/relax_1swb_ABCD_0001.pdb nstruct index 1\r\n< protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... \r\n< protocols.analysis.InterfaceAnalyzerMover: Making an interface set with fixed chains\r\n< protocols.analysis.InterfaceAnalyzerMover: Interface set residues total: 128\r\n< protocols.analysis.InterfaceAnalyzerMover: Detecting disulfides in the separated pose.\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating dSASA\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating per-res dSASA data\r\n< protocols.analysis.InterfaceAnalyzerMover: included_nres: 235\r\n< protocols.analysis.InterfaceAnalyzerMover: Making hbond ScoreFunction with bb-bb energy method options\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing delta unsat polar residues...\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv\r\n< basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv\r\n< EMPTY_JOB_use_jd2_0000: Residues missing H-bonds:\r\n< EMPTY_JOB_use_jd2_0000: Residue \t Chain \t Atom \r\n< EMPTY_JOB_use_jd2_0000: 40 \t A \t N\r\n< EMPTY_JOB_use_jd2_0000: 40 \t A \t O\r\n< EMPTY_JOB_use_jd2_0000: 40 \t A \t H\r\n< EMPTY_JOB_use_jd2_0000: 44 \t A \t NE\r\n< EMPTY_JOB_use_jd2_0000: 44 \t A \t HE\r\n< EMPTY_JOB_use_jd2_0000: 57 \t A \t N\r\n< EMPTY_JOB_use_jd2_0000: 57 \t A \t H\r\n< EMPTY_JOB_use_jd2_0000: 61 \t A \t OG1\r\n< EMPTY_JOB_use_jd2_0000: 63 \t A \t N\r\n< EMPTY_JOB_use_jd2_0000: 63 \t A \t H\r\n< EMPTY_JOB_use_jd2_0000: 76 \t A \t OG1\r\n< EMPTY_JOB_use_jd2_0000: 97 \t A \t O\r\n< EMPTY_JOB_use_jd2_0000: 161 \t B \t NE\r\n< EMPTY_JOB_use_jd2_0000: 161 \t B \t HE\r\n< EMPTY_JOB_use_jd2_0000: 162 \t B \t O\r\n< EMPTY_JOB_use_jd2_0000: 164 \t B \t N\r\n< EMPTY_JOB_use_jd2_0000: 164 \t B \t H\r\n< EMPTY_JOB_use_jd2_0000: 178 \t B \t OG1\r\n< EMPTY_JOB_use_jd2_0000: 193 \t B \t OG1\r\n< EMPTY_JOB_use_jd2_0000: 214 \t B \t O\r\n< protocols.analysis.InterfaceAnalyzerMover.missing_hbonds: pymol-style selection for unstat hbond res \r\n< select EMPTY_JOB_use_jd2_0000_unsat, /EMPTY_JOB_use_jd2_0000//A/40+40+40+44+44+57+57+61+63+63+76+97+ + /EMPTY_JOB_use_jd2_0000//B/161+161+162+164+164+178+193+214+\r\n< basic.io.database: Database file opened: scoring/score_functions/sc/sc_radii.lib\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing Shape Complementarity Score...\r\n< protocols.analysis.InterfaceAnalyzerMover: Upstream chain(s) numbers: 1, 3, 4, \r\n< protocols.analysis.InterfaceAnalyzerMover: Downstream chain(s) numbers: 2, \r\n< protocols.analysis.InterfaceAnalyzerMover.interface_selection: pymol-style selection for interface res \r\n< select EMPTY_JOB_use_jd2_0000_interface, /EMPTY_JOB_use_jd2_0000//A/21+22+23+24+25+39+40+41+42+43+44+45+46+47+48+49+50+52+53+54+55+56+57+58+59+60+61+62+63+64+65+70+71+72+73+74+75+76+77+78+79+80+81+82+90+91+92+93+94+95+96+97+98+99+100+101+103+104+107+108+109+110+112+ + /EMPTY_JOB_use_jd2_0000//B/141+142+143+144+145+156+157+158+159+160+161+162+163+164+165+166+167+169+170+171+172+173+174+175+176+177+178+179+180+181+182+187+188+189+190+191+192+193+194+195+196+197+198+199+205+207+208+209+210+211+212+213+214+215+216+217+218+220+221+224+225+226+227+228+229+\r\n< EMPTY_JOB_use_jd2_0000: TOTAL SASA: 22064\r\n< EMPTY_JOB_use_jd2_0000: NUMBER OF RESIDUES: 128\r\n< EMPTY_JOB_use_jd2_0000: AVG RESIDUE ENERGY: -3.39912\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE DELTA SASA: 3194.57\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE HYDROPHOBIC SASA: 1946.37\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE POLAR SASA: 1248.2\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY SUMS: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY DIFFERENCE: -96.188\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY/INTERFACE DELTA SASA: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY/INTERFACE DELTA SASA: -0.0301098\r\n< EMPTY_JOB_use_jd2_0000: DELTA UNSTAT HBONDS: 20\r\n< EMPTY_JOB_use_jd2_0000: CROSS INTERFACE HBONDS: 16\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY: -23.3244\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY/ SEPARATED INTERFACE ENERGY: 0.242487\r\n< EMPTY_JOB_use_jd2_0000: SHAPE COMPLEMENTARITY VALUE: 0.609028\r\n< protocols.analysis.InterfaceAnalyzerMover: Using explicit constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Using interface constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: A (A)\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: B (B)\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator Sasa_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceNeighborDefinition_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceDeltaEnergetics_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator NumberHBonds_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator BuriedUnsatisfiedPolars_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: Making an interface set with fixed chains\r\n< protocols.analysis.InterfaceAnalyzerMover: Interface set residues total: 129\r\n< protocols.analysis.InterfaceAnalyzerMover: Detecting disulfides in the separated pose.\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating dSASA\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating per-res dSASA data\r\n< protocols.analysis.InterfaceAnalyzerMover: included_nres: 230\r\n< protocols.analysis.InterfaceAnalyzerMover: Making hbond ScoreFunction with bb-bb energy method options\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing delta unsat polar residues...\r\n< EMPTY_JOB_use_jd2_0000: Residues missing H-bonds:\r\n< EMPTY_JOB_use_jd2_0000: Residue \t Chain \t Atom \r\n< EMPTY_JOB_use_jd2_0000: 272 \t D \t O\r\n< EMPTY_JOB_use_jd2_0000: 279 \t D \t N\r\n< EMPTY_JOB_use_jd2_0000: 279 \t D \t H\r\n< EMPTY_JOB_use_jd2_0000: 282 \t D \t N\r\n< EMPTY_JOB_use_jd2_0000: 282 \t D \t H\r\n< EMPTY_JOB_use_jd2_0000: 287 \t D \t O\r\n< EMPTY_JOB_use_jd2_0000: 295 \t D \t N\r\n< EMPTY_JOB_use_jd2_0000: 295 \t D \t H\r\n< EMPTY_JOB_use_jd2_0000: 329 \t D \t O\r\n< EMPTY_JOB_use_jd2_0000: 391 \t C \t NE\r\n< EMPTY_JOB_use_jd2_0000: 391 \t C \t HE\r\n< EMPTY_JOB_use_jd2_0000: 404 \t C \t N\r\n< EMPTY_JOB_use_jd2_0000: 404 \t C \t H\r\n< EMPTY_JOB_use_jd2_0000: 410 \t C \t N\r\n< EMPTY_JOB_use_jd2_0000: 410 \t C \t H\r\n< EMPTY_JOB_use_jd2_0000: 444 \t C \t O\r\n< protocols.analysis.InterfaceAnalyzerMover.missing_hbonds: pymol-style selection for unstat hbond res \r\n< select EMPTY_JOB_use_jd2_0000_unsat, /EMPTY_JOB_use_jd2_0000//D/272+279+279+282+282+287+295+295+329+ + /EMPTY_JOB_use_jd2_0000//C/391+391+404+404+410+410+444+\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing Shape Complementarity Score...\r\n< protocols.analysis.InterfaceAnalyzerMover: Upstream chain(s) numbers: 1, 2, 4, \r\n< protocols.analysis.InterfaceAnalyzerMover: Downstream chain(s) numbers: 3, \r\n< protocols.analysis.InterfaceAnalyzerMover.interface_selection: pymol-style selection for interface res \r\n< select EMPTY_JOB_use_jd2_0000_interface, /EMPTY_JOB_use_jd2_0000//D/256+257+258+259+260+271+272+273+274+275+276+277+278+279+280+281+282+284+285+286+287+288+289+290+291+292+293+294+295+296+297+302+303+304+305+306+307+308+309+310+311+312+313+314+320+322+323+324+325+326+327+328+329+330+331+332+333+335+336+339+340+341+342+343+344+ + /EMPTY_JOB_use_jd2_0000//C/371+372+373+374+375+386+387+388+389+390+391+392+393+394+395+396+397+399+400+401+402+403+404+405+406+407+408+409+410+411+412+417+418+419+420+421+422+423+424+425+426+427+428+429+435+437+438+439+440+441+442+443+444+445+446+447+448+450+451+454+455+456+457+459+\r\n< EMPTY_JOB_use_jd2_0000: TOTAL SASA: 22064\r\n< EMPTY_JOB_use_jd2_0000: NUMBER OF RESIDUES: 129\r\n< EMPTY_JOB_use_jd2_0000: AVG RESIDUE ENERGY: -3.35128\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE DELTA SASA: 3213.69\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE HYDROPHOBIC SASA: 1815.46\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE POLAR SASA: 1398.23\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY SUMS: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY DIFFERENCE: -98.4615\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY/INTERFACE DELTA SASA: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY/INTERFACE DELTA SASA: -0.0306382\r\n< EMPTY_JOB_use_jd2_0000: DELTA UNSTAT HBONDS: 16\r\n< EMPTY_JOB_use_jd2_0000: CROSS INTERFACE HBONDS: 18\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY: -25.919\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY/ SEPARATED INTERFACE ENERGY: 0.26324\r\n< EMPTY_JOB_use_jd2_0000: SHAPE COMPLEMENTARITY VALUE: 0.643707\r\n< apps.public.analysis.SID_ERMS_prediction: Interface A_B: B = 1628.73\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Using explicit constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Using interface constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: A (A)\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: D (D)\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator Sasa_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceNeighborDefinition_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceDeltaEnergetics_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator NumberHBonds_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator BuriedUnsatisfiedPolars_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: Making an interface set with fixed chains\r\n< protocols.analysis.InterfaceAnalyzerMover: Interface set residues total: 12\r\n< protocols.analysis.InterfaceAnalyzerMover: Detecting disulfides in the separated pose.