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', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'P', 'P']representative atom coordinates = [[0.94803214 0.25 0.25653964] [0.30506632 0.25 0.71501351] [0.94235689 0.89946078 0.77107205] [0.80454745 0.89838558 0.25028501] [0.94985365 0.25 0.05659788] [0.30371721 0.25 0.91515041] [0.07677267 0.84389835 0.68199442] [0.94819972 0.88940683 0.96902224] [0.89436532 0.90278223 0.72977123] [0.96232311 0.99995531 0.71075636] [0.67039606 0.65595159 0.34728072] [0.79931974 0.88447946 0.05256951] [0.85243325 0.90314928 0.29274053] [0.78411506 0.99934915 0.30476316] [0.02327382 0.25 0.39533155] [0.22948109 0.25 0.579247 ]]spacegroup = 62cell = [[22.4019, 0, 0], [0, 9.4426, 0], [0, 0, 5.4977]]========================================= 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":7.84,"usertime":6.35,"systime":9.22,"memmax":362180,"memavg":0} output/kim.log: --------------- 2023-11-17:13:46:50MST * 0 * information * 0x20eca80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:46:50MST * 1 * information * 0x20eca80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:13:46:50MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20eca80'.2023-11-17:13:46:50MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:46:50MST * 0 * information * 0x20eca80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:46:50MST * 0 * information * 0x20ed180 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:46:50MST * 1 * information * 0x20ed180 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x20eca80_Collections'.2023-11-17:13:46:50MST * 2 * information * 0x20eca80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20ed180'.2023-11-17:13:46:50MST * 3 * information * 0x20eca80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:46:50MST * 1 * information * 0x20eca80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:46:50MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20eca80'.2023-11-17:13:46:50MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:46:50MST * 0 * information * 0x20eca80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:46:50MST * 0 * information * 0x20ee290 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:46:50MST * 1 * information * 0x20ee290 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x20eca80_Collections'.2023-11-17:13:46:50MST * 2 * information * 0x20eca80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20ee290'.2023-11-17:13:46:50MST * 3 * information * 0x20eca80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:46:50MST * 1 * information * 0x20eca80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:46:50MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x20eca80'.2023-11-17:13:46:51MST * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.