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', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['10.8451', '0.3703147', '0.75421158', '0.082272996', '0.11911481', '0.2960876', '0.78786714', '0.0414814', '0.78580356', '0.33887903', '0.45906783', '0.069998985', '0.4296433', '0.31584445', '0.11759371']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd']representative atom coordinates = [[0.082273 0.25 0.11911481] [0.2960876 0.25 0.78786714] [0.0414814 0.25 0.78580356] [0.33887903 0.25 0.45906783] [0.06999898 0.25 0.4296433 ] [0.31584445 0.25 0.11759371]]spacegroup = 62cell = [[10.8451, 0, 0], [0, 4.0161, 0], [0, 0, 8.1795]]========================================= 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":19.79,"usertime":30.37,"systime":32.27,"memmax":112752,"memavg":0} output/kim.log: --------------- 2023-04-10:12:51:22CDT * 0 * information * 0x2c7c2b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:12:51:22CDT * 1 * information * 0x2c7c2b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-10:12:51:22CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c7c2b0'.2023-04-10:12:51:22CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:12:51:22CDT * 0 * information * 0x2c7c2b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:12:51:22CDT * 0 * information * 0x2c7c9b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:12:51:22CDT * 1 * information * 0x2c7c9b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2c7c2b0_Collections'.2023-04-10:12:51:22CDT * 2 * information * 0x2c7c2b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c7c9b0'.2023-04-10:12:51:22CDT * 3 * information * 0x2c7c2b0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:12:51:22CDT * 1 * information * 0x2c7c2b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:12:51:22CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c7c2b0'.2023-04-10:12:51:22CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:12:51:22CDT * 0 * information * 0x2c7c2b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:12:51:22CDT * 0 * information * 0x2c7e2b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:12:51:22CDT * 1 * information * 0x2c7e2b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2c7c2b0_Collections'.2023-04-10:12:51:22CDT * 2 * information * 0x2c7c2b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c7e2b0'.2023-04-10:12:51:22CDT * 3 * information * 0x2c7c2b0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:12:51:22CDT * 1 * information * 0x2c7c2b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:12:51:22CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2c7c2b0'.2023-04-10:12:51:22CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.