\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating dSASA\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating per-res dSASA data\r\n< protocols.analysis.InterfaceAnalyzerMover: included_nres: 230\r\n< protocols.analysis.InterfaceAnalyzerMover: Making hbond ScoreFunction with bb-bb energy method options\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing delta unsat polar residues...\r\n< EMPTY_JOB_use_jd2_0000: Residues missing H-bonds:\r\n< EMPTY_JOB_use_jd2_0000: Residue \t Chain \t Atom \r\n< protocols.analysis.InterfaceAnalyzerMover.missing_hbonds: pymol-style selection for unstat hbond res \r\n< select EMPTY_JOB_use_jd2_0000_unsat, \r\n< protocols.analysis.InterfaceAnalyzerMover: Computing Shape Complementarity Score...\r\n< protocols.analysis.InterfaceAnalyzerMover: Upstream chain(s) numbers: 1, 2, 3, \r\n< protocols.analysis.InterfaceAnalyzerMover: Downstream chain(s) numbers: 4, \r\n< protocols.analysis.InterfaceAnalyzerMover.interface_selection: pymol-style selection for interface res \r\n< select EMPTY_JOB_use_jd2_0000_interface, /EMPTY_JOB_use_jd2_0000//B/195+209+211+227+228+229+ + /EMPTY_JOB_use_jd2_0000//C/425+439+441+457+458+459+\r\n< EMPTY_JOB_use_jd2_0000: TOTAL SASA: 27816\r\n< EMPTY_JOB_use_jd2_0000: NUMBER OF RESIDUES: 12\r\n< EMPTY_JOB_use_jd2_0000: AVG RESIDUE ENERGY: -1.85755\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE DELTA SASA: 326.982\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE HYDROPHOBIC SASA: 231.129\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE POLAR SASA: 95.8526\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY SUMS: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY DIFFERENCE: -5.30862\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY/INTERFACE DELTA SASA: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY/INTERFACE DELTA SASA: -0.0162352\r\n< EMPTY_JOB_use_jd2_0000: DELTA UNSTAT HBONDS: 0\r\n< EMPTY_JOB_use_jd2_0000: CROSS INTERFACE HBONDS: 1\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY: -1.17178\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY/ SEPARATED INTERFACE ENERGY: 0.220731\r\n< EMPTY_JOB_use_jd2_0000: SHAPE COMPLEMENTARITY VALUE: 0.686\r\n< protocols.analysis.InterfaceAnalyzerMover: Using explicit constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Using interface constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: B (B)\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: C (C)\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator Sasa_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceNeighborDefinition_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceDeltaEnergetics_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator NumberHBonds_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator BuriedUnsatisfiedPolars_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: Making an interface set with fixed chains\r\n< protocols.analysis.InterfaceAnalyzerMover: Interface set residues total: 15\r\n< protocols.analysis.InterfaceAnalyzerMover: Detecting disulfides in the separated pose.\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating dSASA\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating per-res dSASA data\r\n< protocols.analysis.InterfaceAnalyzerMover: included_nres: 235\r\n< protocols.analysis.InterfaceAnalyzerMover: Making hbond ScoreFunction with bb-bb energy method options\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing delta unsat polar residues...\r\n< EMPTY_JOB_use_jd2_0000: Residues missing H-bonds:\r\n< EMPTY_JOB_use_jd2_0000: Residue \t Chain \t Atom \r\n< protocols.analysis.InterfaceAnalyzerMover.missing_hbonds: pymol-style selection for unstat hbond res \r\n< select EMPTY_JOB_use_jd2_0000_unsat, \r\n< protocols.analysis.InterfaceAnalyzerMover: Computing Shape Complementarity Score...\r\n< protocols.analysis.InterfaceAnalyzerMover: Upstream chain(s) numbers: 1, 2, 4, \r\n< protocols.analysis.InterfaceAnalyzerMover: Downstream chain(s) numbers: 3, \r\n< protocols.analysis.InterfaceAnalyzerMover.interface_selection: pymol-style selection for interface res \r\n< select EMPTY_JOB_use_jd2_0000_interface, /EMPTY_JOB_use_jd2_0000//A/78+90+92+94+110+111+112+113+114+ + /EMPTY_JOB_use_jd2_0000//D/310+324+342+343+344+345+\r\n< EMPTY_JOB_use_jd2_0000: TOTAL SASA: 27816\r\n< EMPTY_JOB_use_jd2_0000: NUMBER OF RESIDUES: 15\r\n< EMPTY_JOB_use_jd2_0000: AVG RESIDUE ENERGY: -2.26391\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE DELTA SASA: 329.229\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE HYDROPHOBIC SASA: 193.688\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE POLAR SASA: 135.541\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY SUMS: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY DIFFERENCE: -7.39049\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY/INTERFACE DELTA SASA: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY/INTERFACE DELTA SASA: -0.0224478\r\n< EMPTY_JOB_use_jd2_0000: DELTA UNSTAT HBONDS: 0\r\n< EMPTY_JOB_use_jd2_0000: CROSS INTERFACE HBONDS: 2\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY: -2.59064\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY/ SEPARATED INTERFACE ENERGY: 0.350537\r\n< EMPTY_JOB_use_jd2_0000: SHAPE COMPLEMENTARITY VALUE: 0.480208\r\n< apps.public.analysis.SID_ERMS_prediction: Interface B_C: B = -478.461\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Using explicit constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Using interface constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: B (B)\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: D (D)\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator Sasa_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceNeighborDefinition_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceDeltaEnergetics_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator NumberHBonds_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator BuriedUnsatisfiedPolars_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: Making an interface set with fixed chains\r\n< protocols.analysis.InterfaceAnalyzerMover: Interface set residues total: 42\r\n< protocols.analysis.InterfaceAnalyzerMover: Detecting disulfides in the separated pose.\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating dSASA\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating per-res dSASA data\r\n< protocols.analysis.InterfaceAnalyzerMover: included_nres: 235\r\n< protocols.analysis.InterfaceAnalyzerMover: Making hbond ScoreFunction with bb-bb energy method options\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 4 and 1\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 1 and 4\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing delta unsat polar residues...\r\n< EMPTY_JOB_use_jd2_0000: Residues missing H-bonds:\r\n< EMPTY_JOB_use_jd2_0000: Residue \t Chain \t Atom \r\n< EMPTY_JOB_use_jd2_0000: 440 \t C \t NE1\r\n< EMPTY_JOB_use_jd2_0000: 440 \t C \t HE1\r\n< EMPTY_JOB_use_jd2_0000: 452 \t C \t N\r\n< EMPTY_JOB_use_jd2_0000: 452 \t C \t H\r\n< protocols.analysis.InterfaceAnalyzerMover.missing_hbonds: pymol-style selection for unstat hbond res \r\n< select EMPTY_JOB_use_jd2_0000_unsat, /EMPTY_JOB_use_jd2_0000//C/440+440+452+452+\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing Shape Complementarity Score...