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: ----------------------- 1Parameter values for parameter set 0:['14.1001', '1.2709342', '0.37459309', '0.38053741', '0.72420645', '0.73276095', '0.32844391', '0.9994081', '0.40656221', '0.93327103', '0.59187686', '0.27839884', '0.22975944', '0.876952', '0.29368312', '0.95204216', '0.7059022', '0.28869502']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0.25 0.25 0. ] [0.73276095 0. 0. ] [0. 0.32844391 0.9994081 ] [0.40656221 0.93327103 0.25 ] [0.59187686 0.27839884 0.25 ] [0.22975944 0.876952 0.25 ] [0. 0.38053741 0.25 ] [0. 0.72420645 0.25 ] [0.29368312 0.95204216 0.25 ] [0.7059022 0.28869502 0.25 ]]spacegroup = 63cell = [[14.1001, 0, 0], [0, 17.9203, 0], [0, 0, 5.2818]]========================================= 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":5.95,"usertime":6.11,"systime":12.85,"memmax":310588,"memavg":0} output/kim.log: --------------- 2023-04-04:14:16:30MDT * 0 * information * 0x1eeb4f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:16:30MDT * 1 * information * 0x1eeb4f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:14:16:30MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eeb4f0'.2023-04-04:14:16:30MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:16:30MDT * 0 * information * 0x1eeb4f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:16:30MDT * 0 * information * 0x1eeb920 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:16:30MDT * 1 * information * 0x1eeb920 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1eeb4f0_Collections'.2023-04-04:14:16:30MDT * 2 * information * 0x1eeb4f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eeb920'.2023-04-04:14:16:30MDT * 3 * information * 0x1eeb4f0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:16:30MDT * 1 * information * 0x1eeb4f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:14:16:30MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eeb4f0'.2023-04-04:14:16:30MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:16:30MDT * 0 * information * 0x1eeb4f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:16:30MDT * 0 * information * 0x1eec900 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:16:30MDT * 1 * information * 0x1eec900 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1eeb4f0_Collections'.2023-04-04:14:16:30MDT * 2 * information * 0x1eeb4f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eec900'.2023-04-04:14:16:30MDT * 3 * information * 0x1eeb4f0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:16:30MDT * 1 * information * 0x1eeb4f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:14:16:30MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eeb4f0'.2023-04-04:14:16:30MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.