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_oC16_65_mnParameter names:['a', 'b/a', 'c/a', 'z1', 'y2', 'z2']model type (only 'standard' supported at this time):standardnumber of parameter sets:2Parameter values for parameter set 0:['4.883', '1.1391972', '0.87542494', '0.15709997', '0.85013575', '0.6807677']Parameter values for parameter set 1:['4.9133', '1.1162152', '1.3733336', '0.10134088', '0.12560938', '0.81864012']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C']representative atom coordinates = [[0.25 0.25 0.15709997] [0. 0.85013575 0.6807677 ]]spacegroup = 65cell = [[4.883, 0, 0], [0, 5.5627, 0], [0, 0, 4.2747]]========================================= 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":65.13,"usertime":70.41,"systime":33.28,"memmax":126944,"memavg":0} output/kim.log: --------------- 2023-05-08:19:28:40CDT * 0 * information * 0x23cbf70 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:19:28:40CDT * 1 * information * 0x23cbf70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:19:28:40CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23cbf70'.2023-05-08:19:28:40CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:19:28:40CDT * 0 * information * 0x23cbf70 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:19:28:40CDT * 0 * information * 0x23cc670 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:19:28:40CDT * 1 * information * 0x23cc670 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x23cbf70_Collections'.2023-05-08:19:28:40CDT * 2 * information * 0x23cbf70_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23cc670'.2023-05-08:19:28:40CDT * 3 * information * 0x23cbf70_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:19:28:40CDT * 1 * information * 0x23cbf70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:19:28:40CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23cbf70'.2023-05-08:19:28:40CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:19:28:40CDT * 0 * information * 0x23cbf70 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:19:28:40CDT * 0 * information * 0x23cdf70 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:19:28:40CDT * 1 * information * 0x23cdf70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x23cbf70_Collections'.2023-05-08:19:28:40CDT * 2 * information * 0x23cbf70_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23cdf70'.2023-05-08:19:28:40CDT * 3 * information * 0x23cbf70_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:19:28:40CDT * 1 * information * 0x23cbf70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:19:28:40CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23cbf70'.2023-05-08:19:28:40CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.