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:['13.016', '0.68880608', '0.96685618', '155.2883', '0.94099368', '0.2181421', '0.61114952', '0.83636757', '0.69727337', '0.12808693', '0.69047253', '0.75823917', '0.29922667', '0.80218003', '0.43386708', '0.22109776', '0.5049619', '0.85237716', '0.86276314', '0.69370626', '0.42020858']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 = [[0.83612385 0.58636757 0.47497433] [0.88015224 0.94047253 0.50206531] [0. 0.69099368 0.25 ] [0. 0.9681421 0.25 ] [0.88464041 0.55218003 0.83541374] [0.3812794 0.2549619 0.41018164] [0.80744544 0.94370626 0.6946823 ]]spacegroup = 15cell = [[14.4119, 0, 0], [0, 8.9655, 0], [-2.7587433929467, 0, 4.7514910693247]]========================================= 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":4.40,"usertime":4.16,"systime":10.32,"memmax":237788,"memavg":0} output/kim.log: --------------- 2023-11-17:13:57:22MST * 0 * information * 0x1f60e20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:57:22MST * 1 * information * 0x1f60e20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:13:57:22MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f60e20'.2023-11-17:13:57:22MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:57:22MST * 0 * information * 0x1f60e20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:57:22MST * 0 * information * 0x1f612b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:57:22MST * 1 * information * 0x1f612b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1f60e20_Collections'.2023-11-17:13:57:22MST * 2 * information * 0x1f60e20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f612b0'.2023-11-17:13:57:22MST * 3 * information * 0x1f60e20_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:57:22MST * 1 * information * 0x1f60e20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:57:22MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f60e20'.2023-11-17:13:57:22MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:57:22MST * 0 * information * 0x1f60e20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:57:22MST * 0 * information * 0x1f624a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:57:22MST * 1 * information * 0x1f624a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1f60e20_Collections'.2023-11-17:13:57:22MST * 2 * information * 0x1f60e20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f624a0'.2023-11-17:13:57:22MST * 3 * information * 0x1f60e20_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:57:22MST * 1 * information * 0x1f60e20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:57:22MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1f60e20'.2023-11-17:13:57:22MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.