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: ----------------------- Parameter names:['a', 'b/a', 'c/a', 'x2', 'x3', 'y4', 'x5', 'y5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['8.2508', '1.1477432', '0.54880739', '0.53383947', '0.39942263', '0.38668341', '0.4158417', '0.34881125', '0.45181576']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.25 0.25 0.25 ] [0.28383947 0. 0. ] [0.14942263 0. 0.5 ] [0. 0.13668341 0. ] [0.1658417 0.09881125 0.20181576]]spacegroup = 48cell = [[8.2508, 0, 0], [0, 9.4698, 0], [0, 0, 4.5281]]========================================= 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":11.42,"usertime":10.50,"systime":9.24,"memmax":173872,"memavg":0} output/kim.log: --------------- 2023-09-18:11:29:23MDT * 0 * information * 0x324a920 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:23MDT * 1 * information * 0x324a920 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-18:11:29:23MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x324a920'.2023-09-18:11:29:23MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:23MDT * 0 * information * 0x324a920 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:23MDT * 0 * information * 0x324ad50 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:23MDT * 1 * information * 0x324ad50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x324a920_Collections'.2023-09-18:11:29:23MDT * 2 * information * 0x324a920_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x324ad50'.2023-09-18:11:29:23MDT * 3 * information * 0x324a920_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:23MDT * 1 * information * 0x324a920 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:29:23MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x324a920'.2023-09-18:11:29:23MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:23MDT * 0 * information * 0x324a920 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:23MDT * 0 * information * 0x324be10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:23MDT * 1 * information * 0x324be10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x324a920_Collections'.2023-09-18:11:29:23MDT * 2 * information * 0x324a920_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x324be10'.2023-09-18:11:29:23MDT * 3 * information * 0x324a920_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:23MDT * 1 * information * 0x324a920 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:29:23MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x324a920'.2023-09-18:11:29:23MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.