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: ----------------------- AFLOW prototype label:A_mC16_12_2ijParameter names:['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['8.8714', '0.72872376', '0.90691435', '149.5346', '0.035798797', '0.8320927', '0.27785058', '0.13359954', '0.37903066', '0.26389389', '0.84925787']model name:Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O']representative atom coordinates = [[0.7962939 0. 0.76049511] [0.85574896 0. 0.57789838] [0.97022721 0.76389389 0.09119655]]spacegroup = 12cell = [[9.5678, 0, 0], [0, 6.4648, 0], [-2.4667174184809, 0, 3.7823205228224]]========================================= output/pipeline.stderr: ----------------------- Local host: c404-001 Local device: hfi1_0--------------------------------------------------------------------------Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 156, in File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 500, in get_property File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 356, in calculate File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 379, in propagate File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 657, in initialise_lammps File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 581, in command self.lib.lammps_command(self.lmp,cmd) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 49, in __exit__ raise self.lmp._lammps_exceptionException: ERROR: Boundary command after simulation box is defined (src/input.cpp:1366)Command exited with non-zero status 1{"realtime":33.88,"usertime":37.94,"systime":33.43,"memmax":166372,"memavg":0} output/kim.log: --------------- 2023-05-08:10:38:01CDT * 0 * information * 0x3d58d90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:10:38:01CDT * 1 * information * 0x3d58d90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:10:38:01CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d58d90'.2023-05-08:10:38:01CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:10:38:01CDT * 0 * information * 0x3d58d90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:10:38:01CDT * 0 * information * 0x3d5a8c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:10:38:01CDT * 1 * information * 0x3d5a8c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3d58d90_Collections'.2023-05-08:10:38:01CDT * 2 * information * 0x3d58d90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d5a8c0'.2023-05-08:10:38:01CDT * 3 * information * 0x3d58d90_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:10:38:01CDT * 1 * information * 0x3d58d90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:10:38:01CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d58d90'.2023-05-08:10:38:01CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:10:38:01CDT * 0 * information * 0x3d58d90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:10:38:01CDT * 0 * information * 0x3d593e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:10:38:01CDT * 1 * information * 0x3d593e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3d58d90_Collections'.2023-05-08:10:38:01CDT * 2 * information * 0x3d58d90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d593e0'.2023-05-08:10:38:01CDT * 3 * information * 0x3d58d90_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:10:38:01CDT * 1 * information * 0x3d58d90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:10:38:01CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d58d90'.2023-05-08:10:38:02CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.