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. 0. 0.20460032] [0. 0. 0.90148741] [0. 0. 0.59842666] [0. 0. 0.29547118] [0. 0. 0.65902784] [0. 0. 0.0227794 ] [0. 0. 0.63632199] [0. 0. 0.27268234] [0. 0. 0.57569827] [0. 0. 0.87878814] [0. 0. 0.18181002] [0. 0. 0.81812289] [0. 0. 0.45452238] [0. 0. 0.09086449] [0. 0. 0.3938832 ] [0. 0. 0.69697081] [0. 0. 0.99995706]]spacegroup = 160cell = [[3.0944, 0, 0], [-1.5472, 2.6798290094706, 0], [0, 0, 83.5057]]========================================= 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":4.48,"usertime":5.04,"systime":11.69,"memmax":363236,"memavg":0} output/kim.log: --------------- 2023-09-25:16:03:02MDT * 0 * information * 0x1db8ec0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:16:03:02MDT * 1 * information * 0x1db8ec0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-25:16:03:02MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1db8ec0'.2023-09-25:16:03:02MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:16:03:02MDT * 0 * information * 0x1db8ec0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:16:03:02MDT * 0 * information * 0x1db92f0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:16:03:02MDT * 1 * information * 0x1db92f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1db8ec0_Collections'.2023-09-25:16:03:02MDT * 2 * information * 0x1db8ec0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1db92f0'.2023-09-25:16:03:02MDT * 3 * information * 0x1db8ec0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:16:03:02MDT * 1 * information * 0x1db8ec0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-25:16:03:02MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1db8ec0'.2023-09-25:16:03:02MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:16:03:02MDT * 0 * information * 0x1db8ec0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:16:03:02MDT * 0 * information * 0x1dba390 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:16:03:02MDT * 1 * information * 0x1dba390 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1db8ec0_Collections'.2023-09-25:16:03:02MDT * 2 * information * 0x1db8ec0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1dba390'.2023-09-25:16:03:02MDT * 3 * information * 0x1db8ec0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:16:03:02MDT * 1 * information * 0x1db8ec0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-25:16:03:02MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1db8ec0'.2023-09-25:16:03:02MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.