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: ----------------------- model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['7.1442', '1.1643151', '0.9266118', '106.9558', '0.46706653', '0.47872488', '0.96598748', '0.81336796', '0.4995277', '0.73948608', '0.64251098', '0.35939865', '0.22228583', '0.5959974', '0.51647433', '0.34482678', '0.59619093', '0.19038668', '0.13841818', '0.57159668', '0.25513751']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'P', 'P', 'P']representative atom coordinates = [[0.52127512 0.25 0.46706653] [0.18663204 0.25 0.96598748] [0.48352567 0.5959974 0.22228583] [0.80961332 0.59619093 0.34482678] [0.26051392 0.25 0.4995277 ] [0.64060135 0.25 0.64251098] [0.74486249 0.57159668 0.13841818]]spacegroup = 11cell = [[6.6199, 0, 0], [0, 8.3181, 0], [2.0834908393183, 0, 6.8336417496439]]========================================= 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":5.92,"usertime":3.82,"systime":4.50,"memmax":169660,"memavg":0} output/kim.log: --------------- 2023-09-19:18:27:29MDT * 0 * information * 0x2e489e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:27:29MDT * 1 * information * 0x2e489e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-19:18:27:29MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e489e0'.2023-09-19:18:27:29MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:27:29MDT * 0 * information * 0x2f952f0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:27:29MDT * 0 * information * 0x2f983b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:27:29MDT * 1 * information * 0x2f983b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f952f0_Collections'.2023-09-19:18:27:29MDT * 2 * information * 0x2f952f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f983b0'.2023-09-19:18:27:29MDT * 3 * information * 0x2f952f0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:27:29MDT * 1 * information * 0x2f952f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:27:29MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f952f0'.2023-09-19:18:27:29MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:27:29MDT * 0 * information * 0x2f952f0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:27:29MDT * 0 * information * 0x2f98640 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:27:29MDT * 1 * information * 0x2f98640 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f952f0_Collections'.2023-09-19:18:27:29MDT * 2 * information * 0x2f952f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f98640'.2023-09-19:18:27:29MDT * 3 * information * 0x2f952f0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:27:29MDT * 1 * information * 0x2f952f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:27:29MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f952f0'.2023-09-19:18:27:29MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.