Program frozen at “protocols.jobdist.JobDistributors: (0) Master Node — Waiting for job request; tag_ = 1”

Member Site Forums Rosetta 3 Rosetta 3 – General Program frozen at “protocols.jobdist.JobDistributors: (0) Master Node — Waiting for job request; tag_ = 1”

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    • #3395
      Anonymous

        Hello,

              The Rosetta program was frozen at “protocols.jobdist.JobDistributors: (0) Master Node — Waiting for job request; tag_ = 1” when I was trying to predict structure of a sequence. Dose anybody know how to solve this problem?

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        IU-Quota version 1.2 loaded.

        xy32@elogin1:~> :~> module unload PrgEnv-intel

        :~: command not found

        xy32@elogin1:~> module unload PrgEnv-intel

        xy32@elogin1:~> module load PrgEnv-gnu

        xy32@elogin1:~> module load openmpi/gnu/4.0.2

        openmpi version 4.0.2 loaded.

        xy32@elogin1:~> module load rosetta

        rosetta version 2019.35 loaded.

        xy32@elogin1:~> ls

        1ELW.fasta  aat000_03_05.200_v1_3  flags   t000_.psipred_ss2

        1elw.pdb    aat000_09_05.200_v1_3  

        xy32@elogin1:~> /N/soft/cle6/rosetta/gnu/rosetta_src_2019.35.60890_bundle/main/source/bin/AbinitioRelax.mpi.linuxgccrelease @flags

        core.init: (0) Checking for fconfig files in pwd and ./rosetta/flags 

        core.init: (0) Rosetta version: rosetta.source.release-231 r231 2019.35+release.767c1ea 767c1ea25c572fbc078db45ad65dddb507240ad3 https://www.rosettacommons.org 2019-08-30T10:52:08.483471

        core.init: (0) command: /N/soft/cle6/rosetta/gnu/rosetta_src_2019.35.60890_bundle/main/source/bin/AbinitioRelax.mpi.linuxgccrelease @flags

        basic.random.init_random_generator: (0) ‘RNG device’ seed mode, using ‘/dev/urandom’, seed=-53430990 seed_offset=0 real_seed=-53430990

        basic.random.init_random_generator: (0) RandomGenerator:init: Normal mode, seed=-53430990 RG_type=mt19937

        core.chemical.GlobalResidueTypeSet: (0) Finished initializing fa_standard residue type set.  Created 980 residue types

        core.chemical.GlobalResidueTypeSet: (0) Total time to initialize 1.03723 seconds.

        core.import_pose.import_pose: (0) File ‘./1elw.pdb’ automatically determined to be of type PDB

        core.chemical.GlobalResidueTypeSet: (0) Loading (but possibly not actually using) ‘NI’ from the PDB components dictionary for residue type ‘pdb_NI’

        core.chemical.GlobalResidueTypeSet: (0) Loading (but possibly not actually using) ‘TRS’ from the PDB components dictionary for residue type ‘pdb_TRS’

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CD  on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE1 on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE2 on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue MET:NtermProteinFull 122

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  SD  on residue MET:NtermProteinFull 122

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CE  on residue MET:NtermProteinFull 122

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CD  on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE1 on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE2 on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CD  on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE1 on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE2 on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OXT on residue MET:CtermProteinFull 236

        core.pack.pack_missing_sidechains: (0) packing residue number 1 because of missing atom number 6 atom name  CG 

        core.pack.pack_missing_sidechains: (0) packing residue number 122 because of missing atom number 6 atom name  CG 

        core.pack.pack_missing_sidechains: (0) packing residue number 123 because of missing atom number 6 atom name  CG 

        core.pack.pack_missing_sidechains: (0) packing residue number 231 because of missing atom number 6 atom name  CG 

        core.pack.task: (0) Packer task: initialize from command line() 

        core.scoring.ScoreFunctionFactory: (0) SCOREFUNCTION: ref2015

        core.scoring.etable: (0) Starting energy table calculation

        core.scoring.etable: (0) smooth_etable: changing atr/rep split to bottom of energy well

        core.scoring.etable: (0) smooth_etable: spline smoothing lj etables (maxdis = 6)

        core.scoring.etable: (0) smooth_etable: spline smoothing solvation etables (max_dis = 6)

        core.scoring.etable: (0) Finished calculating energy tables.

        basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv

        basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv

        basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv

        basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv

        basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv

        basic.io.database: (0) Database file opened: scoring/score_functions/rama/fd/all.ramaProb

        basic.io.database: (0) Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb

        basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA

        basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n

        core.scoring.P_AA: (0) shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.

        basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop

        basic.io.database: (0) Database file opened: scoring/score_functions/elec_cp_reps.dat

        core.scoring.elec.util: (0) Read 40 countpair representative atoms

        core.pack.dunbrack.RotamerLibrary: (0) shapovalov_lib_fixes_enable option is true.

        core.pack.dunbrack.RotamerLibrary: (0) shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated.

        core.pack.dunbrack.RotamerLibrary: (0) Binary rotamer library selected: /N/soft/cle6/rosetta/gnu/rosetta_src_2019.35.60890_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin

        core.pack.dunbrack.RotamerLibrary: (0) Using Dunbrack library binary file ‘/N/soft/cle6/rosetta/gnu/rosetta_src_2019.35.60890_bundle/main/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin’.

