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_cI72_199_2bc_cParameter names:['a', 'x1', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['10.1728', '0.58143307', '0.82403591', '0.00554944', '0.90046439', '0.11216416', '0.86610193', '0.98215625', '0.096318836']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'Si']representative atom coordinates = [[0.58143307 0. 0.25 ] [0.82403591 0. 0.25 ] [0.50554944 0.40046439 0.61216416] [0.86610193 0.98215625 0.09631884]]spacegroup = 199cell = [[10.1728, 0, 0], [0, 10.1728, 0], [0, 0, 10.1728]]========================================= 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":10.09,"usertime":12.11,"systime":18.37,"memmax":262128,"memavg":0} output/kim.log: --------------- 2023-04-03:15:57:50MDT * 0 * information * 0x220a8f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:15:57:50MDT * 1 * information * 0x220a8f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-03:15:57:50MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x220a8f0'.2023-04-03:15:57:50MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:15:57:50MDT * 0 * information * 0x220a8f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:15:57:50MDT * 0 * information * 0x220ade0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:15:57:50MDT * 1 * information * 0x220ade0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x220a8f0_Collections'.2023-04-03:15:57:50MDT * 2 * information * 0x220a8f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x220ade0'.2023-04-03:15:57:50MDT * 3 * information * 0x220a8f0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:15:57:50MDT * 1 * information * 0x220a8f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:15:57:50MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x220a8f0'.2023-04-03:15:57:50MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:15:57:50MDT * 0 * information * 0x220a8f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:15:57:50MDT * 0 * information * 0x220bf10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:15:57:50MDT * 1 * information * 0x220bf10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x220a8f0_Collections'.2023-04-03:15:57:50MDT * 2 * information * 0x220a8f0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x220bf10'.2023-04-03:15:57:50MDT * 3 * information * 0x220a8f0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:15:57:50MDT * 1 * information * 0x220a8f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:15:57:50MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x220a8f0'.2023-04-03:15:57:50MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.