\r\n< protocols.analysis.InterfaceAnalyzerMover: Upstream chain(s) numbers: 1, 2, 3, \r\n< protocols.analysis.InterfaceAnalyzerMover: Downstream chain(s) numbers: 4, \r\n< protocols.analysis.InterfaceAnalyzerMover.interface_selection: pymol-style selection for interface res \r\n< select EMPTY_JOB_use_jd2_0000_interface, /EMPTY_JOB_use_jd2_0000//A/8+9+10+12+30+31+32+33+93+94+95+96+102+104+105+106+107+108+109+110+111+112+113+ + /EMPTY_JOB_use_jd2_0000//C/358+359+360+440+441+442+443+449+450+451+452+453+454+455+456+457+458+459+460+\r\n< EMPTY_JOB_use_jd2_0000: TOTAL SASA: 26325.4\r\n< EMPTY_JOB_use_jd2_0000: NUMBER OF RESIDUES: 42\r\n< EMPTY_JOB_use_jd2_0000: AVG RESIDUE ENERGY: -2.37096\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE DELTA SASA: 1173.18\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE HYDROPHOBIC SASA: 907.901\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE POLAR SASA: 265.278\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY SUMS: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY DIFFERENCE: -42.9576\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY/INTERFACE DELTA SASA: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY/INTERFACE DELTA SASA: -0.0366164\r\n< EMPTY_JOB_use_jd2_0000: DELTA UNSTAT HBONDS: 4\r\n< EMPTY_JOB_use_jd2_0000: CROSS INTERFACE HBONDS: 3\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY: -3.55281\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY/ SEPARATED INTERFACE ENERGY: 0.082705\r\n< EMPTY_JOB_use_jd2_0000: SHAPE COMPLEMENTARITY VALUE: 0.723282\r\n< protocols.analysis.InterfaceAnalyzerMover: Using explicit constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Using interface constructor\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: A (A)\r\n< protocols.analysis.InterfaceAnalyzerMover: Ignoring chain: C (C)\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator Sasa_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceNeighborDefinition_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator InterfaceDeltaEnergetics_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator NumberHBonds_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: [ WARNING ] In InterfaceAnalyzerMover, calculator BuriedUnsatisfiedPolars_1 already exists, this is hopefully correct for your purposes\r\n< protocols.analysis.InterfaceAnalyzerMover: Making an interface set with fixed chains\r\n< protocols.analysis.InterfaceAnalyzerMover: Interface set residues total: 35\r\n< protocols.analysis.InterfaceAnalyzerMover: Detecting disulfides in the separated pose.\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating dSASA\r\n< protocols.analysis.InterfaceAnalyzerMover: Calculating per-res dSASA data\r\n< protocols.analysis.InterfaceAnalyzerMover: included_nres: 230\r\n< protocols.analysis.InterfaceAnalyzerMover: Making hbond ScoreFunction with bb-bb energy method options\r\n< core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 2 and 3\r\n< protocols.analysis.InterfaceAnalyzerMover: Found Hbond between chains: 3 and 2\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing delta unsat polar residues...\r\n< EMPTY_JOB_use_jd2_0000: Residues missing H-bonds:\r\n< EMPTY_JOB_use_jd2_0000: Residue \t Chain \t Atom \r\n< EMPTY_JOB_use_jd2_0000: 210 \t B \t NE1\r\n< EMPTY_JOB_use_jd2_0000: 210 \t B \t HE1\r\n< protocols.analysis.InterfaceAnalyzerMover.missing_hbonds: pymol-style selection for unstat hbond res \r\n< select EMPTY_JOB_use_jd2_0000_unsat, /EMPTY_JOB_use_jd2_0000//B/210+210+\r\n< protocols.analysis.InterfaceAnalyzerMover: Computing Shape Complementarity Score...\r\n< protocols.analysis.InterfaceAnalyzerMover: Upstream chain(s) numbers: 1, 2, 4, \r\n< protocols.analysis.InterfaceAnalyzerMover: Downstream chain(s) numbers: 3, \r\n< protocols.analysis.InterfaceAnalyzerMover.interface_selection: pymol-style selection for interface res \r\n< select EMPTY_JOB_use_jd2_0000_interface, /EMPTY_JOB_use_jd2_0000//B/128+129+130+210+211+212+221+222+223+224+225+226+227+228+229+230+ + /EMPTY_JOB_use_jd2_0000//D/244+245+246+247+325+326+327+328+334+336+337+338+339+340+341+342+343+344+345+\r\n< EMPTY_JOB_use_jd2_0000: TOTAL SASA: 26325.4\r\n< EMPTY_JOB_use_jd2_0000: NUMBER OF RESIDUES: 35\r\n< EMPTY_JOB_use_jd2_0000: AVG RESIDUE ENERGY: -2.47457\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE DELTA SASA: 973.608\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE HYDROPHOBIC SASA: 788.107\r\n< EMPTY_JOB_use_jd2_0000: INTERFACE POLAR SASA: 185.501\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY SUMS: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY DIFFERENCE: -35.3551\r\n< EMPTY_JOB_use_jd2_0000: CROSS-INTERFACE ENERGY/INTERFACE DELTA SASA: 0\r\n< EMPTY_JOB_use_jd2_0000: SEPARATED INTERFACE ENERGY/INTERFACE DELTA SASA: -0.0363134\r\n< EMPTY_JOB_use_jd2_0000: DELTA UNSTAT HBONDS: 2\r\n< EMPTY_JOB_use_jd2_0000: CROSS INTERFACE HBONDS: 3\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY: -3.87076\r\n< EMPTY_JOB_use_jd2_0000: HBOND ENERGY/ SEPARATED INTERFACE ENERGY: 0.109483\r\n< EMPTY_JOB_use_jd2_0000: SHAPE COMPLEMENTARITY VALUE: 0.819565\r\n< apps.public.analysis.SID_ERMS_prediction: [ WARNING ] Interfaces A_C and B_D input as symmetric, but size varies by 17.0111 %. Based on the PDB file, there is a high likelihood that the complex type file is incorrect. It is recommended that you adjust the complex type file to remove the symmetry.\r\n< apps.public.analysis.SID_ERMS_prediction: Interface A_C: B = 170.135\r\n< apps.public.analysis.SID_ERMS_prediction: B values read in from structure\r\n< apps.public.analysis.SID_ERMS_prediction: Acceleration energies and ERMS read in from file\r\n< apps.public.analysis.SID_ERMS_prediction: Steepness = 0.0025\r\n< apps.public.analysis.SID_ERMS_prediction: ERMS simulation complete\r\n< apps.public.analysis.SID_ERMS_prediction: RMSE = 0.137739\r\n< apps.public.analysis.SID_ERMS_prediction: Output results complete.\r\n---\r\n> \r\n> ERROR: Assertion `( m_.find( sid ) == m_.end() ) || ( *( m_.find( sid )->second ) == key )` failed.\r\n> ERROR:: Exit from: src/utility/keys/KeyLookup.hh line: 357\r\n> \r\n> \r\n> \r\n> AN INTERNAL ERROR HAS OCCURED. PLEASE SEE THE CONTENTS OF ROSETTA_CRASH.log FOR DETAILS.\r\n> \r\n> \r\n> SID_ERMS_prediction.default.linuxclangrelease_debug_no_symbols: src/utility/keys/KeyLookup.hh:357: static void utility::keys::KeyLookup<utility::options::OptionKey>::insert(const std::string &, const Key_ &) [K = utility::options::OptionKey]: Assertion `( ( m_.find( sid ) == m_.end() ) || ( *( m_.find( sid )->second ) == key ) ) || handle_assert_failure( \"( m_.find( sid ) == m_.end() ) || ( *( m_.find( sid )->second ) == key )\", \"src/utility/keys/KeyLookup.hh\", 357 )' failed.\r\nOnly in /home/benchmark/working_dir/commits:20656/SID_ERMS_prediction: ROSETTA_CRASH.log\r\nOnly in /home/benchmark/working_dir/commits:20656/SID_ERMS_prediction: .test_did_not_run.log\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"
},
"SID_rescore": {
"log": "",
"state": "passed"
},
"SSElementSelector": {
"log": "",
"state": "passed"
},
"SecondaryStructureFilter": {
"log": "",
"state": "passed"
},
"SnugDock": {
"log": "",
"state": "passed"
},
"StrandCurvatureByLevels": {
"log": "",
"state": "passed"
},
"StrandHelixGeometryFilter": {
"log": "",
"state": "passed"
},
"ThreadingInputter": {
"log": "",
"state": "passed"
},
"TryDisulfPermutations": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester_extra_bodies": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester_two_ubiquitins": {
"log": "",
"state": "passed"
},
"UBQ_Gp_CYD-CYD": {
"log": "",
"state": "passed"
},
"UBQ_Gp_LYX-Cterm": {
"log": "",
"state": "passed"
},
"UnsatSelector": {
"log": "",
"state": "passed"
},
"Werror_check": {
"log": "",
"state": "passed"
},
"abinitio": {
"log": "",
"state": "passed"
},
"abinitio_with_trRosetta": {
"log": "",
"state": "passed"
},
"add_constraints_to_current_conformation": {
"log": "",
"state": "passed"
},
"add_helix_sequence_constraints": {
"log": "",
"state": "passed"
},
"add_helix_sequence_constraints_advanced_setup": {
"log": "",
"state": "passed"
},
"add_job_pair_data": {
"log": "",
"state": "passed"
},
"ambiguous_nmr_distance_constraint": {
"log": "",
"state": "passed"
},
"angle_recovery_stats": {
"log": "",
"state": "passed"
},
"antibody_H3": {
"log": "",
"state": "passed"
},
"antibody_H3_camelid": {
"log": "",
"state": "passed"
},
"antibody_cc": {
"log": "",
"state": "passed"
},
"antibody_designer": {
"log": "",
"state": "passed"
},
"antibody_designer_camelid": {
"log": "",
"state": "passed"
},
"antibody_designer_xml": {
