RuntimeError: Job process returned error code 1
Traceback (most recent call last):
File "/usr/local/bin/run_openkim_job.py", line 546, in <module>
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:
-----------------------
A2B_tP48_126_fik_kParameter names:['a', 'c/a', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['11.2802', '0.45787309', '0.48190928', '0.11664651', '0.84097387', '0.15112788', '0.056886411', '0.86952041', '0.87299833']model name:Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'Si']representative atom coordinates = [[0.25 0.25 0.25 ] [0.23190928 0. 0. ] [0.86664651 0.59097387 0.90112788] [0.80688641 0.61952041 0.62299833]]spacegroup = 126cell = [[11.2802, 0, 0], [0, 11.2802, 0], [0, 0, 5.1649]]=========================================
output/pipeline.stderr:
-----------------------
File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 156, in <module> 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":34.10,"usertime":42.99,"systime":47.43,"memmax":187548,"memavg":0}
output/kim.log:
---------------
2023-07-05:14:40:18CDT * 0 * information * 0x2ded9e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:40:18CDT * 1 * information * 0x2ded9e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-07-05:14:40:18CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ded9e0'.2023-07-05:14:40:18CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:40:18CDT * 0 * information * 0x2ded9e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:40:18CDT * 0 * information * 0x2dee090 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:40:18CDT * 1 * information * 0x2dee090 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ded9e0_Collections'.2023-07-05:14:40:18CDT * 2 * information * 0x2ded9e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2dee090'.2023-07-05:14:40:18CDT * 3 * information * 0x2ded9e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:40:18CDT * 1 * information * 0x2ded9e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:14:40:18CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ded9e0'.2023-07-05:14:40:18CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:40:18CDT * 0 * information * 0x2ded9e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:40:18CDT * 0 * information * 0x2def880 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:40:18CDT * 1 * information * 0x2def880 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ded9e0_Collections'.2023-07-05:14:40:18CDT * 2 * information * 0x2ded9e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2def880'.2023-07-05:14:40:18CDT * 3 * information * 0x2ded9e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:40:18CDT * 1 * information * 0x2ded9e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:14:40:18CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ded9e0'.2023-07-05:14:40:19CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.