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: ----------------------- number of parameter sets:1Parameter values for parameter set 0:['4.2103', '5.1762582', '0.80814108', '0.3941704', '0.41104288', '0.79303978', '0.6991202', '0.90098577']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Ca', 'Ca', 'Ca', 'Si', 'Si', 'Si']representative atom coordinates = [[0. 0. 0. ] [0. 0. 0.80814108] [0.33333333 0.66666667 0.41104288] [0.66666667 0.33333333 0.5 ] [0.66666667 0.33333333 0.6991202 ] [0.66666667 0.33333333 0.90098577] [0.33333333 0.66666667 0. ] [0. 0. 0.3941704 ] [0.33333333 0.66666667 0.79303978]]spacegroup = 187cell = [[4.2103, 0, 0], [-2.10515, 3.6462267575536, 0], [0, 0, 21.7936]]========================================= 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":4.35,"usertime":5.74,"systime":14.60,"memmax":159536,"memavg":0} output/kim.log: --------------- 2023-11-27:11:13:33MST * 0 * information * 0x1ea11b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:13:33MST * 1 * information * 0x1ea11b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-27:11:13:33MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ea11b0'.2023-11-27:11:13:33MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:13:33MST * 0 * information * 0x1ea11b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:13:33MST * 0 * information * 0x1ea1610 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:13:33MST * 1 * information * 0x1ea1610 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1ea11b0_Collections'.2023-11-27:11:13:33MST * 2 * information * 0x1ea11b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ea1610'.2023-11-27:11:13:33MST * 3 * information * 0x1ea11b0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:13:33MST * 1 * information * 0x1ea11b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:13:33MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ea11b0'.2023-11-27:11:13:33MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:13:33MST * 0 * information * 0x1ea11b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:13:33MST * 0 * information * 0x1efb120 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:13:33MST * 1 * information * 0x1efb120 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1ea11b0_Collections'.2023-11-27:11:13:33MST * 2 * information * 0x1ea11b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1efb120'.2023-11-27:11:13:33MST * 3 * information * 0x1ea11b0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:13:33MST * 1 * information * 0x1ea11b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:13:33MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ea11b0'.2023-11-27:11:13:34MST * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.