"log": "",
"state": "passed"
},
"antibody_graft": {
"log": "",
"state": "passed"
},
"antibody_numbering_converter": {
"log": "",
"state": "passed"
},
"app_exception_handling": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/main:62142/app_exception_handling/log and /home/benchmark/working_dir/commits:20656/app_exception_handling/log differ\r\nOnly in /home/benchmark/working_dir/commits:20656/app_exception_handling: ROSETTA_CRASH.log\r\nOnly in /home/benchmark/working_dir/commits:20656/app_exception_handling: .test_did_not_run.log\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62142/app_exception_handling/log /home/benchmark/working_dir/commits:20656/app_exception_handling/log\r\n1a2,3\r\n> Unhandled exceptions in application SID_ERMS_prediction added by Mon Mar 10 13:27:19 EDT 2025\r\n> Unhandled exceptions in application SID_ERMS_Rescore added by Mon Mar 10 13:27:20 EDT 2025\r\nOnly in /home/benchmark/working_dir/commits:20656/app_exception_handling: ROSETTA_CRASH.log\r\nOnly in /home/benchmark/working_dir/commits:20656/app_exception_handling: .test_did_not_run.log\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"
},
"assemble_domains_jd2": {
"log": "",
"state": "passed"
},
"auto-drrafter_final_results": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R1": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R2": {
"log": "",
"state": "passed"
},
"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"
},
"bcl_fragment_mutate": {
"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"
},
"blob_finder": {
"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": {
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"state": "passed"
},
"c-term_conjugation": {
"log": "",
"state": "passed"
},
"calculate_sasa": {
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"state": "passed"
},
"carbohydrates": {
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"state": "passed"
},
"cart_min_glycans": {
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"state": "passed"
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"cartesianddg": {
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"state": "passed"
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"case_sensitive_filenames": {
"log": "",
"state": "passed"
},
"ccd_ends_graft_mover_rs": {
"log": "",
"state": "passed"
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"state": "passed"
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"log": "",
"state": "passed"
},
"centroid_from_fullatom": {
"log": "",
"state": "passed"
},
"cl_complex_rescore": {
"log": "",
"state": "passed"
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"classic_relax_1a19": {
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"state": "passed"
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"cleanAlignment": {
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"state": "passed"
},
"cluster": {
"log": "",
"state": "passed"
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"log": "",
"state": "passed"
},
"cluster_calibur": {
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"state": "passed"
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"cluster_filter": {
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"state": "passed"
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"cmaes_minimizer": {
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"state": "passed"
},
"coarse_rna_scoring": {
"log": "",
"state": "passed"
},
"code_template_tests_app": {
"log": "",
"state": "passed"
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"code_template_tests_citations": {
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"state": "passed"
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"code_template_tests_src": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/main:62142/code_template_tests_src/.test_did_not_run.log and /home/benchmark/working_dir/commits:20656/code_template_tests_src/.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/main:62142/code_template_tests_src/.test_did_not_run.log /home/benchmark/working_dir/commits:20656/code_template_tests_src/.test_did_not_run.log\r\n1c1\r\n< *** Test code_template_tests_src did not run! Check your --mode flag and paths. [2025-01-16 12:22:15.562132]\r\n---\r\n> *** Test code_template_tests_src did not run! Check your --mode flag and paths. [2025-03-10 13:39:12.750163]\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"
},
"code_template_tests_unit": {
"log": "",
"state": "passed"
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"coenzymes": {
"log": "",
"state": "passed"
},
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"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"
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"crankshaft_flip": {
"log": "",
"state": "passed"
},
"create_clash-based_repack_shell": {
"log": "",
"state": "passed"
},
"create_sequence_motif": {
"log": "",
"state": "passed"
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"state": "passed"
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"crosslinkermover_lanthionine": {
"log": "",
"state": "passed"
},
"crosslinkermover_methyllanthionine": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"state": "passed"
},
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"log": "",
"state": "passed"
},
"crosslinkermover_square_planar_d2_symm": {
"log": "",
"state": "passed"
},
"crosslinkermover_square_pyramidal": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"state": "passed"
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"log": "",
"state": "passed"
},
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"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
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"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": "",
"state": "passed"
},
"database_jd2_io": {
"log": "",
"state": "passed"
},
"database_md5": {
"log": "",
"state": "passed"
},
"database_session_resource": {
"log": "",
"state": "passed"
},
"ddG_ensemble": {
"log": "",
"state": "passed"
},
"ddG_of_mutation": {
"log": "",
"state": "passed"
},
"ddG_scan": {
"log": "",
"state": "passed"
},
"ddG_sym": {
"log": "",
"state": "passed"
},
"dehydro_aa_patch": {
"log": "",
"state": "passed"
},
"density_denovo": {
"log": "",
"state": "passed"
},
"density_refine": {
"log": "",
"state": "passed"
},
"density_refine_symm": {
"log": "",
"state": "passed"
},
"density_tools": {
"log": "",
"state": "passed"
},
"design_glycans": {
"log": "",
"state": "passed"
},
"design_w_custom_palette-CAAs": {
"log": "",
"state": "passed"
},
"design_w_custom_palette-NCAAs": {
"log": "",
"state": "passed"
},
"design_w_custom_palette-RNA": {
"log": "",
"state": "passed"
},
"dgdp_aio": {
"log": "",
"state": "passed"
},
"dgdp_script": {
"log": "",
"state": "passed"
},
"dihedral_constraint_generator": {
"log": "",
"state": "passed"
},
"distances": {
"log": "",
"state": "passed"
},
"disulfidize_beta_cys": {
"log": "",
"state": "passed"
},
"dna_interface_design": {
"log": "",
"state": "passed"
},
"dock_glycans": {
"log": "",
"state": "passed"
},
"dock_with_hotspot_place_simultaneously": {
"log": "",
"state": "passed"
},
"docking_distance_constraints": {
"log": "",
"state": "passed"
},
"docking_ensemble": {
"log": "",
"state": "passed"
},
"docking_ensemble_prepack": {
"log": "",
"state": "passed"
},
"docking_full_protocol": {
"log": "",
"state": "passed"
},
"docking_local_refine": {
"log": "",
"state": "passed"
},
"docking_local_refine_min": {
"log": "",
"state": "passed"
},
"docking_low_res": {
"log": "",
"state": "passed"
},
"docking_prepack": {
"log": "",
"state": "passed"
},
"docking_site_constraints": {
"log": "",
"state": "passed"
},
"doug_dock_design_min_mod2_cal_cal": {
"log": "",
"state": "passed"
},
"drrafter_error_estimation": {
"log": "",
"state": "passed"
},
"drrafter_run": {
"log": "",
"state": "passed"
},
"drrafter_setup": {
"log": "",
"state": "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": "",
"state": "passed"
},
"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": "",
"state": "passed"
},
"features_database_schema": {
"log": "",
"state": "passed"
},
"features_parallel": {
"log": "",
"state": "passed"
},
"features_pdb": {
"log": "",
"state": "passed"
},
"features_pdb_mpi": {
"log": "",
"state": "passed"
},
"features_postgres": {
"log": "",
"state": "passed"
},
"features_scientific_benchmark": {
"log": "",
"state": "passed"
},
"fiber_diffraction": {
"log": "",
"state": "passed"
},
"fiber_diffraction_fad": {
