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 = ['Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']representative atom coordinates = [[0.5001709 0.4998291 0.00188748] [0.18298026 0.81701974 0.11221467] [0.48365112 0.51634888 0.22415614] [0. 0. 0.07284767] [0. 0. 0.28577901] [0. 0. 0.85207124] [0. 0. 0.38620145] [0. 0. 0.50035722] [0. 0. 0.61576313] [0.54148984 0.45851016 0.31852609] [0.12552524 0.87447476 0.20104539] [0.54255735 0.45744265 0.09680956] [0. 0. 0.00727385] [0. 0. 0.22146276] [0. 0. 0.78632559]]spacegroup = 160cell = [[7.1781, 0, 0], [-3.58905, 6.2164169509051, 0], [0, 0, 25.4554]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, 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":4.35,"usertime":6.01,"systime":24.14,"memmax":261800,"memavg":0} output/kim.log: --------------- 2023-11-17:13:43:04MST * 0 * information * 0x27e46d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:43:04MST * 1 * information * 0x27e46d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:13:43:04MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27e46d0'.2023-11-17:13:43:04MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:43:04MST * 0 * information * 0x27e46d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:43:04MST * 0 * information * 0x27e4b60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:43:04MST * 1 * information * 0x27e4b60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x27e46d0_Collections'.2023-11-17:13:43:04MST * 2 * information * 0x27e46d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27e4b60'.2023-11-17:13:43:04MST * 3 * information * 0x27e46d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:43:04MST * 1 * information * 0x27e46d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:43:04MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27e46d0'.2023-11-17:13:43:04MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:43:04MST * 0 * information * 0x27e46d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:43:04MST * 0 * information * 0x2722b40 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:43:04MST * 1 * information * 0x2722b40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x27e46d0_Collections'.2023-11-17:13:43:04MST * 2 * information * 0x27e46d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2722b40'.2023-11-17:13:43:04MST * 3 * information * 0x27e46d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:43:04MST * 1 * information * 0x27e46d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:43:04MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27e46d0'.2023-11-17:13:43:04MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.