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:['4.9992', '0.99893983', '1.3804609', '0.50875063', '0.48279178', '0.99671733', '0.48267676', '0.70982599', '0.80827193', '0.77850883', '0.90502842', '0.23691888', '0.15760525', '0.29318137', '0.05648491', '0.75249436', '0.35836124', '0.2433231', '0.75295991', '0.23368985']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'Si']representative atom coordinates = [[0. 0.50875063 0.48279178] [0. 0.99671733 0.48267676] [0. 0.70982599 0.80827193] [0. 0.77850883 0.90502842] [0. 0.23691888 0.15760525] [0. 0.29318137 0.05648491] [0.2433231 0.75295991 0.23368985] [0. 0.75249436 0.35836124]]spacegroup = 31cell = [[4.9992, 0, 0], [0, 4.9939, 0], [0, 0, 6.9012]]========================================= 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":18.48,"usertime":28.10,"systime":31.79,"memmax":109876,"memavg":0} output/kim.log: --------------- 2023-04-07:12:31:49CDT * 0 * information * 0x3d61680 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:12:31:49CDT * 1 * information * 0x3d61680 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-07:12:31:49CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d61680'.2023-04-07:12:31:49CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:12:31:49CDT * 0 * information * 0x3d61680 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:12:31:49CDT * 0 * information * 0x3d61d80 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:12:31:49CDT * 1 * information * 0x3d61d80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3d61680_Collections'.2023-04-07:12:31:49CDT * 2 * information * 0x3d61680_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d61d80'.2023-04-07:12:31:49CDT * 3 * information * 0x3d61680_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:12:31:49CDT * 1 * information * 0x3d61680 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-07:12:31:49CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d61680'.2023-04-07:12:31:49CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:12:31:49CDT * 0 * information * 0x3d61680 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:12:31:49CDT * 0 * information * 0x3d634c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:12:31:49CDT * 1 * information * 0x3d634c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3d61680_Collections'.2023-04-07:12:31:49CDT * 2 * information * 0x3d61680_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d634c0'.2023-04-07:12:31:49CDT * 3 * information * 0x3d61680_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:12:31:49CDT * 1 * information * 0x3d61680 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-07:12:31:49CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3d61680'.2023-04-07:12:31:49CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.