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:['3.0944', '6.5432717', '0.093915855', '8.6112634e-05', '0.84410353', '0.21875375', '0.46888551', '0.12501023', '0.75009154', '0.37515347']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0.0000000e+00 0.0000000e+00 9.3915855e-02] [3.3333333e-01 6.6666667e-01 3.4410353e-01] [3.3333333e-01 6.6666667e-01 7.1875375e-01] [3.3333333e-01 6.6666667e-01 9.6888551e-01] [0.0000000e+00 0.0000000e+00 8.6112634e-05] [3.3333333e-01 6.6666667e-01 6.2501023e-01] [3.3333333e-01 6.6666667e-01 2.5009154e-01] [3.3333333e-01 6.6666667e-01 8.7515347e-01]]spacegroup = 186cell = [[3.0944, 0, 0], [-1.5472, 2.6798290094706, 0], [0, 0, 20.2475]]========================================= 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":3.54,"usertime":5.79,"systime":17.88,"memmax":129420,"memavg":0} output/kim.log: --------------- 2023-04-17:11:35:06MDT * 0 * information * 0x2f0f0e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:11:35:06MDT * 1 * information * 0x2f0f0e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-17:11:35:06MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0f0e0'.2023-04-17:11:35:06MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:11:35:06MDT * 0 * information * 0x2f0f0e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:11:35:06MDT * 0 * information * 0x2f0f780 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:11:35:06MDT * 1 * information * 0x2f0f780 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f0f0e0_Collections'.2023-04-17:11:35:06MDT * 2 * information * 0x2f0f0e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0f780'.2023-04-17:11:35:06MDT * 3 * information * 0x2f0f0e0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:11:35:06MDT * 1 * information * 0x2f0f0e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:11:35:06MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0f0e0'.2023-04-17:11:35:06MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:11:35:06MDT * 0 * information * 0x2f0f0e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:11:35:06MDT * 0 * information * 0x2f10bb0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:11:35:06MDT * 1 * information * 0x2f10bb0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f0f0e0_Collections'.2023-04-17:11:35:06MDT * 2 * information * 0x2f0f0e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f10bb0'.2023-04-17:11:35:06MDT * 3 * information * 0x2f0f0e0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:11:35:06MDT * 1 * information * 0x2f0f0e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:11:35:06MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f0f0e0'.2023-04-17:11:35:06MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.