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 16:19:50 -0.033768 0.013347BFGS: 8 16:19:50 -0.035524 0.013625BFGS: 9 16:19:50 -0.037196 0.013727BFGS: 10 16:19:50 -0.038733 0.013602BFGS: 11 16:19:50 -0.040073 0.013188BFGS: 12 16:19:50 -0.041144 0.012413BFGS: 13 16:19:50 -0.041861 0.011192BFGS: 14 16:19:50 -0.042129 0.014028BFGS: 15 16:19:50 -0.042144 0.014047BFGS: 16 16:19:50 -0.043551 0.015102BFGS: 17 16:19:50 -0.045033 0.015970BFGS: 18 16:19:50 -0.046562 0.016646BFGS: 19 16:19:50 -0.048121 0.017086BFGS: 20 16:19:50 -0.049690 0.019854BFGS: 21 16:19:50 -0.051249 0.023572BFGS: 22 16:19:50 -0.052772 0.027666BFGS: 23 16:19:51 -0.054229 0.032142BFGS: 24 16:19:51 -0.055586 0.036986BFGS: 25 16:19:51 -0.056811 0.042123BFGS: 26 16:19:51 -0.059561 0.017285 output/pipeline.stderr: ----------------------- File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 156, 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 500, 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":3.54,"usertime":6.38,"systime":20.51,"memmax":155124,"memavg":0} output/kim.log: --------------- 2023-05-01:16:19:50MDT * 0 * information * 0x2772aa0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:19:50MDT * 1 * information * 0x2772aa0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-01:16:19:50MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2772aa0'.2023-05-01:16:19:50MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:19:50MDT * 0 * information * 0x2772aa0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:19:50MDT * 0 * information * 0x27741d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:19:50MDT * 1 * information * 0x27741d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2772aa0_Collections'.2023-05-01:16:19:50MDT * 2 * information * 0x2772aa0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27741d0'.2023-05-01:16:19:50MDT * 3 * information * 0x2772aa0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:19:50MDT * 1 * information * 0x2772aa0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-01:16:19:50MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2772aa0'.2023-05-01:16:19:50MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:19:50MDT * 0 * information * 0x2772aa0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:19:50MDT * 0 * information * 0x2772eb0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-01:16:19:50MDT * 1 * information * 0x2772eb0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2772aa0_Collections'.2023-05-01:16:19:50MDT * 2 * information * 0x2772aa0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2772eb0'.2023-05-01:16:19:50MDT * 3 * information * 0x2772aa0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-01:16:19:50MDT * 1 * information * 0x2772aa0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-01:16:19:50MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2772aa0'.2023-05-01:16:19:51MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.