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: ----------------------- standardnumber of parameter sets:1Parameter values for parameter set 0:['8.9913', '1.8970894', '0.3631288', '0.023846623', '0.798467', '0.97434103', '0.59885859', '0.65603669', '0.98671067', '0.64366653', '0.81308352', '0.67610354', '0.59663361', '0.63376239', '0.39468933', '0.66476989', '0.21309401']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Au', 'Au', 'Au', 'Au', 'Au']representative atom coordinates = [[0. 0. 0. ] [0.02384662 0.798467 0. ] [0.97434103 0.59885859 0. ] [0.65603669 0.98671067 0. ] [0.64366653 0.81308352 0. ] [0.67610354 0.59663361 0. ] [0.63376239 0.39468933 0. ] [0.66476989 0.21309401 0. ]]spacegroup = 58cell = [[8.9913, 0, 0], [0, 17.0573, 0], [0, 0, 3.265]]========================================= 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":5.08,"usertime":4.23,"systime":5.51,"memmax":248724,"memavg":0} output/kim.log: --------------- 2023-04-07:15:36:10MDT * 0 * information * 0x36a8210 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:10MDT * 1 * information * 0x36a8210 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-07:15:36:10MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36a8210'.2023-04-07:15:36:10MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:10MDT * 0 * information * 0x36a8210 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:10MDT * 0 * information * 0x36a8640 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:10MDT * 1 * information * 0x36a8640 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x36a8210_Collections'.2023-04-07:15:36:10MDT * 2 * information * 0x36a8210_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36a8640'.2023-04-07:15:36:10MDT * 3 * information * 0x36a8210_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:10MDT * 1 * information * 0x36a8210 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-07:15:36:10MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36a8210'.2023-04-07:15:36:10MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:10MDT * 0 * information * 0x36a8210 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:10MDT * 0 * information * 0x36a9990 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-07:15:36:10MDT * 1 * information * 0x36a9990 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x36a8210_Collections'.2023-04-07:15:36:10MDT * 2 * information * 0x36a8210_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36a9990'.2023-04-07:15:36:10MDT * 3 * information * 0x36a8210_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-07:15:36:10MDT * 1 * information * 0x36a8210 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-07:15:36:10MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36a8210'.2023-04-07:15:36:10MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.