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_oP16_62_4cParameter names:['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C', 'C', 'C']representative atom coordinates = [[0.80509054 0.25 0.07436885] [0.18951676 0.25 0.70009446] [0.5207376 0.25 0.90843723] [0.46345886 0.25 0.56850299]]spacegroup = 62cell = [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, 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":4.10,"usertime":5.37,"systime":15.10,"memmax":126712,"memavg":0} output/kim.log: --------------- 2023-09-26:16:58:32MDT * 0 * information * 0x22b1520 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:58:32MDT * 1 * information * 0x22b1520 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:16:58:32MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22b1520'.2023-09-26:16:58:32MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:58:32MDT * 0 * information * 0x22b1520 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:58:32MDT * 0 * information * 0x22b19e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:58:32MDT * 1 * information * 0x22b19e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x22b1520_Collections'.2023-09-26:16:58:32MDT * 2 * information * 0x22b1520_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22b19e0'.2023-09-26:16:58:32MDT * 3 * information * 0x22b1520_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:58:32MDT * 1 * information * 0x22b1520 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:16:58:32MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22b1520'.2023-09-26:16:58:32MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:58:32MDT * 0 * information * 0x22b1520 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:58:32MDT * 0 * information * 0x22b2c00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:58:32MDT * 1 * information * 0x22b2c00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x22b1520_Collections'.2023-09-26:16:58:32MDT * 2 * information * 0x22b1520_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22b2c00'.2023-09-26:16:58:32MDT * 3 * information * 0x22b1520_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:58:32MDT * 1 * information * 0x22b1520 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:16:58:32MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22b1520'.2023-09-26:16:58:32MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.