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: ----------------------- standardnumber of parameter sets:1Parameter values for parameter set 0:['10.417', '1.2462801', '0.51390036', '0.13628734', '0.80212272', '0.21390477', '0.98674734', '0.28897058', '0.17535903', '0.065214086', '0.63088854', '0.35818367', '0.34940152', '0.42404466', '0.50336923', '0.68694013', '0.35423683', '0.5064851', '0.85993584']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'O', 'O', 'O']representative atom coordinates = [[0. 0. 0. ] [0.13628734 0.25 0.80212272] [0.21390477 0.25 0.98674734] [0.28897058 0.25 0.17535903] [0.42404466 0.50336923 0.68694013] [0.06521409 0.25 0.63088854] [0.35818367 0.25 0.34940152] [0.35423683 0.5064851 0.85993584]]spacegroup = 62cell = [[10.417, 0, 0], [0, 12.9825, 0], [0, 0, 5.3533]]========================================= 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":5.85,"usertime":5.96,"systime":14.36,"memmax":203840,"memavg":0} output/kim.log: --------------- 2023-04-05:15:29:36MDT * 0 * information * 0x395afc0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:29:36MDT * 1 * information * 0x395afc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-05:15:29:36MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x395afc0'.2023-04-05:15:29:36MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:29:36MDT * 0 * information * 0x395afc0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:29:36MDT * 0 * information * 0x395b4b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:29:36MDT * 1 * information * 0x395b4b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x395afc0_Collections'.2023-04-05:15:29:36MDT * 2 * information * 0x395afc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x395b4b0'.2023-04-05:15:29:36MDT * 3 * information * 0x395afc0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:29:36MDT * 1 * information * 0x395afc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:15:29:36MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x395afc0'.2023-04-05:15:29:36MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:29:36MDT * 0 * information * 0x395afc0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:29:36MDT * 0 * information * 0x395c720 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:29:36MDT * 1 * information * 0x395c720 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x395afc0_Collections'.2023-04-05:15:29:36MDT * 2 * information * 0x395afc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x395c720'.2023-04-05:15:29:36MDT * 3 * information * 0x395afc0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:29:36MDT * 1 * information * 0x395afc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:15:29:36MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x395afc0'.2023-04-05:15:29:36MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.