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:['8.7121', '0.12027485', '0.8306729', '0.32467611', '0.60540785', '0.35587781', '0.85443377', '0.80973715', '0.53486432', '0.3160954', '0.030944113']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']representative atom coordinates = [[0.12027485 0.12027485 0.12027485] [0.80973715 0.80973715 0.53486432] [0.8306729 0.8306729 0.8306729 ] [0.32467611 0.32467611 0.32467611] [0.60540785 0.60540785 0.60540785] [0.35587781 0. 0. ] [0.85443377 0.5 0.5 ] [0.3160954 0.3160954 0.03094411]]spacegroup = 215cell = [[8.7121, 0, 0], [0, 8.7121, 0], [0, 0, 8.7121]]========================================= 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":5.03,"usertime":6.47,"systime":15.44,"memmax":127000,"memavg":0} output/kim.log: --------------- 2023-04-06:15:38:04MDT * 0 * information * 0x37bf120 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:38:04MDT * 1 * information * 0x37bf120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-06:15:38:04MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x37bf120'.2023-04-06:15:38:04MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:38:04MDT * 0 * information * 0x37bf120 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:38:04MDT * 0 * information * 0x37bf5e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:38:04MDT * 1 * information * 0x37bf5e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x37bf120_Collections'.2023-04-06:15:38:04MDT * 2 * information * 0x37bf120_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x37bf5e0'.2023-04-06:15:38:04MDT * 3 * information * 0x37bf120_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:38:04MDT * 1 * information * 0x37bf120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-06:15:38:04MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x37bf120'.2023-04-06:15:38:04MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:38:04MDT * 0 * information * 0x37bf120 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:38:04MDT * 0 * information * 0x37c0930 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-06:15:38:04MDT * 1 * information * 0x37c0930 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x37bf120_Collections'.2023-04-06:15:38:04MDT * 2 * information * 0x37bf120_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x37c0930'.2023-04-06:15:38:04MDT * 3 * information * 0x37bf120_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-06:15:38:04MDT * 1 * information * 0x37bf120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-06:15:38:04MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x37bf120'.2023-04-06:15:38:04MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.