        core.pack.dunbrack.RotamerLibrary: (0) Dunbrack 2010 library took 0.154166 seconds to load from binary

        core.pack.pack_rotamers: (0) built 63 rotamers at 4 positions.

        core.pack.interaction_graph.interaction_graph_factory: (0) Instantiating DensePDInteractionGraph

        core.chemical.GlobalResidueTypeSet: (0) Finished initializing centroid residue type set.  Created 62 residue types

        core.chemical.GlobalResidueTypeSet: (0) Total time to initialize 0.029976 seconds.

        core.chemical.residue_support: (0) [ WARNING ] Atom type ‘Ni’ on atom ‘NI’ from residue type ‘NI’ does not have a centroid mode equivalent: assuming CAbb.

        core.chemical.GlobalResidueTypeSet: (0) Loading (but possibly not actually using) ‘NI’ from the PDB components dictionary for residue type ‘pdb_NI’

        core.chemical.GlobalResidueTypeSet: (0) Loading (but possibly not actually using) ‘TRS’ from the PDB components dictionary for residue type ‘pdb_TRS’

        protocols.abinitio.AbrelaxApplication: (0) read fasta sequence: 120 residues

        GCKTVDLKPDWGKGYSRKAAALEFLNRFEEAKRTYEEGLKHEANNPQLKEGLQNMEARD

        core.import_pose.import_pose: (0) File ‘./1elw.pdb’ automatically determined to be of type PDB

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CD  on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE1 on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE2 on residue GLU:NtermProteinFull 1

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue MET:NtermProteinFull 122

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  SD  on residue MET:NtermProteinFull 122

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CE  on residue MET:NtermProteinFull 122

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CD  on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE1 on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE2 on residue GLU 123

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CG  on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  CD  on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE1 on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OE2 on residue GLU 231

        core.conformation.Conformation: (0) [ WARNING ] missing heavyatom:  OXT on residue MET:CtermProteinFull 236

        core.pack.pack_missing_sidechains: (0) packing residue number 1 because of missing atom number 6 atom name  CG 

        core.pack.pack_missing_sidechains: (0) packing residue number 122 because of missing atom number 6 atom name  CG 

        core.pack.pack_missing_sidechains: (0) packing residue number 123 because of missing atom number 6 atom name  CG 

        core.pack.pack_missing_sidechains: (0) packing residue number 231 because of missing atom number 6 atom name  CG 

        core.pack.task: (0) Packer task: initialize from command line() 

        core.scoring.ScoreFunctionFactory: (0) SCOREFUNCTION: ref2015

        core.pack.pack_rotamers: (0) built 63 rotamers at 4 positions.

        core.pack.interaction_graph.interaction_graph_factory: (0) Instantiating DensePDInteractionGraph

        protocols.evaluation.ChiWellRmsdEvaluatorCreator: (0) Evaluation Creator active … 

        core.io.fragments: (0) reading fragments from file: ./aat000_09_05.200_v1_3 … 

        core.io.fragments: (0) rosetta++ fileformat detected! Calling legacy reader… 

        core.fragments.ConstantLengthFragSet: (0) finished reading top 25 9mer fragments from file ./aat000_09_05.200_v1_3

        core.io.fragments: (0) reading fragments from file: ./aat000_03_05.200_v1_3 … 

        core.io.fragments: (0) rosetta++ fileformat detected! Calling legacy reader… 

        core.fragments.ConstantLengthFragSet: (0) finished reading top 200 3mer fragments from file ./aat000_03_05.200_v1_3

        core.fragment: (0) compute strand/loop fractions for 117 residues… 

        protocols.abinitio.AbrelaxApplication: (0) run ClassicAbinitio…..

        basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.HS.resmooth

        basic.io.database: (0) Database file opened: scoring/score_functions/SecondaryStructurePotential/phi.theta.36.SS.resmooth

        core.scoring.ScoreFunction: (0) ATOM_VDW set to CENTROID_ROT_MIN

        core.scoring.ramachandran: (0) shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated.

        basic.io.database: (0) Database file opened: scoring/score_functions/rama/shapovalov/kappa25/all.ramaProb

        basic.io.database: (0) Database file opened: scoring/score_functions/centroid_smooth/cen_rot_pair_params.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/centroid_smooth/cen_rot_env_params.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/centroid_smooth/cen_rot_cbeta_params.txt

        basic.io.database: (0) Database file opened: scoring/score_functions/centroid_smooth/cen_rot_pair_ang_params.txt

        core.scoring.AtomVDW: (0) Openning alternative vdw file: /N/soft/cle6/rosetta/gnu/rosetta_src_2019.35.60890_bundle/main/database/chemical/atom_type_sets/centroid_rot//min.txt

        core.scoring.ScoreFunction: (0) ATOM_VDW set to CENTROID_ROT_MIN

        core.scoring.ScoreFunctionFactory: (0) SCOREFUNCTION: ref2015

        protocols.jobdist.JobDistributors: (0) Node: 0 next_job()

        protocols.jobdist.JobDistributors: (0) Master Node — Waiting for job request; tag_ = 1

        Killed

      • #15236
        Anonymous

          It looks like you’re running an MPI compilation of Rosetta without using mpirun or srun.  As such, you’re only launching one process, and it’s sitting there waiting for worker processes (that don’t exist) to ask it for work.

          Depending on your cluster, you need to use mpirun or srun to launch MPI programs.  See https://kb.iu.edu/d/awrz#mpi for the Indiana State University’s cluster.

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