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: ----------------------- BFGS: 7 15:28:14 -0.033768 0.0133BFGS: 8 15:28:14 -0.035524 0.0136BFGS: 9 15:28:14 -0.037196 0.0137BFGS: 10 15:28:14 -0.038733 0.0136BFGS: 11 15:28:14 -0.040073 0.0132BFGS: 12 15:28:14 -0.041144 0.0124BFGS: 13 15:28:14 -0.041861 0.0112BFGS: 14 15:28:14 -0.042129 0.0140BFGS: 15 15:28:14 -0.042144 0.0140BFGS: 16 15:28:14 -0.043551 0.0151BFGS: 17 15:28:14 -0.045033 0.0160BFGS: 18 15:28:14 -0.046562 0.0166BFGS: 19 15:28:14 -0.048121 0.0171BFGS: 20 15:28:14 -0.049690 0.0199BFGS: 21 15:28:14 -0.051249 0.0236BFGS: 22 15:28:14 -0.052772 0.0277BFGS: 23 15:28:14 -0.054229 0.0321BFGS: 24 15:28:14 -0.055586 0.0370BFGS: 25 15:28:14 -0.056811 0.0421BFGS: 26 15:28:14 -0.059561 0.0173 output/pipeline.stderr: ----------------------- File "../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner", line 142, in forces = atoms.get_forces() File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', 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":3.80,"usertime":4.59,"systime":14.18,"memmax":164064,"memavg":0} output/kim.log: --------------- 2023-09-26:15:28:14MDT * 0 * information * 0x34e6460 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 1 * information * 0x34e6460 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:15:28:14MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34e6460'.2023-09-26:15:28:14MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 0 * information * 0x34e6460 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 0 * information * 0x34e7950 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 1 * information * 0x34e7950 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34e6460_Collections'.2023-09-26:15:28:14MDT * 2 * information * 0x34e6460_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34e7950'.2023-09-26:15:28:14MDT * 3 * information * 0x34e6460_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 1 * information * 0x34e6460 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:28:14MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34e6460'.2023-09-26:15:28:14MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 0 * information * 0x34e6460 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 0 * information * 0x34e68a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 1 * information * 0x34e68a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34e6460_Collections'.2023-09-26:15:28:14MDT * 2 * information * 0x34e6460_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34e68a0'.2023-09-26:15:28:14MDT * 3 * information * 0x34e6460_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 1 * information * 0x34e6460 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:28:14MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34e6460'.2023-09-26:15:28:14MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.