"log": "",
"state": "passed"
},
"fit_helixparams": {
"log": "",
"state": "passed"
},
"fit_helixparams_a3b": {
"log": "",
"state": "passed"
},
"fit_helixparams_rms": {
"log": "",
"state": "passed"
},
"fix_alignment_to_match_pdb": {
"log": "",
"state": "passed"
},
"fixbb": {
"log": "",
"state": "passed"
},
"flexpepdock": {
"log": "",
"state": "passed"
},
"flexpepdock_abinitio": {
"log": "",
"state": "passed"
},
"fold_and_dock": {
"log": "",
"state": "passed"
},
"fold_cst_new": {
"log": "",
"state": "passed"
},
"fold_from_loops": {
"log": "",
"state": "passed"
},
"fragment_picker": {
"log": "",
"state": "passed"
},
"fragmentpicker_integration_demo": {
"log": "",
"state": "passed"
},
"fuzzy": {
"log": "",
"state": "passed"
},
"ga_ligand_dock": {
"log": "",
"state": "passed"
},
"ga_ligand_dock_amino_acid": {
"log": "",
"state": "passed"
},
"ga_ligand_dock_macrocycle": {
"log": "",
"state": "passed"
},
"gen_apo_grids": {
"log": "",
"state": "passed"
},
"gen_lig_grids": {
"log": "",
"state": "passed"
},
"generate_6Dloopclose": {
"log": "",
"state": "passed"
},
"genkic_bin_perturbing": {
"log": "",
"state": "passed"
},
"genkic_bin_sampling": {
"log": "",
"state": "passed"
},
"genkic_bin_setting": {
"log": "",
"state": "passed"
},
"genkic_dihedral_copying": {
"log": "",
"state": "passed"
},
"genkic_lowmemory_mode": {
"log": "",
"state": "passed"
},
"genkic_rama_filter": {
"log": "",
"state": "passed"
},
"genkic_ramaprepro_sampling": {
"log": "",
"state": "passed"
},
"genkic_sugars": {
"log": "",
"state": "passed"
},
"geometric_solvation": {
"log": "",
"state": "passed"
},
"glycan_anomers": {
"log": "",
"state": "passed"
},
"glycan_clash_check": {
"log": "",
"state": "passed"
},
"glycan_refinment": {
"log": "",
"state": "passed"
},
"glycan_relax": {
"log": "",
"state": "passed"
},
"glycan_sequon_scanner": {
"log": "",
"state": "passed"
},
"glycan_tree_relax": {
"log": "",
"state": "passed"
},
"glycomutagenesis": {
"log": "",
"state": "passed"
},
"glycopeptidedocking": {
"log": "",
"state": "passed"
},
"glycopeptidedocking_diglyco_long": {
"log": "",
"state": "passed"
},
"glycosylation": {
"log": "",
"state": "passed"
},
"grid_scores_features": {
"log": "",
"state": "passed"
},
"hbnet": {
"log": "",
"state": "passed"
},
"hbnet_asymm": {
"log": "",
"state": "passed"
},
"hbnet_energy": {
"log": "",
"state": "passed"
},
"hbnet_energy_rosettascripts_linear": {
"log": "",
"state": "passed"
},
"hbnet_energy_symm": {
"log": "",
"state": "passed"
},
"hbnet_use_input_rot": {
"log": "",
"state": "passed"
},
"hbonds": {
"log": "",
"state": "passed"
},
"hbonds_sp2": {
"log": "",
"state": "passed"
},
"hbondstoresidue_selector": {
"log": "",
"state": "passed"
},
"hbs_design": {
"log": "",
"state": "passed"
},
"header_using_check": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/main:62142/header_using_check/all_usings.txt and /home/benchmark/working_dir/commits:20656/header_using_check/all_usings.txt differ\r\nFiles /home/benchmark/working_dir/main:62142/header_using_check/clean_usings.txt and /home/benchmark/working_dir/commits:20656/header_using_check/clean_usings.txt differ\r\nOnly in /home/benchmark/working_dir/commits:20656/header_using_check: .test_did_not_run.log\r\nFiles /home/benchmark/working_dir/main:62142/header_using_check/using_namespace.log and /home/benchmark/working_dir/commits:20656/header_using_check/using_namespace.log differ\r\nFiles /home/benchmark/working_dir/main:62142/header_using_check/usings.log and /home/benchmark/working_dir/commits:20656/header_using_check/usings.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62142/header_using_check/all_usings.txt /home/benchmark/working_dir/commits:20656/header_using_check/all_usings.txt\r\n194a195,198\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62142/header_using_check/clean_usings.txt /home/benchmark/working_dir/commits:20656/header_using_check/clean_usings.txt\r\n58a59,62\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\r\n> src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\r\nOnly in /home/benchmark/working_dir/commits:20656/header_using_check: .test_did_not_run.log\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62142/header_using_check/using_namespace.log /home/benchmark/working_dir/commits:20656/header_using_check/using_namespace.log\r\n0a1,4\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62142/header_using_check/usings.log /home/benchmark/working_dir/commits:20656/header_using_check/usings.log\r\n0a1,4\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options;\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\r\n> [Mon Mar 10 13:38:59 EDT 2025] src/protocols/sid_erms_prediction/sid_erms_simulate.hh:using namespace basic::options::OptionKeys;\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"
},
"helical_bundle": {
"log": "",
"state": "passed"
},
"helical_bundle_nonideal": {
"log": "",
"state": "passed"
},
"helical_bundle_predict": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_psipred": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_psipred_with_helix_globals": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_sequence": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_skipping_residues": {
"log": "",
"state": "passed"
},
"helix_from_sequence": {
"log": "",
"state": "passed"
},
"hierarchical_clustering": {
"log": "",
"state": "passed"
},
"homodimer_fnd_ref2015_memb": {
"log": "",
"state": "passed"
},
"hotspot_graft": {
"log": "",
"state": "passed"
},
"hotspot_hashing": {
"log": "",
"state": "passed"
},
"hotspot_stub_constraints": {
"log": "",
"state": "passed"
},
"hshash_utils": {
"log": "",
"state": "passed"
},
"hts_io": {
"log": "",
"state": "passed"
},
"hybridization": {
"log": "",
"state": "passed"
},
"hydrate": {
"log": "",
"state": "passed"
},
"hydrate_relax": {
"log": "",
"state": "passed"
},
"identify_cdr_clusters": {
"log": "",
"state": "passed"
},
"ig_dump": {
"log": "",
"state": "passed"
},
"include_cc_check": {
"log": "",
"state": "passed"
},
"interaction_graph_summary_metric": {
"log": "",
"state": "passed"
},
"interface_energy": {
"log": "",
"state": "passed"
},
"inv_kin_lig_loop_design": {
"log": "",
"state": "passed"
},
"iphold": {
"log": "",
"state": "passed"
},
"jd2test_PDBIO": {
"log": "",
"state": "passed"
},
"jd2test_PDBin_mmCIFout": {
"log": "",
"state": "passed"
},
"jd2test_PDBin_mmCIFout_extra_data_separate": {
"log": "",
"state": "passed"
},
"jd2test_mmCIFIO": {
"log": "",
"state": "passed"
},
"jd2test_mmCIFin_PDBout": {
"log": "",
"state": "passed"
},
"job_definition_script_vars": {
"log": "",
"state": "passed"
},
"jrelax": {
"log": "",
"state": "passed"
},
"jscore": {
"log": "",
"state": "passed"
},
"kinemage_grid_output": {
"log": "",
"state": "passed"
},
"kinematic_looprelax": {
"log": "",
"state": "passed"
},
"ld_converter": {
"log": "",
"state": "passed"
},
"ligand_database_io": {
"log": "",
"state": "passed"
},
"ligand_dock_7cpa": {
"log": "",
"state": "passed"
},
"ligand_dock_cholesterol": {
"log": "",
"state": "passed"
},
"ligand_dock_ensemble": {
"log": "",
"state": "passed"
},
"ligand_dock_grid": {
"log": "",
"state": "passed"
},
"ligand_dock_script": {
"log": "",
"state": "passed"
},
"ligand_motif_design": {
"log": "",
"state": "passed"
},
"ligand_motif_discovery": {
"log": "",
"state": "passed"
},
"ligand_motif_identification": {
"log": "",
"state": "passed"
},
"ligand_water_docking": {
"log": "",
"state": "passed"
},
"longest_continuous_polar_segment_filter": {
"log": "",
"state": "passed"
},
"loop_creation": {
"log": "",
"state": "passed"
},
"loop_grower_N_term_symm": {
"log": "",
"state": "passed"
},
"loop_hash": {
"log": "",
"state": "passed"
},
"loop_modeling": {
"log": "",
"state": "passed"
},
"make_and_perturb_bundle_multirepeat": {
"log": "",
"state": "passed"
},
"make_exemplar": {
"log": "",
"state": "passed"
},
"make_mainchain_potential": {
"log": "",
"state": "passed"
},
"make_mainchain_potential_symm": {
"log": "",
"state": "passed"
},
"make_mainchain_potential_symm_preproline": {
"log": "",
"state": "passed"
},
"make_rot_lib": {
"log": "",
"state": "passed"
},
"make_symmdef_file": {
"log": "",
"state": "passed"
},
"match_1c2t": {
"log": "",
"state": "passed"
},
"match_1n9l": {
"log": "",
"state": "passed"
},
"match_6cpa": {
"log": "",
"state": "passed"
},
"match_xml": {
"log": "",
"state": "passed"
},
"measure_lcaa_radii": {
"log": "",
"state": "passed"
},
"membrane_abinitio": {
"log": "",
"state": "passed"
},
"metal_setup": {
"log": "",
"state": "passed"
},
"metalloprotein_abrelax": {
