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: ----------------------- element(s):['P']AFLOW prototype label:A_tI4_139_eParameter names:['a', 'c/a', 'z1']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['2.4848', '4.3092402', '0.10450128']model name:Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000==== Building ASE atoms object with: ====representative atom symbols = ['P']representative atom coordinates = [[0. 0. 0.10450128]]spacegroup = 139cell = [[2.4848, 0, 0], [0, 2.4848, 0], [0, 0, 10.7076]]========================================= output/pipeline.stderr: ----------------------- File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 156, in File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces 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":20.04,"usertime":25.26,"systime":32.20,"memmax":119424,"memavg":0} output/kim.log: --------------- 2023-05-08:20:00:28CDT * 0 * information * 0x2ec5990 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:20:00:28CDT * 1 * information * 0x2ec5990 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:20:00:28CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ec5990'.2023-05-08:20:00:28CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:20:00:28CDT * 0 * information * 0x2ec5990 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:20:00:28CDT * 0 * information * 0x2ec74a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:20:00:28CDT * 1 * information * 0x2ec74a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ec5990_Collections'.2023-05-08:20:00:28CDT * 2 * information * 0x2ec5990_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ec74a0'.2023-05-08:20:00:28CDT * 3 * information * 0x2ec5990_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:20:00:28CDT * 1 * information * 0x2ec5990 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:20:00:28CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ec5990'.2023-05-08:20:00:28CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:20:00:28CDT * 0 * information * 0x2ec5990 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:20:00:28CDT * 0 * information * 0x2ec6080 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:20:00:28CDT * 1 * information * 0x2ec6080 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ec5990_Collections'.2023-05-08:20:00:28CDT * 2 * information * 0x2ec5990_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ec6080'.2023-05-08:20:00:28CDT * 3 * information * 0x2ec5990_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:20:00:28CDT * 1 * information * 0x2ec5990 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:20:00:28CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ec5990'.2023-05-08:20:00:29CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.