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: ----------------------- [0.00229888 0.64642472 0.39519241] [0.17625136 0.61636861 0.20774782] [0.1669894 0.54043127 0.53053792] [0.22514745 0.77227391 0.50809308] [0.44780501 0.32399935 0.09906714] [0.30569484 0.46824307 0.1067649 ] [0.37179974 0.22309719 0.64225231] [0.46944382 0.45741311 0.73041102] [0.36377215 0.37555261 0.40011857] [0.35914711 0.35493254 0.61093966] [0.41272567 0.42822776 0.220992 ] [0.1430274 0.64362856 0.40934169] [0.36088974 0.85775673 0.56909106] [0.13233655 0.44103851 0.67012566] [0.23826391 0.56761513 0.04445393] [0.45906973 0.75813811 0.92507165] [0.55924048 0.87649429 0.3040832 ]]spacegroup = 2cell = [[11.5556, 0, 0], [-2.9920612213028, 11.281673215351, 0], [-0.80532045455937, -0.85144168270497, 7.3933896499793]]========================================= 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":22.66,"usertime":32.21,"systime":47.40,"memmax":223568,"memavg":0} output/kim.log: --------------- 2023-07-05:14:34:24CDT * 0 * information * 0x3ba9130 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:34:24CDT * 1 * information * 0x3ba9130 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-07-05:14:34:24CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ba9130'.2023-07-05:14:34:24CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:34:24CDT * 0 * information * 0x3ba9130 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:34:24CDT * 0 * information * 0x3ba97d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:34:24CDT * 1 * information * 0x3ba97d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3ba9130_Collections'.2023-07-05:14:34:24CDT * 2 * information * 0x3ba9130_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ba97d0'.2023-07-05:14:34:24CDT * 3 * information * 0x3ba9130_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:34:24CDT * 1 * information * 0x3ba9130 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:14:34:24CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ba9130'.2023-07-05:14:34:24CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:34:24CDT * 0 * information * 0x3ba9130 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:34:24CDT * 0 * information * 0x3bab1a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:34:24CDT * 1 * information * 0x3bab1a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3ba9130_Collections'.2023-07-05:14:34:24CDT * 2 * information * 0x3ba9130_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3bab1a0'.2023-07-05:14:34:24CDT * 3 * information * 0x3ba9130_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:34:24CDT * 1 * information * 0x3ba9130 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:14:34:24CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ba9130'.2023-07-05:14:34:24CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.