RuntimeError: Job process returned error code 1 Traceback (most recent call last): File "/usr/local/bin/run_openkim_job.py", line 546, in execute_in_place(runner, runner_driver, subject, subject_driver, env) File "/usr/local/bin/run_openkim_job.py", line 396, in execute_in_place raise RuntimeError(f"Job process returned error code {retcode}") RuntimeError: Job process returned error code 1 output/pipeline.stdout: ----------------------- [-4.28917440e+01 1.11446720e+02 1.46201076e+01] [ 4.28917440e+01 -1.11446720e+02 -1.46201076e+01] [-1.04941540e+01 1.52512030e+01 6.39908352e+00] [ 1.04941540e+01 -1.52512030e+01 -6.39908352e+00] [-1.50660020e+06 3.43059030e+05 2.17990144e+05] [ 1.50660020e+06 -3.43059030e+05 -2.17990144e+05] [-6.28113442e+00 1.14020436e+01 -1.93363457e+01] [ 6.28113442e+00 -1.14020436e+01 1.93363457e+01] [-2.46939104e+00 2.40063235e+00 -1.30531182e+00] [ 2.46939104e+00 -2.40063235e+00 1.30531182e+00] [ 5.23630364e+03 3.97107352e+02 1.19853982e+03] [-5.23630364e+03 -3.97107352e+02 -1.19853982e+03] [-2.69398751e+01 -7.33997516e+00 4.72837622e+01] [ 2.69398751e+01 7.33997516e+00 -4.72837622e+01] [-4.92863973e+01 1.11288456e+02 3.88791862e+01] [ 4.92863973e+01 -1.11288456e+02 -3.88791862e+01]]stress = [ 0.01496407 0.56250378 -0.04676557 0.19908281 0.12646223 -0.24233989]energy per atom = -25.458967428463495===============================================Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. output/pipeline.stderr: ----------------------- find_unique_materials_and_write_properties(COMPARE_DIR, prototype_label, energy_per_atom, species) File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/property_util/equilibrium_crystal_structure.py", line 215, in find_unique_materials_and_write_properties relax_proto_des=aflow.get_prototype(relax_poscar_path) File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/aflow_util.py", line 355, in get_prototype output=self.aflow_command([ File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/aflow_util.py", line 272, in aflow_command raise RuntimeError("ERROR: unexpected error from aflow command %s , error code = %d\nstderr: %s" % (cmd_str, exc.returncode, exc.stderr))RuntimeError: ERROR: unexpected error from aflow command aflow --np=1 --prim < compare/0 | aflow --np=1 --prototype --print=json , error code = 12stderr: EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ERROR isTranslationVector(): ERROR 31 in isTranslationVector():: Value Error (illegal value) - [dir=/mmfs1/scratch/bwaters2/bwaters/job-1b231ac2-10f6-4a3c-b957-d851bf004ce4-007-2f75232c-1b0a-4d46-8af9-ef13d7af61d6/TE_507740945575_002-and-SM_513612626462_000-1711661236/staged_job_files/repository/te/EquilibriumCrystalStructure_A11B6_aP102_2_33i_18i_OTi__TE_507740945575_002/] - [user=bwaters2] - [host=c026] - [PID=3586051] - [date=Fri Mar 29 00:08:59 2024] - [aflow_xatom.cpp]EEEEE ERROR isTranslationVector(): Zero tolerance: 5.90166e-11 - [dir=/mmfs1/scratch/bwaters2/bwaters/job-1b231ac2-10f6-4a3c-b957-d851bf004ce4-007-2f75232c-1b0a-4d46-8af9-ef13d7af61d6/TE_507740945575_002-and-SM_513612626462_000-1711661236/staged_job_files/repository/te/EquilibriumCrystalStructure_A11B6_aP102_2_33i_18i_OTi__TE_507740945575_002/] - [user=bwaters2] - [host=c026] - [PID=3586051] - [date=Fri Mar 29 00:08:59 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ERROR XSTRUCTURE>>: ERROR 12 in XSTRUCTURE>>:: Input Error (missing flag) - [dir=/mmfs1/scratch/bwaters2/bwaters/job-1b231ac2-10f6-4a3c-b957-d851bf004ce4-007-2f75232c-1b0a-4d46-8af9-ef13d7af61d6/TE_507740945575_002-and-SM_513612626462_000-1711661236/staged_job_files/repository/te/EquilibriumCrystalStructure_A11B6_aP102_2_33i_18i_OTi__TE_507740945575_002/] - [user=bwaters2] - [host=c026] - [PID=3586052] - [date=Fri Mar 29 00:08:59 2024] - [aflow_xatom.cpp]EEEEE ERROR XSTRUCTURE>>: No input - [dir=/mmfs1/scratch/bwaters2/bwaters/job-1b231ac2-10f6-4a3c-b957-d851bf004ce4-007-2f75232c-1b0a-4d46-8af9-ef13d7af61d6/TE_507740945575_002-and-SM_513612626462_000-1711661236/staged_job_files/repository/te/EquilibriumCrystalStructure_A11B6_aP102_2_33i_18i_OTi__TE_507740945575_002/] - [user=bwaters2] - [host=c026] - [PID=3586052] - [date=Fri Mar 29 00:08:59 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- Command exited with non-zero status 1{"realtime":6961.41,"usertime":9853.81,"systime":44038.43,"memmax":270316,"memavg":0} output/kim.log: --------------- 2024-03-29:00:08:58MDT * 1 * information * 0x2cb3500 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-03-29:00:08:58MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb3500'.2024-03-29:00:08:58MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-03-29:00:08:58MDT * 0 * information * 0x2cb3500 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-03-29:00:08:58MDT * 0 * information * 0x2bb4020 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-03-29:00:08:58MDT * 1 * information * 0x2bb4020 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2cb3500_Collections'.2024-03-29:00:08:58MDT * 2 * information * 0x2cb3500_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2bb4020'.2024-03-29:00:08:58MDT * 3 * information * 0x2cb3500_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-03-29:00:08:58MDT * 1 * information * 0x2cb3500 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-03-29:00:08:58MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb3500'.2024-03-29:00:08:58MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-03-29:00:08:58MDT * 0 * information * 0x2cb3500 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-03-29:00:08:58MDT * 0 * information * 0x2bb4020 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-03-29:00:08:58MDT * 1 * information * 0x2bb4020 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2cb3500_Collections'.2024-03-29:00:08:58MDT * 2 * information * 0x2cb3500_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2bb4020'.2024-03-29:00:08:58MDT * 3 * information * 0x2cb3500_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-03-29:00:08:58MDT * 1 * information * 0x2cb3500 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-03-29:00:08:58MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb3500'.2024-03-29:00:08:58MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-03-29:00:08:59MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.