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: ----------------------- model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['7.1131', '0.53544868', '0.78888248', '101.1618', '0.87112371', '0.84730624', '0.88750945', '0.34501078', '0.42808559', '0.73183642', '0.69257092', '0.058315623', '0.69669848', '0.54402602', '0.074478595', '0.64303463', '0.07112235', '0.14159998']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Ca', 'O', 'O', 'O', 'O']representative atom coordinates = [[0.15269376 0.25 0.87112371] [0.65498922 0.25 0.88750945] [0.26816358 0.25 0.42808559] [0.94168438 0.25 0.69257092] [0.45597398 0.25 0.69669848] [0.35696537 0.25 0.07447859] [0.85840002 0.25 0.07112235]]spacegroup = 11cell = [[5.6114, 0, 0], [0, 3.8087, 0], [1.3769559595397, 0, 6.9785517047227]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, 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":4.26,"usertime":4.32,"systime":10.59,"memmax":153716,"memavg":0} output/kim.log: --------------- 2023-11-15:16:03:29MST * 0 * information * 0x1c0e120 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 1 * information * 0x1c0e120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-15:16:03:29MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1c0e120'.2023-11-15:16:03:29MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 0 * information * 0x1c0e120 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 0 * information * 0x1c0e640 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 1 * information * 0x1c0e640 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1c0e120_Collections'.2023-11-15:16:03:29MST * 2 * information * 0x1c0e120_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1c0e640'.2023-11-15:16:03:29MST * 3 * information * 0x1c0e120_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 1 * information * 0x1c0e120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:03:29MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1c0e120'.2023-11-15:16:03:29MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 0 * information * 0x1c0e120 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 0 * information * 0x1a665f0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 1 * information * 0x1a665f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1c0e120_Collections'.2023-11-15:16:03:29MST * 2 * information * 0x1c0e120_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1a665f0'.2023-11-15:16:03:29MST * 3 * information * 0x1c0e120_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 1 * information * 0x1c0e120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:03:29MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1c0e120'.2023-11-15:16:03:29MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.