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: ----------------------- A_tP48_134_2m2nParameter names:['a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['8.6368', '0.58008753', '0.62458439', '0.13261251', '0.49453239', '0.66973562', '0.57898652', '0.83369612', '0.65429097', '0.47700353', '0.83295245', '0.34095524']model name:Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000==== Building ASE atoms object with: ====representative atom symbols = ['B', 'B', 'B', 'B']representative atom coordinates = [[0.87458439 0.87458439 0.38261251] [0.74453239 0.74453239 0.91973562] [0.32898652 0.08369612 0.40429097] [0.22700353 0.08295245 0.09095524]]spacegroup = 134cell = [[8.6368, 0, 0], [0, 8.6368, 0], [0, 0, 5.0101]]========================================= 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":34.74,"usertime":40.51,"systime":49.69,"memmax":220744,"memavg":0} output/kim.log: --------------- 2023-05-08:15:02:38CDT * 0 * information * 0x3b20ad0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:15:02:38CDT * 1 * information * 0x3b20ad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:15:02:38CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b20ad0'.2023-05-08:15:02:38CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:15:02:38CDT * 0 * information * 0x3b20ad0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:15:02:38CDT * 0 * information * 0x3b223a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:15:02:38CDT * 1 * information * 0x3b223a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b20ad0_Collections'.2023-05-08:15:02:38CDT * 2 * information * 0x3b20ad0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b223a0'.2023-05-08:15:02:38CDT * 3 * information * 0x3b20ad0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:15:02:38CDT * 1 * information * 0x3b20ad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:15:02:38CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b20ad0'.2023-05-08:15:02:38CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:15:02:38CDT * 0 * information * 0x3b20ad0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:15:02:38CDT * 0 * information * 0x3b213a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:15:02:38CDT * 1 * information * 0x3b213a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b20ad0_Collections'.2023-05-08:15:02:38CDT * 2 * information * 0x3b20ad0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b213a0'.2023-05-08:15:02:38CDT * 3 * information * 0x3b20ad0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:15:02:38CDT * 1 * information * 0x3b20ad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:15:02:38CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b20ad0'.2023-05-08:15:02:38CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.