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 = ['Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O']representative atom coordinates = [[0. 0.29890126 0.44063305] [0. 0.99901188 0.46256069] [0.35678445 0.14592765 0.5086106 ] [0.74447962 0.90181924 0.47598591] [0. 0.52500494 0.24155641] [0.15856877 0.10592673 0.24963754] [0.35820481 0.31764976 0.1988807 ] [0. 0.62660688 0.56733523] [0. 0.14578739 0.38760331] [0. 0.00683968 0.63125778] [0. 0.30004762 0.60948704] [0.28540962 0.27689081 0.57604278] [0.2737112 0.02535548 0.58470924] [0.87283408 0.93579295 0.38469031] [0.34038972 0.14887544 0.33982743] [0.62572893 0.86917156 0.37284874]]spacegroup = 36cell = [[11.3819, 0, 0], [0, 11.0818, 0], [0, 0, 10.3931]]========================================= 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":5.80,"usertime":6.17,"systime":11.87,"memmax":149188,"memavg":0} output/kim.log: --------------- 2023-11-17:14:04:59MST * 0 * information * 0x2257c80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:59MST * 1 * information * 0x2257c80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:14:04:59MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2257c80'.2023-11-17:14:04:59MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:59MST * 0 * information * 0x2257c80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:59MST * 0 * information * 0x2258110 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:59MST * 1 * information * 0x2258110 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2257c80_Collections'.2023-11-17:14:04:59MST * 2 * information * 0x2257c80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2258110'.2023-11-17:14:04:59MST * 3 * information * 0x2257c80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:59MST * 1 * information * 0x2257c80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:04:59MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2257c80'.2023-11-17:14:04:59MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:59MST * 0 * information * 0x2257c80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:59MST * 0 * information * 0x22592f0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:59MST * 1 * information * 0x22592f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2257c80_Collections'.2023-11-17:14:04:59MST * 2 * information * 0x2257c80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22592f0'.2023-11-17:14:04:59MST * 3 * information * 0x2257c80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:59MST * 1 * information * 0x2257c80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:04:59MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2257c80'.2023-11-17:14:04:59MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.