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_hR16_167_cfParameter names:['a', 'c/a', 'x1', 'x2', 'y2', 'z2']model type (only 'standard' supported at this time):standardnumber of parameter sets:2Parameter values for parameter set 0:['10.142266', '1.350768', '0.040610934', '0.22669274', '0.058986122', '0.54148134']Parameter values for parameter set 1:['9.8145673', '1.3690471', '0.95856322', '0.93964842', '0.77302193', '0.45675368']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. 0. 0.04061093] [0.95097267 0.73423873 0.27572007]]spacegroup = 167cell = [[10.1423, 0, 0], [-5.07115, 8.7834894528029, 0], [0, 0, 13.6998]]========================================= 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":27.08,"usertime":33.11,"systime":39.38,"memmax":237584,"memavg":0} output/kim.log: --------------- 2023-05-03:10:51:02CDT * 0 * information * 0x3f68200 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 1 * information * 0x3f68200 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-03:10:51:02CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f68200'.2023-05-03:10:51:02CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 0 * information * 0x3f68200 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 0 * information * 0x3f69ad0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 1 * information * 0x3f69ad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3f68200_Collections'.2023-05-03:10:51:02CDT * 2 * information * 0x3f68200_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f69ad0'.2023-05-03:10:51:02CDT * 3 * information * 0x3f68200_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 1 * information * 0x3f68200 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-03:10:51:02CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f68200'.2023-05-03:10:51:02CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 0 * information * 0x3f68200 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 0 * information * 0x3f68ad0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 1 * information * 0x3f68ad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3f68200_Collections'.2023-05-03:10:51:02CDT * 2 * information * 0x3f68200_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f68ad0'.2023-05-03:10:51:02CDT * 3 * information * 0x3f68200_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 1 * information * 0x3f68200 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-03:10:51:02CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f68200'.2023-05-03:10:51:03CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.