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: ----------------------- Parameter names:['a', 'b/a', 'c/a', 'x2', 'x3', 'y4', 'x5', 'y5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['8.2508', '1.1477432', '0.54880739', '0.53383947', '0.39942263', '0.38668341', '0.4158417', '0.34881125', '0.45181576']model name:Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.25 0.25 0.25 ] [0.28383947 0. 0. ] [0.14942263 0. 0.5 ] [0. 0.13668341 0. ] [0.1658417 0.09881125 0.20181576]]spacegroup = 48cell = [[8.2508, 0, 0], [0, 9.4698, 0], [0, 0, 4.5281]]========================================= 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":10.27,"usertime":11.44,"systime":16.63,"memmax":131268,"memavg":0} output/kim.log: --------------- 2023-07-05:13:38:38MDT * 0 * information * 0x288b820 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:38:38MDT * 1 * information * 0x288b820 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-07-05:13:38:38MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x288b820'.2023-07-05:13:38:38MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:38:38MDT * 0 * information * 0x288b820 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:38:38MDT * 0 * information * 0x288bcb0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:38:38MDT * 1 * information * 0x288bcb0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x288b820_Collections'.2023-07-05:13:38:38MDT * 2 * information * 0x288b820_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x288bcb0'.2023-07-05:13:38:38MDT * 3 * information * 0x288b820_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:38:38MDT * 1 * information * 0x288b820 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:13:38:38MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x288b820'.2023-07-05:13:38:38MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:38:38MDT * 0 * information * 0x288b820 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:38:38MDT * 0 * information * 0x288ca30 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:38:38MDT * 1 * information * 0x288ca30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x288b820_Collections'.2023-07-05:13:38:38MDT * 2 * information * 0x288b820_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x288ca30'.2023-07-05:13:38:38MDT * 3 * information * 0x288b820_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:38:38MDT * 1 * information * 0x288b820 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:13:38:38MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x288b820'.2023-07-05:13:38:38MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.