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: ----------------------- [0.7465419 0.78991647 0.99019169] [0.58109236 0.27203114 0.98848835] [0.25001061 0.80218774 0.1567423 ] [0.08187169 0.28801345 0.15577575] [0.7502916 0.72465419 0.17570378] [0.58125593 0.23776397 0.17769426] [0.07913383 0.77053897 0.24965915] [0.58559843 0.75533133 0.08298266] [0.43664557 0.25668885 0.08328284] [0.42203639 0.99926925 0.02824376] [0.92878865 0.0132275 0.19473675] [0.38331567 0.32397558 0.13874358] [0.50198881 0.69863408 0.13856061] [0.38216819 0.18877492 0.02795867] [0.49884693 0.81388649 0.02776732] [0.88262023 0.20211739 0.19469832] [0.00213933 0.82749302 0.19418797]]spacegroup = 19cell = [[5.0727, 0, 0], [0, 8.4587, 0], [0, 0, 26.8754]]========================================= 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":7.31,"usertime":8.08,"systime":15.68,"memmax":306156,"memavg":0} output/kim.log: --------------- 2023-09-18:11:29:20MDT * 0 * information * 0x292f740 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:20MDT * 1 * information * 0x292f740 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-18:11:29:20MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x292f740'.2023-09-18:11:29:20MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:20MDT * 0 * information * 0x292f740 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:20MDT * 0 * information * 0x292fba0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:20MDT * 1 * information * 0x292fba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x292f740_Collections'.2023-09-18:11:29:20MDT * 2 * information * 0x292f740_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x292fba0'.2023-09-18:11:29:20MDT * 3 * information * 0x292f740_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:20MDT * 1 * information * 0x292f740 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:29:20MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x292f740'.2023-09-18:11:29:20MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:20MDT * 0 * information * 0x292f740 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:20MDT * 0 * information * 0x2930bc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:11:29:20MDT * 1 * information * 0x2930bc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x292f740_Collections'.2023-09-18:11:29:20MDT * 2 * information * 0x292f740_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2930bc0'.2023-09-18:11:29:20MDT * 3 * information * 0x292f740_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:11:29:20MDT * 1 * information * 0x292f740 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:11:29:20MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x292f740'.2023-09-18:11:29:20MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.