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: ----------------------- ==== Building ASE atoms object with: ====representative atom symbols = ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B']representative atom coordinates = [[0. 0. 0. ] [0. 0. 0.11520651] [0.05359771 0.94640229 0.44365087] [0.91387505 0.08612495 0.48646104] [0.8897131 0.1102869 0.61484182] [0.1287535 0.8712465 0.26715517] [0.8292874 0.1707126 0.47185206] [0.76890933 0.23109067 0.53192665] [0.72793991 0.27206009 0.38764701] [0.91063842 0.08936158 0.10009264] [0.94401332 0.05598668 0.17446318] [0.00158331 0.17350223 0.32419023] [0.70471484 0.680273 0.62931675] [0.71102396 0.59745964 0.41338089] [0.64971854 0.56703218 0.48672968]]spacegroup = 166cell = [[10.9133, 0, 0], [-5.45665, 9.4511950391207, 0], [0, 0, 23.747]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 500, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 356, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 379, in propagate self.initialise_lammps(atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 657, in initialise_lammps self.lmp.command('boundary ' + self.lammpsbc(atoms)) 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":11.77,"usertime":15.20,"systime":24.07,"memmax":267748,"memavg":0} output/kim.log: --------------- 2023-05-01:16:35:58MDT * 0 * information * 0x35e8870 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:35:58MDT * 1 * information * 0x35e8870 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-01:16:35:58MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e8870'.2023-05-01:16:35:58MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:35:58MDT * 0 * information * 0x35e8870 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:35:58MDT * 0 * information * 0x35e9a80 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:35:58MDT * 1 * information * 0x35e9a80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x35e8870_Collections'.2023-05-01:16:35:58MDT * 2 * information * 0x35e8870_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e9a80'.2023-05-01:16:35:58MDT * 3 * information * 0x35e8870_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:35:58MDT * 1 * information * 0x35e8870 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-01:16:35:58MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e8870'.2023-05-01:16:35:58MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:35:58MDT * 0 * information * 0x35e8870 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:35:58MDT * 0 * information * 0x35e8ce0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:35:58MDT * 1 * information * 0x35e8ce0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x35e8870_Collections'.2023-05-01:16:35:58MDT * 2 * information * 0x35e8870_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e8ce0'.2023-05-01:16:35:58MDT * 3 * information * 0x35e8870_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:35:58MDT * 1 * information * 0x35e8870 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-01:16:35:58MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e8870'.2023-05-01:16:35:58MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.