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_cP24_198_ab_2aParameter names:['a', 'x1', 'x2', 'x3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['7.2413', '0.1469944', '0.27586633', '0.018237281', '0.6395963', '0.65590675', '0.054502155']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'Si', 'Si']representative atom coordinates = [[0.1469944 0.1469944 0.1469944 ] [0.6395963 0.65590675 0.05450215] [0.27586633 0.27586633 0.27586633] [0.01823728 0.01823728 0.01823728]]spacegroup = 198cell = [[7.2413, 0, 0], [0, 7.2413, 0], [0, 0, 7.2413]]========================================= 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":4.72,"usertime":3.98,"systime":6.91,"memmax":171624,"memavg":0} output/kim.log: --------------- 2023-09-18:12:04:22MDT * 0 * information * 0x21aed60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 1 * information * 0x21aed60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-18:12:04:22MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21aed60'.2023-09-18:12:04:22MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 0 * information * 0x21aed60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 0 * information * 0x21af190 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 1 * information * 0x21af190 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x21aed60_Collections'.2023-09-18:12:04:22MDT * 2 * information * 0x21aed60_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21af190'.2023-09-18:12:04:22MDT * 3 * information * 0x21aed60_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 1 * information * 0x21aed60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:12:04:22MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21aed60'.2023-09-18:12:04:22MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 0 * information * 0x21aed60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 0 * information * 0x21b0300 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 1 * information * 0x21b0300 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x21aed60_Collections'.2023-09-18:12:04:22MDT * 2 * information * 0x21aed60_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21b0300'.2023-09-18:12:04:22MDT * 3 * information * 0x21aed60_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 1 * information * 0x21aed60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:12:04:22MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21aed60'.2023-09-18:12:04:22MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.