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: ----------------------- [ 1.18755387e+00 -5.37681009e-01 -2.92765303e+00] [-1.18755387e+00 5.37681009e-01 2.92765303e+00] [ 3.81489727e+00 2.39933376e+00 -1.52273140e+00] [-3.81489727e+00 -2.39933376e+00 1.52273140e+00] [-4.08282297e-01 -7.01291367e-01 -2.71235706e+00] [ 4.08282297e-01 7.01291367e-01 2.71235706e+00] [ 9.71725141e-02 -1.83184562e+00 1.34809197e+00] [-9.71725141e-02 1.83184562e+00 -1.34809197e+00] [-1.36596720e+05 7.12690825e+04 -8.96689667e+04] [ 1.36596720e+05 -7.12690825e+04 8.96689667e+04] [ 4.44818637e+04 -1.55247216e+03 -2.25793237e+03] [-4.44818637e+04 1.55247216e+03 2.25793237e+03] [-1.77410598e-01 -4.33903017e+00 2.78486499e+00] [ 1.77410598e-01 4.33903017e+00 -2.78486499e+00] [-1.81266008e+05 7.26889870e+04 -8.72086243e+04] [ 1.81266008e+05 -7.26889870e+04 8.72086243e+04]]stress = [-0.10224927 -0.11446876 0.27006525 0.15231618 -0.22425076 -0.21672922]energy per atom = -14.472899089286408===============================================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-3a9a4065-ba57-4a15-b94a-be54234f14dd-007-136f35f5-caa6-4d2f-9abb-107a356065b3/TE_462252167002_002-and-SM_513612626462_000-1713995402/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP22_2_7i_4i_OTi__TE_462252167002_002/] - [user=bwaters2] - [host=c013] - [PID=1651362] - [date=Wed May 1 19:03:02 2024] - [aflow_xatom.cpp]EEEEE ERROR isTranslationVector(): Zero tolerance: 1.67873e-12 - [dir=/mmfs1/scratch/bwaters2/bwaters/job-3a9a4065-ba57-4a15-b94a-be54234f14dd-007-136f35f5-caa6-4d2f-9abb-107a356065b3/TE_462252167002_002-and-SM_513612626462_000-1713995402/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP22_2_7i_4i_OTi__TE_462252167002_002/] - [user=bwaters2] - [host=c013] - [PID=1651362] - [date=Wed May 1 19:03:02 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ERROR XSTRUCTURE>>: ERROR 12 in XSTRUCTURE>>:: Input Error (missing flag) - [dir=/mmfs1/scratch/bwaters2/bwaters/job-3a9a4065-ba57-4a15-b94a-be54234f14dd-007-136f35f5-caa6-4d2f-9abb-107a356065b3/TE_462252167002_002-and-SM_513612626462_000-1713995402/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP22_2_7i_4i_OTi__TE_462252167002_002/] - [user=bwaters2] - [host=c013] - [PID=1651363] - [date=Wed May 1 19:03:02 2024] - [aflow_xatom.cpp]EEEEE ERROR XSTRUCTURE>>: No input - [dir=/mmfs1/scratch/bwaters2/bwaters/job-3a9a4065-ba57-4a15-b94a-be54234f14dd-007-136f35f5-caa6-4d2f-9abb-107a356065b3/TE_462252167002_002-and-SM_513612626462_000-1713995402/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP22_2_7i_4i_OTi__TE_462252167002_002/] - [user=bwaters2] - [host=c013] - [PID=1651363] - [date=Wed May 1 19:03:02 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- Command exited with non-zero status 1{"realtime":4183.97,"usertime":5684.69,"systime":39817.24,"memmax":243812,"memavg":0} output/kim.log: --------------- 2024-05-01:19:03:00MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:19:03:00MDT * 0 * information * 0x4cca3c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:19:03:00MDT * 0 * information * 0x4ccc060 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:19:03:00MDT * 1 * information * 0x4ccc060 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x4cca3c0_Collections'.2024-05-01:19:03:00MDT * 2 * information * 0x4cca3c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4ccc060'.2024-05-01:19:03:00MDT * 3 * information * 0x4cca3c0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:19:03:00MDT * 1 * information * 0x4cca3c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-01:19:03:00MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4cca3c0'.2024-05-01:19:03:00MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:19:03:00MDT * 0 * information * 0x4cca3c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:19:03:00MDT * 0 * information * 0x4ccc060 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:19:03:00MDT * 1 * information * 0x4ccc060 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x4cca3c0_Collections'.2024-05-01:19:03:00MDT * 2 * information * 0x4cca3c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4ccc060'.2024-05-01:19:03:00MDT * 3 * information * 0x4cca3c0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:19:03:00MDT * 1 * information * 0x4cca3c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-01:19:03:00MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4cca3c0'.2024-05-01:19:03:00MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:19:03:02MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:19:03:02MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:19:03:02MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.