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: ----------------------- 1Parameter values for parameter set 0:['3.0941801', '12.271996', '3.542872e-05', '0.13337495', '0.3998564', '0.59988099', '0.86665943', '0.050012085', '0.18339693', '0.44999402', '0.65002301', '0.91667619']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0.0000000e+00 0.0000000e+00 3.5428720e-05] [0.0000000e+00 0.0000000e+00 1.3337495e-01] [0.0000000e+00 0.0000000e+00 3.9985640e-01] [0.0000000e+00 0.0000000e+00 5.9988099e-01] [0.0000000e+00 0.0000000e+00 8.6665943e-01] [0.0000000e+00 0.0000000e+00 5.0012085e-02] [0.0000000e+00 0.0000000e+00 1.8339693e-01] [0.0000000e+00 0.0000000e+00 4.4999402e-01] [0.0000000e+00 0.0000000e+00 6.5002301e-01] [0.0000000e+00 0.0000000e+00 9.1667619e-01]]spacegroup = 160cell = [[3.0942, 0, 0], [-1.5471, 2.6796558043898, 0], [0, 0, 37.9718]]========================================= 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":9.74,"usertime":2.47,"systime":4.82,"memmax":186960,"memavg":0} output/kim.log: --------------- 2023-04-24:11:27:13MDT * 0 * information * 0x2847bc0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:27:13MDT * 1 * information * 0x2847bc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-24:11:27:13MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2847bc0'.2023-04-24:11:27:13MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:27:13MDT * 0 * information * 0x2847bc0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:27:13MDT * 0 * information * 0x2848020 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:27:13MDT * 1 * information * 0x2848020 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2847bc0_Collections'.2023-04-24:11:27:13MDT * 2 * information * 0x2847bc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2848020'.2023-04-24:11:27:13MDT * 3 * information * 0x2847bc0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:27:13MDT * 1 * information * 0x2847bc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:11:27:13MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2847bc0'.2023-04-24:11:27:13MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:27:13MDT * 0 * information * 0x2847bc0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:27:13MDT * 0 * information * 0x2849370 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:11:27:13MDT * 1 * information * 0x2849370 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2847bc0_Collections'.2023-04-24:11:27:13MDT * 2 * information * 0x2847bc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2849370'.2023-04-24:11:27:13MDT * 3 * information * 0x2847bc0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:11:27:13MDT * 1 * information * 0x2847bc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:11:27:13MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2847bc0'.2023-04-24:11:27:13MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.