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:
-----------------------
AFLOW prototype label:A2B_cP72_205_2d_dParameter names:['a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['10.5357', '0.54703756', '0.74824173', '0.1654052', '0.71730161', '0.58475025', '0.071044533', '0.64661243', '0.72020308', '0.049244101']model name:Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'Si']representative atom coordinates = [[0.54703756 0.74824173 0.1654052 ] [0.71730161 0.58475025 0.07104453] [0.64661243 0.72020308 0.0492441 ]]spacegroup = 205cell = [[10.5357, 0, 0], [0, 10.5357, 0], [0, 0, 10.5357]]=========================================
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":44.88,"usertime":57.19,"systime":56.91,"memmax":246284,"memavg":0}
output/kim.log:
---------------
2023-07-05:14:36:45CDT * 0 * information * 0x2d4ba30 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:36:45CDT * 1 * information * 0x2d4ba30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-07-05:14:36:45CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d4ba30'.2023-07-05:14:36:45CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:36:45CDT * 0 * information * 0x2d4ba30 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:36:45CDT * 0 * information * 0x2d4c2c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:36:45CDT * 1 * information * 0x2d4c2c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d4ba30_Collections'.2023-07-05:14:36:45CDT * 2 * information * 0x2d4ba30_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d4c2c0'.2023-07-05:14:36:45CDT * 3 * information * 0x2d4ba30_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:36:45CDT * 1 * information * 0x2d4ba30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:14:36:45CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d4ba30'.2023-07-05:14:36:45CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:36:45CDT * 0 * information * 0x2d4ba30 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:36:45CDT * 0 * information * 0x2d4db10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:14:36:45CDT * 1 * information * 0x2d4db10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d4ba30_Collections'.2023-07-05:14:36:45CDT * 2 * information * 0x2d4ba30_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d4db10'.2023-07-05:14:36:45CDT * 3 * information * 0x2d4ba30_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:14:36:45CDT * 1 * information * 0x2d4ba30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:14:36:45CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d4ba30'.2023-07-05:14:36:45CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.