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: ----------------------- number of parameter sets:1Parameter values for parameter set 0:['4.9298', '1.6204308', '2.7654469', '0.043386335', '0.35411576', '0.014480046', '0.070923667', '0.64901647', '0.058915407', '0.447792', '0.51458097', '0.97384602', '0.75482173', '0.24913544', '0.2047219', '0.41963124', '0.32826479', '0.32810503', '0.29726998', '0.13140534', '0.19804245', '0.36100599', '0.44316801', '0.15575091', '0.22833848', '0.4909695', '0.047884466', '0.46146669', '0.28219456', '0.22331125']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'O', 'Si', 'Si']representative atom coordinates = [[0.04338633 0.35411576 0.01448005] [0.07092367 0.64901647 0.05891541] [0.447792 0.51458097 0.97384602] [0.75482173 0.24913544 0.2047219 ] [0.41963124 0.32826479 0.32810503] [0.29726998 0.13140534 0.19804245] [0.36100599 0.44316801 0.15575091] [0.22833848 0.4909695 0.04788447] [0.46146669 0.28219456 0.22331125]]spacegroup = 19cell = [[4.9298, 0, 0], [0, 7.9884, 0], [0, 0, 13.6331]]========================================= 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":5.39,"usertime":5.40,"systime":11.65,"memmax":174108,"memavg":0} output/kim.log: --------------- 2023-11-17:14:04:58MST * 0 * information * 0x2f0a2b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 1 * information * 0x2f0a2b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:14:04:58MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0a2b0'.2023-11-17:14:04:58MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 0 * information * 0x2f0a2b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 0 * information * 0x2f0a7d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 1 * information * 0x2f0a7d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f0a2b0_Collections'.2023-11-17:14:04:58MST * 2 * information * 0x2f0a2b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0a7d0'.2023-11-17:14:04:58MST * 3 * information * 0x2f0a2b0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 1 * information * 0x2f0a2b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:04:58MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0a2b0'.2023-11-17:14:04:58MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 0 * information * 0x2f0a2b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 0 * information * 0x2f0ba50 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 1 * information * 0x2f0ba50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f0a2b0_Collections'.2023-11-17:14:04:58MST * 2 * information * 0x2f0a2b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0ba50'.2023-11-17:14:04:58MST * 3 * information * 0x2f0a2b0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 1 * information * 0x2f0a2b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:04:58MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0a2b0'.2023-11-17:14:04:58MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.