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: ----------------------- Cell Size Max: 8Smallest System Size: 216Largest System Size: 512[Calculation]Calculating Size 6 ...[ERR1047]FIRE Failed: Steps Exceeds Maximum.Vacancy Formation Energy May Not Be Accurate.[ERR1047]FIRE Failed: Steps Exceeds Maximum.Vacancy Formation Energy May Not Be Accurate. Step Time Energy fmaxMDMin: 0 15:23:27 -113.571574 13.3884MDMin: 1 15:23:28 -120.998137 16.9107MDMin: 2 15:23:28 42.038256 442.7076MDMin: 3 15:23:29 594.507892 1777.4444MDMin: 4 15:23:29 1121.722550 3035.8187MDMin: 5 15:23:29 2666.671537 10297.7546MDMin: 6 15:23:30 5776.017590 14030.6021MDMin: 7 15:23:30 2683.299185 13477.5095MDMin: 8 15:23:31 7548.852678 142681.5008 output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 731, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 709, in get_potential_energy energy = self.get_property('energy', 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/kim/kimmodel.py", line 258, in calculate self.update_neigh(atoms, self.species_map) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/neighborlist.py", line 425, in update self.build() File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 32, in myfunc return check_call(func, *args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 26, in check_call raise KimpyError(f'Calling kimpy function "{f.__name__}" failed:\n {str(e)}')ase.calculators.kim.exceptions.KimpyError: Calling kimpy function "build" failed: Cell size too large! (partilces fly away) orCollision of atoms happened!Command exited with non-zero status 1{"realtime":8.43,"usertime":8.11,"systime":29.02,"memmax":416260,"memavg":0} output/kim.log: --------------- 2023-09-20:15:23:31MDT * 0 * information * 0x1df1d20_0x1dfa380 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1df1d20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1defbe0_0x1df8240 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1defbe0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1de9310_0x1df1970 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1de9310 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1de71d0_0x1def830 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1de71d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1de0900_0x1de8f60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1de0900 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dd7ef0_0x1de0550 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dd7ef0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dd5db0_0x1dde410 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dd5db0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dd1930_0x1dd7b40 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dd1930 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dcbed0_0x1dd5a00 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x1dcbed0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x25b9470_0x1dd1580 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:23:31MDT * 0 * information * 0x25b9470 * KIM_LogImplementation.cpp:119 * Log object destroyed.