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: ----------------------- ['N']AFLOW prototype label:A_cP8_198_2aParameter names:['a', 'x1', 'x2']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.9467', '0.062777283', '0.95474']model name:Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000==== Building ASE atoms object with: ====representative atom symbols = ['N', 'N']representative atom coordinates = [[0.06277728 0.06277728 0.06277728] [0.95474 0.95474 0.95474 ]]spacegroup = 198cell = [[5.9467, 0, 0], [0, 5.9467, 0], [0, 0, 5.9467]]========================================= 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":3.60,"usertime":4.22,"systime":12.56,"memmax":125596,"memavg":0} output/kim.log: --------------- 2023-05-01:15:17:50MDT * 0 * information * 0x33c8250 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:15:17:50MDT * 1 * information * 0x33c8250 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-01:15:17:50MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33c8250'.2023-05-01:15:17:50MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:15:17:50MDT * 0 * information * 0x33c8250 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:15:17:50MDT * 0 * information * 0x33c9800 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:15:17:50MDT * 1 * information * 0x33c9800 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x33c8250_Collections'.2023-05-01:15:17:50MDT * 2 * information * 0x33c8250_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33c9800'.2023-05-01:15:17:50MDT * 3 * information * 0x33c8250_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:15:17:50MDT * 1 * information * 0x33c8250 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-01:15:17:50MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33c8250'.2023-05-01:15:17:50MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:15:17:50MDT * 0 * information * 0x33c8250 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:15:17:50MDT * 0 * information * 0x33c88d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:15:17:50MDT * 1 * information * 0x33c88d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x33c8250_Collections'.2023-05-01:15:17:50MDT * 2 * information * 0x33c8250_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33c88d0'.2023-05-01:15:17:50MDT * 3 * information * 0x33c8250_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:15:17:50MDT * 1 * information * 0x33c8250 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-01:15:17:50MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33c8250'.2023-05-01:15:17:50MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.