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: ----------------------- representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si']representative atom coordinates = [[0.32505552 0.70403773 0.45810863] [0.29733245 0.69883411 0.95040994] [0.09987031 0.38625813 0.64024665] [0.11214089 0.91748239 0.16513876] [0.10992186 0.14649812 0.12842432] [0.12337149 0.68615518 0.18170083] [0.27403775 0.4547427 0.95517716] [0.28261726 0.93485357 0.93472728] [0.10889145 0.15284386 0.66770504] [0.122455 0.62995559 0.63900458] [0.28136992 0.4446318 0.42785167] [0.2905605 0.94687155 0.46637646] [0.50119407 0.27617172 0.2446185 ] [0.50189622 0.23025 0.75590714] [0.29607757 0.06502395 0.70682201] [0.29084122 0.3314888 0.18901533]]spacegroup = 2cell = [[7.2048, 0, 0], [-2.1880001736638, 7.6265447536907, 0], [-1.0883162252511, -0.30213943083576, 5.5218683430692]]========================================= 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":3.28,"usertime":3.66,"systime":9.24,"memmax":188548,"memavg":0} output/kim.log: --------------- 2023-11-14:13:25:07MST * 0 * information * 0x2b43b20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:07MST * 1 * information * 0x2b43b20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:25:07MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b43b20'.2023-11-14:13:25:07MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:07MST * 0 * information * 0x2b43b20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:07MST * 0 * information * 0x2b43fe0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:07MST * 1 * information * 0x2b43fe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b43b20_Collections'.2023-11-14:13:25:07MST * 2 * information * 0x2b43b20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b43fe0'.2023-11-14:13:25:07MST * 3 * information * 0x2b43b20_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:07MST * 1 * information * 0x2b43b20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:25:07MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b43b20'.2023-11-14:13:25:07MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:07MST * 0 * information * 0x2b43b20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:07MST * 0 * information * 0x2b45000 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:07MST * 1 * information * 0x2b45000 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b43b20_Collections'.2023-11-14:13:25:07MST * 2 * information * 0x2b43b20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b45000'.2023-11-14:13:25:07MST * 3 * information * 0x2b43b20_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:07MST * 1 * information * 0x2b43b20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:25:07MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b43b20'.2023-11-14:13:25:07MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.