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: 15 15:54:47 -69.671380 1.382590BFGS: 16 15:54:47 -69.679368 1.520105BFGS: 17 15:54:47 -69.687345 1.652113BFGS: 18 15:54:47 -69.695306 1.778730BFGS: 19 15:54:48 -69.703241 1.900039BFGS: 20 15:54:48 -69.711141 2.016154BFGS: 21 15:54:48 -69.718994 2.127156BFGS: 22 15:54:48 -69.726789 2.233163BFGS: 23 15:54:48 -69.734509 2.334258BFGS: 24 15:54:48 -69.742138 2.430566BFGS: 25 15:54:48 -69.749659 2.522166BFGS: 26 15:54:48 -69.757052 2.609190BFGS: 27 15:54:48 -69.764294 2.691716BFGS: 28 15:54:48 -69.771360 2.769881BFGS: 29 15:54:48 -69.778225 2.843756BFGS: 30 15:54:48 -69.784859 2.913486BFGS: 31 15:54:48 -69.791231 2.979131BFGS: 32 15:54:48 -69.797308 3.040842BFGS: 33 15:54:48 -69.803053 3.098660BFGS: 34 15:54:48 -69.808428 3.152746 output/pipeline.stderr: ----------------------- File "../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner", line 142, in forces = atoms.get_forces() 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/lammpslib.py", line 357, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 463, in propagate self.lmp.command('run %d' % n_steps) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 618, 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:541)Command exited with non-zero status 1{"realtime":5.34,"usertime":6.99,"systime":16.41,"memmax":153836,"memavg":0} output/kim.log: --------------- 2024-05-17:15:54:47MDT * 0 * information * 0x2e5b2e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:54:47MDT * 1 * information * 0x2e5b2e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:15:54:47MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e5b2e0'.2024-05-17:15:54:47MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:54:47MDT * 0 * information * 0x2e5b2e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:54:47MDT * 0 * information * 0x2e5c450 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:54:47MDT * 1 * information * 0x2e5c450 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2e5b2e0_Collections'.2024-05-17:15:54:47MDT * 2 * information * 0x2e5b2e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e5c450'.2024-05-17:15:54:47MDT * 3 * information * 0x2e5b2e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:54:47MDT * 1 * information * 0x2e5b2e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:15:54:47MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e5b2e0'.2024-05-17:15:54:47MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:54:47MDT * 0 * information * 0x2e5b2e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:54:47MDT * 0 * information * 0x2e5b750 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:54:47MDT * 1 * information * 0x2e5b750 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2e5b2e0_Collections'.2024-05-17:15:54:47MDT * 2 * information * 0x2e5b2e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e5b750'.2024-05-17:15:54:47MDT * 3 * information * 0x2e5b2e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:54:47MDT * 1 * information * 0x2e5b2e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:15:54:47MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e5b2e0'.2024-05-17:15:54:48MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.