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', 'z2', 'x3', 'y4', 'z4', 'y5', 'z5', 'x6', 'y6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['7.8543', '3.5067033', '0.93502464', '0.30773432', '0.5352604', '0.60301947', '0.046512373', '0.94304335', '0.3287433', '0.031106113', '0.41853463']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'Si', 'Si']representative atom coordinates = [[0. 0.25 0.125 ] [0. 0. 0.06002464] [0. 0.2852604 0.72801947] [0.3287433 0.78110611 0.54353463] [0.30773432 0.30773432 0. ] [0. 0.79651237 0.06804335]]spacegroup = 141cell = [[7.8543, 0, 0], [0, 7.8543, 0], [0, 0, 27.5427]]========================================= 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":35.13,"usertime":48.44,"systime":51.69,"memmax":282272,"memavg":0} output/kim.log: --------------- 2023-04-05:12:17:11CDT * 0 * information * 0x2729be0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:12:17:11CDT * 1 * information * 0x2729be0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-05:12:17:11CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2729be0'.2023-04-05:12:17:11CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:12:17:11CDT * 0 * information * 0x2729be0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:12:17:11CDT * 0 * information * 0x272a2e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:12:17:11CDT * 1 * information * 0x272a2e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2729be0_Collections'.2023-04-05:12:17:11CDT * 2 * information * 0x2729be0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x272a2e0'.2023-04-05:12:17:11CDT * 3 * information * 0x2729be0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:12:17:11CDT * 1 * information * 0x2729be0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:12:17:11CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2729be0'.2023-04-05:12:17:11CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:12:17:11CDT * 0 * information * 0x2729be0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:12:17:11CDT * 0 * information * 0x272bb00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:12:17:11CDT * 1 * information * 0x272bb00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2729be0_Collections'.2023-04-05:12:17:11CDT * 2 * information * 0x2729be0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x272bb00'.2023-04-05:12:17:11CDT * 3 * information * 0x2729be0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:12:17:11CDT * 1 * information * 0x2729be0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:12:17:11CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2729be0'.2023-04-05:12:17:11CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.