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: ----------------------- representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0. 0. 0.17181941] [0. 0. 0.29680615] [0. 0. 0.42188013] [0.33333333 0.66666667 0.04697954] [0.33333333 0.66666667 0.60937979] [0.33333333 0.66666667 0.23447861] [0.33333333 0.66666667 0.85947992] [0.33333333 0.66666667 0.48431959] [0. 0. 0.12494433] [0. 0. 0.24997167] [0. 0. 0.3750065 ] [0.33333333 0.66666667 0.99998096] [0.33333333 0.66666667 0.56250518] [0.33333333 0.66666667 0.18748233] [0.33333333 0.66666667 0.81248069] [0.33333333 0.66666667 0.43744522]]spacegroup = 186cell = [[3.0942, 0, 0], [-1.5471, 2.6796558043898, 0], [0, 0, 40.4924]]========================================= 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":4.21,"usertime":5.54,"systime":16.88,"memmax":131200,"memavg":0} output/kim.log: --------------- 2023-09-25:15:32:34MDT * 0 * information * 0x3ea2410 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:15:32:34MDT * 1 * information * 0x3ea2410 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-25:15:32:34MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ea2410'.2023-09-25:15:32:34MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:15:32:34MDT * 0 * information * 0x3ea2410 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:15:32:34MDT * 0 * information * 0x3ea2ac0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:15:32:34MDT * 1 * information * 0x3ea2ac0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3ea2410_Collections'.2023-09-25:15:32:34MDT * 2 * information * 0x3ea2410_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ea2ac0'.2023-09-25:15:32:34MDT * 3 * information * 0x3ea2410_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:15:32:34MDT * 1 * information * 0x3ea2410 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-25:15:32:34MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ea2410'.2023-09-25:15:32:34MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:15:32:34MDT * 0 * information * 0x3ea2410 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:15:32:34MDT * 0 * information * 0x3ea3ce0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:15:32:34MDT * 1 * information * 0x3ea3ce0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3ea2410_Collections'.2023-09-25:15:32:34MDT * 2 * information * 0x3ea2410_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ea3ce0'.2023-09-25:15:32:34MDT * 3 * information * 0x3ea2410_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:15:32:34MDT * 1 * information * 0x3ea2410 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-25:15:32:34MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ea2410'.2023-09-25:15:32:34MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.