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. 0.14284678] [0. 0. 0.42856204] [0. 0. 0.28570317] [0.33333333 0.66666667 0.66665864] [0.33333333 0.66666667 0.80948712] [0.33333333 0.66666667 0.476198 ] [0.33333333 0.66666667 0.09520024] [0.33333333 0.66666667 0.9047721 ] [0.33333333 0.66666667 0.19048242] [0.33333333 0.66666667 0.38091508] [0.66666667 0.33333333 0.33333903] [0.66666667 0.33333333 0.2380573 ] [0.66666667 0.33333333 0.04762548] [0.66666667 0.33333333 0.52377299] [0.66666667 0.33333333 0.61905942] [0.66666667 0.33333333 0.76189207] [0.66666667 0.33333333 0.95234763]]spacegroup = 156cell = [[3.0948, 0, 0], [-1.5474, 2.6801754196321, 0], [0, 0, 53.1375]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 500, 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":42.70,"usertime":51.50,"systime":39.25,"memmax":208756,"memavg":0} output/kim.log: --------------- 2023-04-17:12:42:11CDT * 0 * information * 0x3855280 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:42:11CDT * 1 * information * 0x3855280 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-17:12:42:11CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3855280'.2023-04-17:12:42:11CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:42:11CDT * 0 * information * 0x3855280 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:42:11CDT * 0 * information * 0x3855b70 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:42:11CDT * 1 * information * 0x3855b70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3855280_Collections'.2023-04-17:12:42:11CDT * 2 * information * 0x3855280_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3855b70'.2023-04-17:12:42:11CDT * 3 * information * 0x3855280_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:42:11CDT * 1 * information * 0x3855280 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:12:42:11CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3855280'.2023-04-17:12:42:11CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:42:11CDT * 0 * information * 0x3855280 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:42:11CDT * 0 * information * 0x3857390 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-17:12:42:11CDT * 1 * information * 0x3857390 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3855280_Collections'.2023-04-17:12:42:11CDT * 2 * information * 0x3855280_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3857390'.2023-04-17:12:42:11CDT * 3 * information * 0x3855280_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-17:12:42:11CDT * 1 * information * 0x3855280 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-17:12:42:11CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3855280'.2023-04-17:12:42:12CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.