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: ----------------------- AB2_tP12_92_a_bParameter names:['a', 'c/a', 'x1', 'x2', 'y2', 'z2']model type (only 'standard' supported at this time):standardnumber of parameter sets:2Parameter values for parameter set 0:['5.1644', '1.4289559', '0.49132064', '0.17038813', '0.15143763', '0.25406626']Parameter values for parameter set 1:['5.179', '1.4901332', '0.49144467', '0.16922066', '0.15163767', '0.25258432']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'O']representative atom coordinates = [[0.49132064 0.49132064 0. ] [0.17038813 0.15143763 0.25406626]]spacegroup = 92cell = [[5.1644, 0, 0], [0, 5.1644, 0], [0, 0, 7.3797]]========================================= 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":3.14,"usertime":3.86,"systime":15.96,"memmax":148972,"memavg":0} output/kim.log: --------------- 2023-09-22:13:47:49MDT * 0 * information * 0x212a670 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:47:49MDT * 1 * information * 0x212a670 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-22:13:47:49MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x212a670'.2023-09-22:13:47:49MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:47:49MDT * 0 * information * 0x212a670 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:47:49MDT * 0 * information * 0x212ab90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:47:49MDT * 1 * information * 0x212ab90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x212a670_Collections'.2023-09-22:13:47:49MDT * 2 * information * 0x212a670_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x212ab90'.2023-09-22:13:47:49MDT * 3 * information * 0x212a670_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:47:49MDT * 1 * information * 0x212a670 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-22:13:47:49MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x212a670'.2023-09-22:13:47:49MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:47:49MDT * 0 * information * 0x212a670 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:47:49MDT * 0 * information * 0x212bce0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-22:13:47:49MDT * 1 * information * 0x212bce0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x212a670_Collections'.2023-09-22:13:47:49MDT * 2 * information * 0x212a670_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x212bce0'.2023-09-22:13:47:49MDT * 3 * information * 0x212a670_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-22:13:47:49MDT * 1 * information * 0x212a670 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-22:13:47:49MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x212a670'.2023-09-22:13:47:49MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.