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: ----------------------- model type (only 'standard' supported at this time):standardnumber of parameter sets:2Parameter values for parameter set 0:['8.8519', '0.55774466', '0.12129004', '0.14232422', '0.0042195408', '0.3254531', '0.079671614', '0.33606782', '0.6547272', '0.97830738', '0.33279554', '0.3386069']Parameter values for parameter set 1:['8.6218', '0.58752233', '0.62050686', '0.13377229', '0.50415651', '0.3341878', '0.57867604', '0.83218603', '0.65377966', '0.47734083', '0.83146523', '0.34300915']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. 0. 0. ] [0.37129004 0.37129004 0.39232422] [0.25421954 0.25421954 0.5754531 ] [0.82967161 0.58606782 0.4047272 ] [0.72830738 0.58279554 0.0886069 ]]spacegroup = 134cell = [[8.8519, 0, 0], [0, 8.8519, 0], [0, 0, 4.9371]]========================================= 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":4.18,"usertime":6.73,"systime":20.36,"memmax":136548,"memavg":0} output/kim.log: --------------- 2023-05-08:09:57:24MDT * 0 * information * 0x2862c30 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:57:24MDT * 1 * information * 0x2862c30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:09:57:24MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2862c30'.2023-05-08:09:57:24MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:57:24MDT * 0 * information * 0x2862c30 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:57:24MDT * 0 * information * 0x2863f20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:57:24MDT * 1 * information * 0x2863f20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2862c30_Collections'.2023-05-08:09:57:24MDT * 2 * information * 0x2862c30_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2863f20'.2023-05-08:09:57:24MDT * 3 * information * 0x2862c30_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:57:24MDT * 1 * information * 0x2862c30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:09:57:24MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2862c30'.2023-05-08:09:57:24MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:57:24MDT * 0 * information * 0x2862c30 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:57:24MDT * 0 * information * 0x2863100 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:09:57:24MDT * 1 * information * 0x2863100 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2862c30_Collections'.2023-05-08:09:57:24MDT * 2 * information * 0x2862c30_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2863100'.2023-05-08:09:57:24MDT * 3 * information * 0x2862c30_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:09:57:24MDT * 1 * information * 0x2862c30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:09:57:24MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2862c30'.2023-05-08:09:57:24MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.