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:['4.0749', '0.87332204', '10.101205', '0.77498935', '0.675153', '0.87483193', '0.57516893', '0.97365054', '0.27489507', '0.17506105', '0.37475932', '0.075451031', '0.47648355']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Au', 'Au', 'Au', 'Au', 'Au', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']representative atom coordinates = [[0. 0.25 0.97501065] [0. 0.25 0.074847 ] [0. 0.25 0.87516807] [0. 0.25 0.17483107] [0. 0.25 0.77634946] [0. 0.25 0.47510493] [0. 0.25 0.57493895] [0. 0.25 0.37524068] [0. 0.25 0.67454897] [0. 0.25 0.27351645]]spacegroup = 74cell = [[3.5587, 0, 0], [0, 4.0749, 0], [0, 0, 41.1614]]========================================= 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":4.82,"usertime":7.71,"systime":22.37,"memmax":129784,"memavg":0} output/kim.log: --------------- 2023-04-21:11:00:23MDT * 0 * information * 0x24b83d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:11:00:23MDT * 1 * information * 0x24b83d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-21:11:00:23MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x24b83d0'.2023-04-21:11:00:23MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:11:00:23MDT * 0 * information * 0x24b83d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:11:00:23MDT * 0 * information * 0x24b8890 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:11:00:23MDT * 1 * information * 0x24b8890 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x24b83d0_Collections'.2023-04-21:11:00:23MDT * 2 * information * 0x24b83d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x24b8890'.2023-04-21:11:00:23MDT * 3 * information * 0x24b83d0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:11:00:23MDT * 1 * information * 0x24b83d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:11:00:23MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x24b83d0'.2023-04-21:11:00:23MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:11:00:23MDT * 0 * information * 0x24b83d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:11:00:23MDT * 0 * information * 0x24b9be0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:11:00:23MDT * 1 * information * 0x24b9be0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x24b83d0_Collections'.2023-04-21:11:00:23MDT * 2 * information * 0x24b83d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x24b9be0'.2023-04-21:11:00:23MDT * 3 * information * 0x24b83d0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:11:00:23MDT * 1 * information * 0x24b83d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:11:00:23MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x24b83d0'.2023-04-21:11:00:23MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.