"log": "",
"state": "passed"
},
"metalloprotein_broker": {
"log": "",
"state": "passed"
},
"metropolis_hastings": {
"log": "",
"state": "passed"
},
"mf_fixbb_des": {
"log": "",
"state": "passed"
},
"mf_fixbb_sc": {
"log": "",
"state": "passed"
},
"mf_flexbb_sc": {
"log": "",
"state": "passed"
},
"mg_modeler": {
"log": "",
"state": "passed"
},
"mg_modeler_lores": {
"log": "",
"state": "passed"
},
"mhc_epitope": {
"log": "",
"state": "passed"
},
"mhc_epitope_nmer_preload": {
"log": "",
"state": "passed"
},
"min_pack_min": {
"log": "",
"state": "passed"
},
"minimize_6Dloopclose": {
"log": "",
"state": "passed"
},
"minimize_with_elec_dens": {
"log": "",
"state": "passed"
},
"mirror_symm": {
"log": "",
"state": "passed"
},
"mixed_monte_carlo": {
"log": "",
"state": "passed"
},
"mm_params": {
"log": "",
"state": "passed"
},
"mmtfIO_score_test": {
"log": "",
"state": "passed"
},
"molfile_to_params": {
"log": "",
"state": "passed"
},
"molfile_to_params_polymer": {
"log": "",
"state": "passed"
},
"motif_dna_packer_design": {
"log": "",
"state": "passed"
},
"motif_extraction": {
"log": "",
"state": "passed"
},
"motif_score_filter": {
"log": "",
"state": "passed"
},
"mp_dock": {
"log": "",
"state": "passed"
},
"mp_dock_ensemble": {
"log": "",
"state": "passed"
},
"mp_dock_prepack": {
"log": "",
"state": "passed"
},
"mp_dock_setup": {
"log": "",
"state": "passed"
},
"mp_domain_assembly": {
"log": "",
"state": "passed"
},
"mp_domain_assembly_FtsQ": {
"log": "",
"state": "passed"
},
"mp_f19_relax": {
"log": "",
"state": "passed"
},
"mp_find_interface": {
"log": "",
"state": "passed"
},
"mp_interface_statistics": {
"log": "",
"state": "passed"
},
"mp_ligand_interface": {
"log": "",
"state": "passed"
},
"mp_loadtime": {
"log": "",
"state": "passed"
},
"mp_mutate_relax": {
"log": "",
"state": "passed"
},
"mp_mutate_repack": {
"log": "",
"state": "passed"
},
"mp_quick_relax": {
"log": "",
"state": "passed"
},
"mp_quick_relax_ref2015_memb": {
"log": "",
"state": "passed"
},
"mp_range_relax": {
"log": "",
"state": "passed"
},
"mp_relax": {
"log": "",
"state": "passed"
},
"mp_score_jd2": {
"log": "",
"state": "passed"
},
"mp_span_ang_ref2015_memb": {
"log": "",
"state": "passed"
},
"mp_span_from_pdb": {
"log": "",
"state": "passed"
},
"mp_symdock": {
"log": "",
"state": "passed"
},
"mp_symmetry_load": {
"log": "",
"state": "passed"
},
"mp_transform": {
"log": "",
"state": "passed"
},
"mp_transform_optimize": {
"log": "",
"state": "passed"
},
"mp_vis_emb": {
"log": "",
"state": "passed"
},
"mpi_multistate_design": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_4level": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_computing_pnear_to_all": {
"log": "",
"state": "passed"
},
"mpil_find_pore_ahelical": {
"log": "",
"state": "passed"
},
"mpil_find_pore_bbarrel": {
"log": "",
"state": "passed"
},
"mpil_load_implicit_lipids": {
"log": "",
"state": "passed"
},
"mr_protocols": {
"log": "",
"state": "passed"
},
"multistage_rosetta_scripts": {
"log": "",
"state": "passed"
},
"multistage_rosetta_scripts_clustering": {
"log": "",
"state": "passed"
},
"multithreaded_fastdesign": {
"log": "",
"state": "passed"
},
"multithreaded_fixbb": {
"log": "",
"state": "passed"
},
"multithreaded_interaction_graph_accuracy": {
"log": "",
"state": "passed"
},
"multithreaded_interaction_graph_accuracy_symm": {
"log": "",
"state": "passed"
},
"multithreaded_packrotamersmover": {
"log": "",
"state": "passed"
},
"mutate": {
"log": "",
"state": "passed"
},
"ncaa_fixbb": {
"log": "",
"state": "passed"
},
"ncbb_packer_palette": {
"log": "",
"state": "passed"
},
"netcharge_design": {
"log": "",
"state": "passed"
},
"netcharge_design_symm": {
"log": "",
"state": "passed"
},
"next_generation_KIC": {
"log": "",
"state": "passed"
},
"noe_assignment": {
"log": "",
"state": "passed"
},
"non-canonical_connectivities": {
"log": "",
"state": "passed"
},
"nonideal_rtmin": {
"log": "",
"state": "passed"
},
"nucleobase_sample_around": {
"log": "",
"state": "passed"
},
"number_of_residuetypes": {
"log": "",
"state": "passed"
},
"oligourea_design": {
"log": "",
"state": "passed"
},
"oligourea_predict": {
"log": "",
"state": "passed"
},
"oop_create": {
"log": "",
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},
"oop_design": {
"log": "",
"state": "passed"
},
"oop_dock_design": {
"log": "",
"state": "passed"
},
"orbitals": {
"log": "",
"state": "passed"
},
"output_schema": {
"log": "",
"state": "passed"
},
"pH_mode": {
"log": "",
"state": "passed"
},
"pepspec_anchor_dock": {
"log": "",
"state": "passed"
},
"peptiderive": {
"log": "",
"state": "passed"
},
"per_residue_energies": {
"log": "",
"state": "passed"
},
"per_residue_sc_sasa": {
"log": "",
"state": "passed"
},
"per_residue_solvent_exposure": {
"log": "",
"state": "passed"
},
"pertmin": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_copying_pitch": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_epsilon": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_setting": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_z_offset": {
"log": "",
"state": "passed"
},
"phiselector": {
"log": "",
"state": "passed"
},
"phosphonate": {
"log": "",
"state": "passed"
},
"phosphorylation": {
"log": "",
"state": "passed"
},
"place_simultaneously": {
"log": "",
"state": "passed"
},
"pmut_scan": {
"log": "",
"state": "passed"
},
"pna": {
"log": "",
"state": "passed"
},
"pna_base_pairs": {
"log": "",
"state": "passed"
},
"pocket_measure": {
"log": "",
"state": "passed"
},
"pocket_relax": {
"log": "",
"state": "passed"
},
"pocket_suggest_targets": {
"log": "",
"state": "passed"
},
"polyaramid_test_trivial": {
"log": "",
"state": "passed"
},
"pose_sewing": {
"log": "",
"state": "passed"
},
"posttranslationalmod_io": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteA": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteB": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteC": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteD": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteE": {
"log": "",
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},
"ppi_v3_suiteF": {
"log": "",
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},
"ppi_v3_suiteG": {
"log": "",
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},
"ppk": {
"log": "",
"state": "passed"
},
"proteinMPNN_model_perplexity": {
"log": "",
"state": "passed"
},
"protocol_metric": {
"log": "",
"state": "passed"
},
"pwsho": {
"log": "",
"state": "passed"
},
"pymol_cif": {
"log": "",
"state": "passed"
},
"r_pdb2top": {
"log": "",
"state": "passed"
},
"r_rmsf": {
"log": "",
"state": "passed"
},
"ralford_dump_rotamers": {
"log": "",
"state": "passed"
},
"rama_mutation_selector": {
"log": "",
"state": "passed"
},
"range_relax_w_cst": {
"log": "",
"state": "passed"
},
"rb_recces": {
"log": "",
"state": "passed"
},
"rdkit_metrics": {
"log": "",
"state": "passed"
},
"read_polymeric_components": {
"log": "",
"state": "passed"
},
"readin_dna_rna_protein": {
"log": "",
"state": "passed"
},
"real_virt_mover": {
"log": "",
"state": "passed"
},
"recces_turner": {
"log": "",
"state": "passed"
},
"recon_design": {
"log": "",
"state": "passed"
},
"recon_design_mpi": {
"log": "",
"state": "passed"
},
"referencepose_mutateresidue": {
"log": "",
"state": "passed"
},
"relax_w_allatom_cst": {
"log": "",
"state": "passed"
},
"remodel_disulfides_rosettascripts": {
"log": "",
"state": "passed"
},
"remodel_helical_repeat": {
"log": "",
"state": "passed"
},
"repack_with_elec_dens": {
"log": "",
"state": "passed"
},
"repeat_propagate": {
"log": "",
"state": "passed"
},
"repeat_propagate_v2": {
"log": "",
"state": "passed"
},
"repeat_propagate_v3": {
"log": "",
"state": "passed"
},
"repeat_relax": {
"log": "",
"state": "passed"
},
"replica_docking": {
"log": "",
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},
"report_hbonds_for_plugin": {
"log": "",
"state": "passed"
},
"res_lipo_ref2015_memb": {
"log": "",
"state": "passed"
},
"residue_energy_breakdown": {
"log": "",
"state": "passed"
},
"resource_database_locator": {
"log": "",
"state": "passed"
},
"restype_converter": {
"log": "",
"state": "passed"
},
"rings": {
"log": "",
"state": "passed"
},
"rna_add_WC_stats": {
"log": "",
"state": "passed"
},
"rna_assemble": {
"log": "",
"state": "passed"
},
"rna_cluster": {
"log": "",
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},
"rna_denovo": {
"log": "",
"state": "passed"
},
"rna_denovo_RNP_low_res": {
"log": "",
"state": "passed"
},
"rna_denovo_RNP_refine_native": {
"log": "",
