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: ----------------------- Parameter names:['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['11.9225', '0.24655903', '0.99797022', '152.4512', '0.29419729', '0.20388809', '0.65906542', '0.3169181', '0.051302439', '0.89070315', '0.23811337', '0.74311365', '0.3937345', '0.5672471']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'O', 'O', 'O']representative atom coordinates = [[0.29419729 0. 0.20388809] [0.65906542 0. 0.3169181 ] [0.05130244 0. 0.89070315] [0.23811337 0. 0.74311365] [0.3937345 0. 0.5672471 ]]spacegroup = 12cell = [[11.9225, 0, 0], [0, 2.9396, 0], [-10.54923779549, 0, 5.5030105237228]]========================================= 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":3.99,"usertime":3.33,"systime":7.88,"memmax":135544,"memavg":0} output/kim.log: --------------- 2023-04-03:14:49:44MDT * 0 * information * 0x2fe58a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:49:44MDT * 1 * information * 0x2fe58a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-03:14:49:44MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2fe58a0'.2023-04-03:14:49:44MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:49:44MDT * 0 * information * 0x2fe58a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:49:44MDT * 0 * information * 0x2fe5d00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:49:44MDT * 1 * information * 0x2fe5d00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2fe58a0_Collections'.2023-04-03:14:49:44MDT * 2 * information * 0x2fe58a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2fe5d00'.2023-04-03:14:49:44MDT * 3 * information * 0x2fe58a0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:49:44MDT * 1 * information * 0x2fe58a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:49:44MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2fe58a0'.2023-04-03:14:49:44MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:49:44MDT * 0 * information * 0x2fe58a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:49:44MDT * 0 * information * 0x2fe7050 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:49:44MDT * 1 * information * 0x2fe7050 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2fe58a0_Collections'.2023-04-03:14:49:44MDT * 2 * information * 0x2fe58a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2fe7050'.2023-04-03:14:49:44MDT * 3 * information * 0x2fe58a0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:49:44MDT * 1 * information * 0x2fe58a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:49:44MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2fe58a0'.2023-04-03:14:49:44MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.