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: ----------------------- ---------------Calculation Completed.Number Of Atoms in Supercell: 512Vacancy Formation Energy (relaxed): 4.299052092756028Vacancy Formation Energy (unrelaxed): 4.321954644680318Unrelaxed Cell Volume: 9833.118352143712Relaxed Cell Volume: 9829.26027897201Relaxation Volume: 3.8580731717029266Relaxed Cell Vector: [21.421017216012142, 2.546895730996056e-06, 21.421015623161484, -4.056362219251553e-07, 5.096620608841677e-07, 21.42101607161562]Unrelaxed Cell Vector: [21.423828780651093, 0.0, 21.423828780651093, 0.0, 0.0, 21.423828780651093]Relaxed Cell: [[ 2.14210172e+01 0.00000000e+00 0.00000000e+00] [ 2.54689573e-06 2.14210156e+01 0.00000000e+00] [-4.05636222e-07 5.09662061e-07 2.14210161e+01]]Unrelaxed Cell: [[21.42382878 0. 0. ] [ 0. 21.42382878 0. ] [ 0. 0. 21.42382878]] output/pipeline.stderr: ----------------------- File "../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner", line 182, in _getResultsForSize enAtoms = atoms.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/lammpslib.py", line 356, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 462, in propagate self.lmp.command('run %d' % n_steps) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 581, in command self.lib.lammps_command(self.lmp,cmd) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 49, in __exit__ raise self.lmp._lammps_exceptionException: ERROR: Too many ghost atoms (src/REAXFF/pair_reaxff.cpp:549)Command exited with non-zero status 1{"realtime":528.49,"usertime":958.17,"systime":9285.55,"memmax":274448,"memavg":0} output/kim.log: --------------- 2023-09-19:18:06:25MDT * 0 * information * 0x29e4f00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:06:25MDT * 1 * information * 0x29e4f00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-19:18:06:25MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e4f00'.2023-09-19:18:06:25MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:06:25MDT * 0 * information * 0x29e4f00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:06:25MDT * 0 * information * 0x29e5360 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:06:25MDT * 1 * information * 0x29e5360 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x29e4f00_Collections'.2023-09-19:18:06:25MDT * 2 * information * 0x29e4f00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e5360'.2023-09-19:18:06:25MDT * 3 * information * 0x29e4f00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:06:25MDT * 1 * information * 0x29e4f00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:06:25MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e4f00'.2023-09-19:18:06:25MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:06:25MDT * 0 * information * 0x29e4f00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:06:25MDT * 0 * information * 0x29e5f40 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:06:25MDT * 1 * information * 0x29e5f40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x29e4f00_Collections'.2023-09-19:18:06:25MDT * 2 * information * 0x29e4f00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e5f40'.2023-09-19:18:06:25MDT * 3 * information * 0x29e4f00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:06:25MDT * 1 * information * 0x29e4f00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:06:25MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x29e4f00'.2023-09-19:18:15:09MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.