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_hP36_163_ghi_iParameter 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:['8.293', '0.90952611', '0.8005223', '0.83505567', '0.14328518', '0.5881771', '0.64929852', '0.93929332', '0.57255935']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 = [[0.5 0. 0. ] [0.1994777 0.8005223 0.25 ] [0.14328518 0.30822951 0.5881771 ] [0.93929332 0.2899948 0.57255935]]spacegroup = 163cell = [[8.293, 0, 0], [-4.1465, 7.1819486735843, 0], [0, 0, 7.5427]]=========================================
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":4.31,"usertime":5.46,"systime":19.10,"memmax":217068,"memavg":0}
output/kim.log:
---------------
2023-07-05:13:35:48MDT * 0 * information * 0x2b96960 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:35:48MDT * 1 * information * 0x2b96960 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-07-05:13:35:48MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b96960'.2023-07-05:13:35:48MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:35:48MDT * 0 * information * 0x2b96960 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:35:48MDT * 0 * information * 0x2b96df0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:35:48MDT * 1 * information * 0x2b96df0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b96960_Collections'.2023-07-05:13:35:48MDT * 2 * information * 0x2b96960_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b96df0'.2023-07-05:13:35:48MDT * 3 * information * 0x2b96960_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:35:48MDT * 1 * information * 0x2b96960 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:13:35:48MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b96960'.2023-07-05:13:35:48MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:35:48MDT * 0 * information * 0x2b96960 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:35:48MDT * 0 * information * 0x2b97a90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-05:13:35:48MDT * 1 * information * 0x2b97a90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2b96960_Collections'.2023-07-05:13:35:48MDT * 2 * information * 0x2b96960_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b97a90'.2023-07-05:13:35:48MDT * 3 * information * 0x2b96960_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-05:13:35:48MDT * 1 * information * 0x2b96960 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-05:13:35:48MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2b96960'.2023-07-05:13:35:49MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.