"state": "passed"
},
"rna_denovo_base_pair_constraints": {
"log": "",
"state": "passed"
},
"rna_denovo_base_pair_setup": {
"log": "",
"state": "passed"
},
"rna_denovo_bps": {
"log": "",
"state": "passed"
},
"rna_denovo_bps_fixed_ends": {
"log": "",
"state": "passed"
},
"rna_denovo_bps_helix_ends": {
"log": "",
"state": "passed"
},
"rna_denovo_dna_bridge": {
"log": "",
"state": "passed"
},
"rna_denovo_fragment_homology_exclusion": {
"log": "",
"state": "passed"
},
"rna_denovo_grid_vdw": {
"log": "",
"state": "passed"
},
"rna_denovo_lariat": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_2in_dens": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_5P_j12_leadzyme": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_RNP_2prot_dens": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_rna_two_chains": {
"log": "",
"state": "passed"
},
"rna_denovo_new_libs": {
"log": "",
"state": "passed"
},
"rna_denovo_symm_hack": {
"log": "",
"state": "passed"
},
"rna_design": {
"log": "",
"state": "passed"
},
"rna_farfar_block_stack": {
"log": "",
"state": "passed"
},
"rna_farfar_noncanonical_hairpin": {
"log": "",
"state": "passed"
},
"rna_farfar_syn_chi_res": {
"log": "",
"state": "passed"
},
"rna_helix": {
"log": "",
"state": "passed"
},
"rna_minimize": {
"log": "",
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},
"rna_minimize_6D_loop_close": {
"log": "",
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},
"rna_motif": {
"log": "",
"state": "passed"
},
"rna_predict_chem_map": {
"log": "",
"state": "passed"
},
"rna_puzzle11_H2H3H4_run3_connectU40": {
"log": "",
"state": "passed"
},
"rna_puzzle12_P5P6P7_DMS": {
"log": "",
"state": "passed"
},
"rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation": {
"log": "",
"state": "passed"
},
"rna_puzzle5_p2_GAAA_mini": {
"log": "",
"state": "passed"
},
"rna_puzzle6_U75G76A77_on_thread1": {
"log": "",
"state": "passed"
},
"rna_puzzle6_j67_into_p6p7rigidbody_thread1": {
"log": "",
"state": "passed"
},
"rna_ribosome_tether": {
"log": "",
"state": "passed"
},
"rna_score": {
"log": "",
"state": "passed"
},
"rna_screen_phosphates": {
"log": "",
"state": "passed"
},
"rna_suitename": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_mut": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_setup": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_wt": {
"log": "",
"state": "passed"
},
"rnp_ddg_finalize": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_command_1": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_command_2": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_finalize": {
"log": "",
"state": "passed"
},
"rnp_ddg_relax_setup": {
"log": "",
"state": "passed"
},
"rollmover": {
"log": "",
"state": "passed"
},
"rosetta_scripts_hbond_options": {
"log": "",
"state": "passed"
},
"rosetta_scripts_include": {
"log": "",
"state": "passed"
},
"rosetta_scripts_info": {
"log": "",
"state": "passed"
},
"rosetta_scripts_jd3": {
"log": "",
"state": "passed"
},
"rosetta_scripts_loops": {
"log": "",
"state": "passed"
},
"rosetta_scripts_setup": {
"log": "",
"state": "passed"
},
"rosie_ligand_docking": {
"log": "",
"state": "passed"
},
"rotamer_probability": {
"log": "",
"state": "passed"
},
"rotamer_recovery": {
"log": "",
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},
"rotamer_recovery_compare_two_structures": {
"log": "",
"state": "passed"
},
"rs_flexbbmoves": {
"log": "",
"state": "passed"
},
"rs_loophash": {
"log": "",
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},
"sample_seq_from_probs": {
"log": "",
"state": "passed"
},
"sasa_metric_options": {
"log": "",
"state": "passed"
},
"score12_docking": {
"log": "",
"state": "passed"
},
"score_aln": {
"log": "",
"state": "passed"
},
"score_jd2": {
"log": "",
"state": "passed"
},
"score_only_silence": {
"log": "",
"state": "passed"
},
"sdf_reader": {
"log": "",
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},
"secondary_structure_output": {
"log": "",
"state": "passed"
},
"seed_ensemble_JD2_JI": {
"log": "",
"state": "passed"
},
"select_best_unique_ligand_poses": {
"log": "",
"state": "passed"
},
"selected_residue_count_metric": {
"log": "",
"state": "passed"
},
"sequence_profile_constraints": {
"log": "",
"state": "passed"
},
"sequence_recovery": {
"log": "",
"state": "passed"
},
"sequence_tolerance": {
"log": "",
"state": "passed"
},
"set_torsion": {
"log": "",
"state": "passed"
},
"shobuns": {
"log": "",
"state": "passed"
},
"silent2frag": {
"log": "",
"state": "passed"
},
"sim_cryo": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_1_4_bbmb": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_angle": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_anglelength": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_beta_thioether_lariat": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_bondangle_bondlength": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_cartesian": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_cispro": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_cterm_isopeptide_lariat": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_cterm_isopeptide_lariat_tailless": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_design": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_lanthionine": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_nmethyl": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_nterm_isopeptide_lariat": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_nterm_isopeptide_lariat_tailless": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_octahedral_metal": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_peptoid": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_setting": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_sidechain_isopeptide": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_sidechain_isopeptide_reverse": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_square_planar_metal": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_square_pyramidal_metal": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_symm_gly": {
"log": "",
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},
"simple_cycpep_predict_symmetric_sampling": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_tbmb": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_terminal_disulfide": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_terminal_disulfide_internal_permutations": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_terminal_disulfide_tails": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_terminal_disulfide_tails_2": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_tetrahedral_metal": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_tetrahedral_metal_asp": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_thioether_cis_sampling": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_thioether_lariat": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_tma": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_trigonal_planar_metal": {
"log": "",
"state": "passed"
},
"simple_cycpep_predict_trigonal_pyramidal_metal": {
"log": "",
"state": "passed"
},
"simple_dna_test": {
"log": "",
"state": "passed"
},
"simple_glycosylation": {
"log": "",
"state": "passed"
},
"simple_glycosylation_alternate_AAs": {
"log": "",
"state": "passed"
},
"simple_grafting_movers": {
"log": "",
"state": "passed"
},
"simple_hbondstoatom": {
"log": "",
"state": "passed"
},
"simple_metric_cache": {
"log": "",
"state": "passed"
},
"simple_metric_features": {
"log": "",
"state": "passed"
},
"simple_metric_filter": {
"log": "",
"state": "passed"
},
"simple_metrics": {
"log": "",
"state": "passed"
},
"simple_metrics_b_factor": {
"log": "",
"state": "passed"
},
"simple_metrics_in_protocols": {
"log": "",
"state": "passed"
},
"simple_metrics_per_residue": {
"log": "",
"state": "passed"
},
"site_constraint": {
"log": "",
"state": "passed"
},
"small_molecule_lattice_dock": {
"log": "",
"state": "passed"
},
"smallmover_resselector": {
"log": "",
"state": "passed"
},
"smart_annealer": {
"log": "",
"state": "passed"
},
"splice_in_4loops_longer": {
"log": "",
"state": "passed"
},
"splice_in_4loops_shorter": {
"log": "",
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},
"splice_out_H1_H2_longer": {
"log": "",
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},
"splice_out_H1_H2_same": {
"log": "",
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},
"splice_out_H1_H2_shorter": {
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},
