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: ----------------------- Parameter values for parameter set 0:['5.6143', '3.9269722', '0.14995523', '0.52806807', '0.69101542', '0.4452859', '0.81846419', '0.1684191', '0.10954393', '0.1551535', '0.94771108', '0.50349011', '0.85050882']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Ca', 'O', 'O', 'O', 'O', 'O']representative atom coordinates = [[0. 0. 0. ] [0. 0. 0.25 ] [0.33333333 0.66666667 0.52806807] [0.33333333 0.66666667 0.69101542] [0.1684191 0.3368382 0.10954393] [0.33333333 0.66666667 0.25 ] [0. 0. 0.14995523] [0.33333333 0.66666667 0.4452859 ] [0.81846419 0.63692838 0.25 ] [0.1551535 0.310307 0.94771108] [0.50349011 0.00698022 0.85050882]]spacegroup = 194cell = [[5.6143, 0, 0], [-2.80715, 4.862126424467, 0], [0, 0, 22.0472]]========================================= 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":5.68,"usertime":6.02,"systime":11.77,"memmax":310296,"memavg":0} output/kim.log: --------------- 2023-11-14:13:21:32MST * 0 * information * 0x2a58ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:32MST * 1 * information * 0x2a58ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:21:32MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a58ed0'.2023-11-14:13:21:32MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:32MST * 0 * information * 0x2a58ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:32MST * 0 * information * 0x2a59360 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:32MST * 1 * information * 0x2a59360 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2a58ed0_Collections'.2023-11-14:13:21:32MST * 2 * information * 0x2a58ed0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a59360'.2023-11-14:13:21:32MST * 3 * information * 0x2a58ed0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:32MST * 1 * information * 0x2a58ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:21:32MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a58ed0'.2023-11-14:13:21:32MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:32MST * 0 * information * 0x2a58ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:32MST * 0 * information * 0x2a5a4a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:32MST * 1 * information * 0x2a5a4a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2a58ed0_Collections'.2023-11-14:13:21:32MST * 2 * information * 0x2a58ed0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a5a4a0'.2023-11-14:13:21:32MST * 3 * information * 0x2a58ed0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:32MST * 1 * information * 0x2a58ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:21:32MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a58ed0'.2023-11-14:13:21:32MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.