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: ----------------------- [0.67116809 0.15839381 0.4928502 ] [0.66390681 0.16798584 0.99661955] [0.82912015 0.32929457 0.74271748] [0.33333333 0.66666667 0.24743282] [0. 0. 0.49370343] [0.81910496 0.88990135 0.22273078] [0.81986138 0.88835064 0.76498404] [0.22224997 0.73578034 0.97573891] [0.22281471 0.73699224 0.51877947] [0.95764046 0.40923624 0.2515668 ] [0.93855618 0.40086366 0.73951792] [0.87133979 0.60564062 0.00156898] [0.88099397 0.62268047 0.48968901] [0.33333333 0.66666667 0.46769015] [0.33333333 0.66666667 0.02742656] [0. 0. 0.27383318] [0. 0. 0.71355184]]spacegroup = 143cell = [[10.1079, 0, 0], [-5.05395, 8.7536981789127, 0], [0, 0, 7.5475]]========================================= 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":5.56,"usertime":6.58,"systime":16.53,"memmax":207024,"memavg":0} output/kim.log: --------------- 2023-11-17:14:04:58MST * 0 * information * 0x29c3f80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 1 * information * 0x29c3f80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:14:04:58MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29c3f80'.2023-11-17:14:04:58MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 0 * information * 0x29c3f80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 0 * information * 0x29c4440 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 1 * information * 0x29c4440 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x29c3f80_Collections'.2023-11-17:14:04:58MST * 2 * information * 0x29c3f80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29c4440'.2023-11-17:14:04:58MST * 3 * information * 0x29c3f80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 1 * information * 0x29c3f80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:04:58MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29c3f80'.2023-11-17:14:04:58MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 0 * information * 0x29c3f80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 0 * information * 0x29c5580 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:04:58MST * 1 * information * 0x29c5580 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x29c3f80_Collections'.2023-11-17:14:04:58MST * 2 * information * 0x29c3f80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29c5580'.2023-11-17:14:04:58MST * 3 * information * 0x29c3f80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:04:58MST * 1 * information * 0x29c3f80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:04:58MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29c3f80'.2023-11-17:14:04:58MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.