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: ----------------------- 1Parameter values for parameter set 0:['15.7984', '0.63026003', '0.16806198', '0.90795021', '0.32807867', '0.041251275', '0.05065978', '0.10763239', '0.13391908', '0.048411919', '0.81710761', '0.35129893', '0.92795455', '0.15654161', '0.34076129', '0.038025294', '0.22993528', '0.18973006', '0.068698922', '0.36363369', '0.2924101', '0.081429204', '0.35773201']model name:Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']representative atom coordinates = [[0. 0.5 0.16806198] [0.90795021 0.40795021 0. ] [0.32807867 0.04125127 0.5 ] [0.05065978 0.10763239 0.5 ] [0.81710761 0.31710761 0.35129893] [0.34076129 0.03802529 0.22993528] [0.18973006 0.06869892 0.36363369] [0.13391908 0.04841192 0.5 ] [0.92795455 0.42795455 0.15654161] [0.2924101 0.0814292 0.35773201]]spacegroup = 127cell = [[15.7984, 0, 0], [0, 15.7984, 0], [0, 0, 9.9571]]========================================= output/pipeline.stderr: ----------------------- File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 156, in forces = atoms.get_forces() 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 462, in propagate self.lmp.command('run %d' % n_steps) 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: All pair coeffs are not set (src/pair.cpp:249)Command exited with non-zero status 1{"realtime":4.82,"usertime":6.12,"systime":15.15,"memmax":251652,"memavg":0} output/kim.log: --------------- 2023-07-05:13:39:53MDT * 0 * information * 0x3286f90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:39:53MDT * 1 * information * 0x3286f90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-07-05:13:39:53MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3286f90'.2023-07-05:13:39:53MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:39:53MDT * 0 * information * 0x3286f90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:39:53MDT * 0 * information * 0x32873c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:39:53MDT * 1 * information * 0x32873c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3286f90_Collections'.2023-07-05:13:39:53MDT * 2 * information * 0x3286f90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32873c0'.2023-07-05:13:39:53MDT * 3 * information * 0x3286f90_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:39:53MDT * 1 * information * 0x3286f90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:13:39:53MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3286f90'.2023-07-05:13:39:53MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:39:53MDT * 0 * information * 0x3286f90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:39:53MDT * 0 * information * 0x3288070 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:39:53MDT * 1 * information * 0x3288070 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3286f90_Collections'.2023-07-05:13:39:53MDT * 2 * information * 0x3286f90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3288070'.2023-07-05:13:39:53MDT * 3 * information * 0x3286f90_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:39:53MDT * 1 * information * 0x3286f90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:13:39:53MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3286f90'.2023-07-05:13:39:53MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.