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: Ir LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 fcc [3.8782314062118526]Cell Size Min: 4Cell Size Max: 6Smallest System Size: 256Largest System Size: 864[Calculation]Calculating Size 4 ... Step Time Energy fmaxMDMin: 0 15:24:10 -7772.045604 100.8055MDMin: 1 15:24:13 155822.889691 350022.3987MDMin: 2 15:24:27 32134250725965939855206568517697536.000000 91775748646532933506938939867758854144.0000
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 24, in check_call return f(*args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/neighborlist.py", line 346, in build return self.neigh.build(ValueError: cannot create std::vector larger than max_size()Command exited with non-zero status 1{"realtime":33.85,"usertime":52.02,"systime":271.14,"memmax":13176044,"memavg":0}
output/kim.log:
---------------
2023-09-20:15:24:27MDT * 0 * information * 0x4d27e90_0x4d27f60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x4d27e90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x4bb9370_0x4bb9440 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x4bb9370 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x36cd900_0x36cd9d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x36cd900 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x36b2ca0_0x36b2d70 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x36b2ca0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3600c90_0x3600d60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3600c90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3326450_0x3492330 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3326450 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3323a40_0x3323b10 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3323a40 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x31b5050_0x31b5120 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x31b5050 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3046500_0x30465d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x3046500 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x2ed7ef0_0x2ed7fd0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:24:27MDT * 0 * information * 0x2ed7ef0 * KIM_LogImplementation.cpp:119 * Log object destroyed.