"splice_out_H3_longer": {
"log": "",
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},
"splice_out_H3_same": {
"log": "",
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},
"splice_out_H3_shorter": {
"log": "",
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},
"splice_out_L1_L2_longer": {
"log": "",
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},
"splice_out_L1_L2_same": {
"log": "",
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},
"splice_out_L1_L2_shorter": {
"log": "",
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},
"splice_out_L3_longer": {
"log": "",
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},
"splice_out_L3_same": {
"log": "",
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},
"splice_out_L3_shorter": {
"log": "",
"state": "passed"
},
"startfrom_file": {
"log": "",
"state": "passed"
},
"stepwise_lores": {
"log": "",
"state": "passed"
},
"stored_residue_subset": {
"log": "",
"state": "passed"
},
"struc_set_fragment_picker": {
"log": "",
"state": "passed"
},
"super_aln": {
"log": "",
"state": "passed"
},
"supercharge": {
"log": "",
"state": "passed"
},
"surface_docking": {
"log": "",
"state": "passed"
},
"swa_protein_CCDclose": {
"log": "",
"state": "passed"
},
"swa_protein_build_at_Cterminus": {
"log": "",
"state": "passed"
},
"swa_protein_build_at_Nterminus": {
"log": "",
"state": "passed"
},
"swa_protein_cluster": {
"log": "",
"state": "passed"
},
"swa_protein_combine_loops": {
"log": "",
"state": "passed"
},
"swa_protein_loop_sampler": {
"log": "",
"state": "passed"
},
"swa_protein_prepack": {
"log": "",
"state": "passed"
},
"swa_rna_erraser": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_01_append": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_02_prepend": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_03_append_to_silent": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_04_clustering": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_05_prepend_to_5primeterminus": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_06_append_to_3primeterminus": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_07_prepend_dinucleotide": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_08_append_dinucleotide": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_09_sample_virtual_ribose": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_10_prepend_and_ccd_close": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_11_append_and_ccd_close": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_12_helix_addition": {
"log": "",
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},
"swa_rna_gagu_13_chunk_combination_and_closure": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_14_combine_long_loop_filtering": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_15_combine_long_loop_sampling": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_16_prepend_dinucleotide_on_dinucleotide": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_17_append_floating_base": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_18_rebuild_bulge": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_19_prepend_floating_base_by_jump": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_20_append_floating_base_by_jump": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_21_prepend_dinucleotide_on_dinucleotide_by_jump": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_22_prepend_and_kic_close": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_23_append_and_kic_close": {
"log": "",
"state": "passed"
},
"swa_rna_loop_clusterer": {
"log": "",
"state": "passed"
},
"swa_rna_loop_sampler": {
"log": "",
"state": "passed"
},
"sweep_respair_energies": {
"log": "",
"state": "passed"
},
"swm_add_rosettascripts": {
"log": "",
"state": "passed"
},
"swm_beta_peptide_loop": {
"log": "",
"state": "passed"
},
"swm_build_full_model": {
"log": "",
"state": "passed"
},
"swm_dna_bridge": {
"log": "",
"state": "passed"
},
"swm_dna_loop": {
"log": "",
"state": "passed"
},
"swm_general_polymer_sampler": {
"log": "",
"state": "passed"
},
"swm_l_rna": {
"log": "",
"state": "passed"
},
"swm_protein_CCDmove": {
"log": "",
"state": "passed"
},
"swm_protein_from_scratch": {
"log": "",
"state": "passed"
},
"swm_protein_loop_sampler": {
"log": "",
"state": "passed"
},
"swm_protein_move_inside_coiledcoil_by_bond": {
"log": "",
"state": "passed"
},
"swm_protein_move_inside_helix_by_bond": {
"log": "",
"state": "passed"
},
"swm_protein_preminimize": {
"log": "",
"state": "passed"
},
"swm_rna_base_pair_constraints": {
"log": "",
"state": "passed"
},
"swm_rna_checkpoint_partition": {
"log": "",
"state": "passed"
},
"swm_rna_fourwayjunction": {
"log": "",
"state": "passed"
},
"swm_rna_loop_design": {
"log": "",
"state": "passed"
},
"swm_rna_move_align_dock": {
"log": "",
"state": "passed"
},
"swm_rna_move_inside_helix_by_bond": {
"log": "",
"state": "passed"
},
"swm_rna_move_inside_helix_by_jump": {
"log": "",
"state": "passed"
},
"swm_rna_move_two_strands": {
"log": "",
"state": "passed"
},
"swm_rna_nickedhelix": {
"log": "",
"state": "passed"
},
"swm_rna_protonated_adenosine": {
"log": "",
"state": "passed"
},
"swm_rna_singleloop": {
"log": "",
"state": "passed"
},
"swm_rna_srl_triplet": {
"log": "",
"state": "passed"
},
"symm_disulfidize": {
"log": "",
"state": "passed"
},
"symm_rotamer_boltzmann": {
"log": "",
"state": "passed"
},
"symmetric_cycpep_align_and_symmetrize": {
"log": "",
"state": "passed"
},
"symmetric_docking": {
"log": "",
"state": "passed"
},
"symmetrical_residue_selector": {
"log": "",
"state": "passed"
},
"symmetry_data_resource": {
"log": "",
"state": "passed"
},
"symmetry_multicomponent": {
"log": "",
"state": "passed"
},
"target_clash": {
"log": "",
"state": "passed"
},
"task_selector": {
"log": "",
"state": "passed"
},
"tcrmodel": {
"log": "",
"state": "passed"
},
"template_features": {
"log": "",
"state": "passed"
},
"tensorflow_connection_test": {
"log": "",
"state": "passed"
},
"tensorflow_manager": {
"log": "",
"state": "passed"
},
"tensorflow_simple_model_load_and_evaluate": {
"log": "",
"state": "passed"
},
"test1_benchmark": {
"log": "",
"state": "passed"
},
"test_computed_saxs_spectrum": {
"log": "",
"state": "passed"
},
"test_d_l_readin": {
"log": "",
"state": "passed"
},
"test_degreaser": {
"log": "",
"state": "passed"
},
"test_energy_method_options": {
"log": "",
"state": "passed"
},
"test_idealize": {
"log": "",
"state": "passed"
},
"test_rosetta_thread_manager_advanced_API": {
"log": "",
"state": "passed"
},
"test_rosetta_thread_manager_basic_API": {
"log": "",
"state": "passed"
},
"thermal_sampler": {
"log": "",
"state": "passed"
},
"thread_local_tracers_check": {
"log": "",
"state": "passed"
},
"threefold_symm_peptide_design": {
"log": "",
"state": "passed"
},
"threefoldlinkermover_tbmb": {
"log": "",
"state": "passed"
},
"threefoldlinkermover_tbmb_symmetric": {
"log": "",
"state": "passed"
},
"tna_base_pairs": {
"log": "",
"state": "passed"
},
"torsion_restricted_sampling": {
"log": "",
"state": "passed"
},
"trRosetta": {
"log": "",
"state": "passed"
},
"trRosettaConstraintGenerator": {
"log": "",
"state": "passed"
},
"trRosettaConstraintGenerator_rosettascripts": {
"log": "",
"state": "passed"
},
"trRosettaProtocolMover": {
"log": "",
"state": "passed"
},
"trRosettaProtocolMover_rosettascripts": {
"log": "",
"state": "passed"
},
"trRosettaProtocolMover_rosettascripts_diskwrite": {
"log": "",
"state": "passed"
},
"trRosettaProtocolMover_rosettascripts_diskwrite_only": {
"log": "",
"state": "passed"
},
"trRosetta_test_predict": {
"log": "",
"state": "passed"
},
"trRosetta_test_predict_ubiquitin": {
"log": "",
"state": "passed"
},
"trRosetta_test_predict_ubiquitin_cst_file_write": {
"log": "",
"state": "passed"
},
"trRosetta_test_predict_ubiquitin_cst_file_write_only": {
"log": "",
"state": "passed"
},
"trRosetta_test_predict_ubiquitin_init_by_bins": {
"log": "",
"state": "passed"
},
"unfolded_state_energy_calc": {
"log": "",
"state": "passed"
},
"validate_database": {
"log": "",
"state": "passed"
},
"vancomycin": {
"log": "",
"state": "passed"
},
"vip": {
"log": "",
"state": "passed"
},
"voids_penalty_energy_design": {
"log": "",
"state": "passed"
},
"voids_penalty_energy_design_symmetry": {
"log": "",
"state": "passed"
},
"write_mol_file": {
"log": "",
"state": "passed"
},
"zinc_heterodimer": {
"log": "",
"state": "passed"
},
"zinc_homodimer_design": {
"log": "",
"state": "passed"
},
"zinc_homodimer_setup": {
"log": "",
"state": "passed"
}
}
}