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: ----------------------- Parameter names:['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.0403', '1.1128306', '1.3731722', '0.85200534', '0.22879577', '0.33564542', '0.50803884', '0.67015317', '0.97939715', '0.15280966', '0.59256829', '0.79091291', '0.83940182', '0.71887849', '0.87435176']model name:Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000==== Building ASE atoms object with: ====representative atom symbols = ['B', 'B', 'B', 'B', 'B']representative atom coordinates = [[0.85200534 0.22879577 0. ] [0.33564542 0.50803884 0. ] [0.67015317 0.97939715 0. ] [0.15280966 0.59256829 0.79091291] [0.83940182 0.71887849 0.87435176]]spacegroup = 58cell = [[5.0403, 0, 0], [0, 5.609, 0], [0, 0, 6.9212]]========================================= 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":35.82,"usertime":40.72,"systime":36.09,"memmax":153388,"memavg":0} output/kim.log: --------------- 2023-05-08:14:52:43CDT * 0 * information * 0x3b33330 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:14:52:43CDT * 1 * information * 0x3b33330 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:14:52:43CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b33330'.2023-05-08:14:52:43CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:14:52:43CDT * 0 * information * 0x3b33330 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:14:52:43CDT * 0 * information * 0x3b34850 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:14:52:43CDT * 1 * information * 0x3b34850 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b33330_Collections'.2023-05-08:14:52:43CDT * 2 * information * 0x3b33330_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b34850'.2023-05-08:14:52:43CDT * 3 * information * 0x3b33330_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:14:52:43CDT * 1 * information * 0x3b33330 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:14:52:43CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b33330'.2023-05-08:14:52:43CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:14:52:43CDT * 0 * information * 0x3b33330 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:14:52:43CDT * 0 * information * 0x3b33a10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:14:52:43CDT * 1 * information * 0x3b33a10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b33330_Collections'.2023-05-08:14:52:43CDT * 2 * information * 0x3b33330_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b33a10'.2023-05-08:14:52:43CDT * 3 * information * 0x3b33330_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:14:52:43CDT * 1 * information * 0x3b33330 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:14:52:43CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b33330'.2023-05-08:14:52:43CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.