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: ----------------------- ['a', 'c/a', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['15.732393', '0.33556832', '0.5574733', '0.84810628', '0.59879838', '0.25162269', '0.65374741', '0.096413033', '0.056906892', '0.34500705', '0.098395144', '0.75098957', '0.15501208', '0.59773116']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Pd', 'Pd', 'Pd']representative atom coordinates = [[0. 0. 0. ] [0.88934731 0.06932761 0.66812599] [0.58436165 0.57084801 0.66726104] [0. 0. 0.5 ] [0.8901372 0.06837455 0.1667697 ] [0.58307863 0.57017978 0.16791094]]spacegroup = 148cell = [[15.7324, 0, 0], [-7.8662, 13.624658062498, 0], [0, 0, 5.2793]]========================================= 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":3.97,"usertime":6.63,"systime":20.27,"memmax":142268,"memavg":0} output/kim.log: --------------- 2023-04-21:10:48:27MDT * 0 * information * 0x291ba10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:48:27MDT * 1 * information * 0x291ba10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-21:10:48:27MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x291ba10'.2023-04-21:10:48:27MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:48:27MDT * 0 * information * 0x291ba10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:48:27MDT * 0 * information * 0x291c080 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:48:27MDT * 1 * information * 0x291c080 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x291ba10_Collections'.2023-04-21:10:48:27MDT * 2 * information * 0x291ba10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x291c080'.2023-04-21:10:48:27MDT * 3 * information * 0x291ba10_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:48:27MDT * 1 * information * 0x291ba10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:10:48:27MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x291ba10'.2023-04-21:10:48:27MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:48:27MDT * 0 * information * 0x291ba10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:48:27MDT * 0 * information * 0x291d3a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:48:27MDT * 1 * information * 0x291d3a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x291ba10_Collections'.2023-04-21:10:48:27MDT * 2 * information * 0x291ba10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x291d3a0'.2023-04-21:10:48:27MDT * 3 * information * 0x291ba10_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:48:27MDT * 1 * information * 0x291ba10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:10:48:27MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x291ba10'.2023-04-21:10:48:27MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.