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: ----------------------- 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: Si TorchML_MACE_GuptaTadmorMartiniani_2024_Si__MO_781946209112_000 diamond [2.5809862101450562]Cell Size Min: 3Cell Size Max: 5Smallest System Size: 216Largest System Size: 1000[Calculation]Calculating Size 3 ...[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 13:54:16 151389657949816619008.000000 132297435107604742144.000000 output/pipeline.stderr: ----------------------- 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/kim/kimmodel.py", line 289, in calculate self._update_neigh(atoms, self._species_map) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/neighborlist.py", line 446, in update self.build() File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 63, in myfunc return check_call(func, *args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 56, in check_call raise KimpyError(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":24442.70,"usertime":112795.33,"systime":236216.44,"memmax":24203360,"memavg":0} output/kim.log: --------------- 2024-04-29:13:54:16CDT * 0 * information * 0x1bbb8630_0x50d31160 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x1bbb8630 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x34d18de0_0x15e9de00 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x34d18de0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0xe54c77f0_0x18698700 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0xe54c77f0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x101e87000_0x34d4d3f0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x101e87000 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x1020a77d0_0x1020047a0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x1020a77d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x14cc9fbd0_0xaf713b60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x14cc9fbd0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x230bce80_0x13e75210 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x230bce80 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0xf7870130_0x92267160 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0xf7870130 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x14f7ccc0_0xf786e7c0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x14f7ccc0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x14f7d780_0x5e333690 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-29:13:54:16CDT * 0 * information * 0x14f7d780 * KIM_LogImplementation.cpp:119 * Log object destroyed.