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: ----------------------- A2B_cI144_206_2de_eParameter names:['a', 'x1', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['12.0878', '0.99990998', '0.72753021', '0.37750788', '0.86225898', '0.36158481', '0.37345964', '0.7551385', '0.44472022']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'Si']representative atom coordinates = [[0.99990998 0. 0.25 ] [0.72753021 0. 0.25 ] [0.87750788 0.36225898 0.86158481] [0.37345964 0.7551385 0.44472022]]spacegroup = 206cell = [[12.0878, 0, 0], [0, 12.0878, 0], [0, 0, 12.0878]]========================================= 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":60.95,"usertime":37.60,"systime":5.85,"memmax":257872,"memavg":0} output/kim.log: --------------- 2023-09-19:18:07:23MDT * 0 * information * 0x3e21260 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:23MDT * 1 * information * 0x3e21260 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-19:18:07:23MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3e21260'.2023-09-19:18:07:23MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:23MDT * 0 * information * 0x3e21260 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:23MDT * 0 * information * 0x3e21720 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:23MDT * 1 * information * 0x3e21720 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3e21260_Collections'.2023-09-19:18:07:23MDT * 2 * information * 0x3e21260_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3e21720'.2023-09-19:18:07:23MDT * 3 * information * 0x3e21260_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:23MDT * 1 * information * 0x3e21260 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:07:23MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3e21260'.2023-09-19:18:07:23MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:23MDT * 0 * information * 0x3e21260 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:23MDT * 0 * information * 0x3e22b50 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:23MDT * 1 * information * 0x3e22b50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3e21260_Collections'.2023-09-19:18:07:23MDT * 2 * information * 0x3e21260_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3e22b50'.2023-09-19:18:07:23MDT * 3 * information * 0x3e21260_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:23MDT * 1 * information * 0x3e21260 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:07:23MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3e21260'.2023-09-19:18:07:23MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.