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:
-----------------------
BFGS: 7 14:36:20 -0.033768 0.013347BFGS: 8 14:36:20 -0.035524 0.013625BFGS: 9 14:36:20 -0.037196 0.013727BFGS: 10 14:36:20 -0.038733 0.013602BFGS: 11 14:36:20 -0.040073 0.013188BFGS: 12 14:36:20 -0.041144 0.012413BFGS: 13 14:36:20 -0.041861 0.011192BFGS: 14 14:36:20 -0.042129 0.014028BFGS: 15 14:36:20 -0.042144 0.014047BFGS: 16 14:36:20 -0.043551 0.015102BFGS: 17 14:36:20 -0.045033 0.015970BFGS: 18 14:36:20 -0.046562 0.016646BFGS: 19 14:36:20 -0.048121 0.017086BFGS: 20 14:36:20 -0.049690 0.019854BFGS: 21 14:36:20 -0.051249 0.023572BFGS: 22 14:36:20 -0.052772 0.027666BFGS: 23 14:36:20 -0.054229 0.032142BFGS: 24 14:36:20 -0.055586 0.036986BFGS: 25 14:36:20 -0.056811 0.042123BFGS: 26 14:36:20 -0.059561 0.017285
output/pipeline.stderr:
-----------------------
File "../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner", line 142, in <module> forces = atoms.get_forces() File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 502, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 357, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 463, in propagate self.lmp.command('run %d' % n_steps) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 618, 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: Too many ghost atoms (src/REAXFF/pair_reaxff.cpp:541)Command exited with non-zero status 1{"realtime":4.03,"usertime":3.98,"systime":10.43,"memmax":157624,"memavg":0}
output/kim.log:
---------------
2024-05-17:14:36:20MDT * 0 * information * 0x35e4ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:36:20MDT * 1 * information * 0x35e4ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:14:36:20MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e4ed0'.2024-05-17:14:36:20MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:36:20MDT * 0 * information * 0x35e4ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:36:20MDT * 0 * information * 0x35e63e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:36:20MDT * 1 * information * 0x35e63e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x35e4ed0_Collections'.2024-05-17:14:36:20MDT * 2 * information * 0x35e4ed0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e63e0'.2024-05-17:14:36:20MDT * 3 * information * 0x35e4ed0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:36:20MDT * 1 * information * 0x35e4ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:14:36:20MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e4ed0'.2024-05-17:14:36:20MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:36:20MDT * 0 * information * 0x35e4ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:36:20MDT * 0 * information * 0x35e5310 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:36:20MDT * 1 * information * 0x35e5310 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x35e4ed0_Collections'.2024-05-17:14:36:20MDT * 2 * information * 0x35e4ed0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e5310'.2024-05-17:14:36:20MDT * 3 * information * 0x35e4ed0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:36:20MDT * 1 * information * 0x35e4ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:14:36:20MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35e4ed0'.2024-05-17:14:36:20MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.