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', 'c/a', 'z3', 'z4', 'z5', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['4.1124', '2.6878951', '0.22831489', '0.33657854', '0.10567094', '0.59254441']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Pt', 'Pt']representative atom coordinates = [[0. 0. 0. ] [0. 0. 0.5 ] [0. 0. 0.22831489] [0.33333333 0.66666667 0.66342146] [0.33333333 0.66666667 0.89432906] [0.33333333 0.66666667 0.40745559]]spacegroup = 164cell = [[4.1124, 0, 0], [-2.0562, 3.5614428705231, 0], [0, 0, 11.0537]]========================================= 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":3.87,"usertime":3.80,"systime":9.77,"memmax":145304,"memavg":0} output/kim.log: --------------- 2023-09-18:12:04:21MDT * 0 * information * 0x3295810 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:21MDT * 1 * information * 0x3295810 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-18:12:04:21MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3295810'.2023-09-18:12:04:21MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:21MDT * 0 * information * 0x3295810 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:21MDT * 0 * information * 0x3295d00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:21MDT * 1 * information * 0x3295d00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3295810_Collections'.2023-09-18:12:04:21MDT * 2 * information * 0x3295810_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3295d00'.2023-09-18:12:04:21MDT * 3 * information * 0x3295810_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:21MDT * 1 * information * 0x3295810 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:12:04:21MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3295810'.2023-09-18:12:04:21MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:21MDT * 0 * information * 0x3295810 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:21MDT * 0 * information * 0x3296f20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:21MDT * 1 * information * 0x3296f20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3295810_Collections'.2023-09-18:12:04:21MDT * 2 * information * 0x3295810_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3296f20'.2023-09-18:12:04:21MDT * 3 * information * 0x3295810_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:21MDT * 1 * information * 0x3295810 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:12:04:21MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3295810'.2023-09-18:12:04:21MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.