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: Pt LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 fcc [3.740705013275146]Cell Size Min: 4Cell Size Max: 6Smallest System Size: 256Largest System Size: 864[Calculation]Calculating Size 4 ... Step Time Energy fmaxMDMin: 0 15:26:14 -6590.835915 88.6297MDMin: 1 15:26:16 61611.787963 137637.9772MDMin: 2 15:26:22 111044665132173010483019776.000000 66135271050700471846672793600.0000
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 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":21.03,"usertime":51.55,"systime":366.30,"memmax":1209188,"memavg":0}
output/kim.log:
---------------
2023-09-20:15:26:23MDT * 0 * information * 0x5b9e6f0_0x5d0a5d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x5b9e6f0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x5b9bd70_0x5b9be40 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x5b9bd70 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x5a2d230_0x5a2d300 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x5a2d230 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x4477140_0x4477210 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x4477140 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x445c4e0_0x445c5b0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x445c4e0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x43aa4d0_0x43aa5a0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x43aa4d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x40cfc90_0x423bb70 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x40cfc90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x40cd280_0x40cd350 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x40cd280 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x3defd30_0x3defe00 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x3defd30 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x45731a0_0x4573280 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:23MDT * 0 * information * 0x45731a0 * KIM_LogImplementation.cpp:119 * Log object destroyed.