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 coordinates = [[0. 0. 0. ] [0. 0.65655578 0.25 ] [0. 0.32862751 0.25 ] [0. 0.00590335 0.25 ] [0.51324547 0.16400252 0.49991782] [0.55595223 0.21841358 0.12515246] [0.39021712 0.83254601 0.12368101] [0.65833188 0.0146386 0.44748378] [0.85407498 0.14935818 0.19361046] [0.05163701 0.94244397 0.12615194] [0.19997621 0.82979904 0.44356669] [0.19155768 0.82768796 0.29804656] [0.6550778 0.01203915 0.30263252] [0.84794284 0.15435927 0.04810612] [0.29293445 0.96099019 0.12495313] [0.09285309 0.82957495 0.37212853] [0.79790293 0.20267044 0.12220287]]spacegroup = 15cell = [[6.9082, 0, 0], [0, 11.9882, 0], [0.22876416524703, 0, 19.789577806681]]========================================= 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":14.05,"usertime":9.72,"systime":16.05,"memmax":264676,"memavg":0} output/kim.log: --------------- 2023-11-27:10:48:47MST * 0 * information * 0x2661130 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:48:47MST * 1 * information * 0x2661130 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-27:10:48:47MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2661130'.2023-11-27:10:48:47MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:48:47MST * 0 * information * 0x2661130 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:48:47MST * 0 * information * 0x2661800 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:48:47MST * 1 * information * 0x2661800 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2661130_Collections'.2023-11-27:10:48:47MST * 2 * information * 0x2661130_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2661800'.2023-11-27:10:48:47MST * 3 * information * 0x2661130_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:48:47MST * 1 * information * 0x2661130 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:10:48:47MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2661130'.2023-11-27:10:48:47MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:48:47MST * 0 * information * 0x2661130 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:48:47MST * 0 * information * 0x2662870 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:10:48:47MST * 1 * information * 0x2662870 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2661130_Collections'.2023-11-27:10:48:47MST * 2 * information * 0x2661130_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2662870'.2023-11-27:10:48:47MST * 3 * information * 0x2661130_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:10:48:47MST * 1 * information * 0x2661130 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:10:48:47MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2661130'.2023-11-27:10:48:47MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.