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:
-----------------------
Enter the name of the KIM Model you wish to perform calculations for:Enter the name of the species you wish to simulate:Enter the lattice type of the crystal ('bcc', 'diamond', 'fcc', 'hcp', or 'sc'):Enter the lattice constant 'a' in meters:If the lattice type is hcp, enter the lattice constant 'c' in meters (if you are not using hcp as the lattice, simply put any value here, as it will be ignored):Parameters Input: Be EAM_Dynamo_AgrawalMishraWard_2013_Be__MO_404563086984_000 hcp [2.612561490621903, 4.349100453546807]Cell Size Min: 5Cell Size Max: 7Smallest System Size: 250Largest System Size: 686[Calculation]Calculating Size 5 ...[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 15:32:25 -334264.524778 17178.0669
output/pipeline.stderr:
-----------------------
File "/usr/local/lib/python3.8/dist-packages/ase/neb.py", line 405, in get_forces energies[i] = images[i].get_potential_energy() 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 265, in calculate self.kim_model.compute(self.compute_args, self.release_GIL) 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 "compute" failed: the model does not provide an Extension routine! orthe model's Extension routine returns error!Command exited with non-zero status 1{"realtime":7.72,"usertime":3.93,"systime":3.05,"memmax":369736,"memavg":0}
output/kim.log:
---------------
2023-09-20:15:32:25MDT * 0 * information * 0x769bfa0_0x7cb7170 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x769bfa0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36ffa30_0x36ffb90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36ffa30 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36fd230_0x36fd390 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36fd230 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36faa30_0x36fab90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36faa30 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f8230_0x36f8390 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f8230 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f5a30_0x36f5b90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f5a30 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f3230_0x36f3390 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f3230 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f0a30_0x36f0b90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x36f0a30 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x3691c60_0x3691dc0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x3691c60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x356fa60_0x356fbc0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:32:25MDT * 0 * information * 0x356fa60 * KIM_LogImplementation.cpp:119 * Log object destroyed.