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: 11 14:30:02 -34.345330 11.074737BFGS: 12 14:30:02 -34.732325 3.549567BFGS: 13 14:30:03 -34.795860 2.139617BFGS: 14 14:30:03 -34.666788 10.317492BFGS: 15 14:30:03 -34.803213 0.274948BFGS: 16 14:30:03 -34.803717 0.162617BFGS: 17 14:30:03 -34.805034 0.608550BFGS: 18 14:30:03 -34.808650 1.570449BFGS: 19 14:30:03 -34.814159 2.396861BFGS: 20 14:30:03 -34.820187 2.972202BFGS: 21 14:30:03 -34.826625 3.430263BFGS: 22 14:30:03 -34.833334 3.825428BFGS: 23 14:30:03 -34.840222 4.180151BFGS: 24 14:30:03 -34.847230 4.503312BFGS: 25 14:30:03 -34.854311 4.798311BFGS: 26 14:30:03 -34.861415 5.066087BFGS: 27 14:30:03 -34.868490 5.306095BFGS: 28 14:30:03 -34.875481 5.516518BFGS: 29 14:30:03 -34.882327 5.694101BFGS: 30 14:30:03 -34.888972 5.833648 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":4.48,"usertime":5.06,"systime":14.20,"memmax":159292,"memavg":0} output/kim.log: --------------- 2024-05-17:14:30:02MDT * 0 * information * 0x2ebfee0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:30:02MDT * 1 * information * 0x2ebfee0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:14:30:02MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ebfee0'.2024-05-17:14:30:02MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:30:02MDT * 0 * information * 0x2ebfee0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:30:02MDT * 0 * information * 0x2ec10e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:30:02MDT * 1 * information * 0x2ec10e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ebfee0_Collections'.2024-05-17:14:30:02MDT * 2 * information * 0x2ebfee0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ec10e0'.2024-05-17:14:30:02MDT * 3 * information * 0x2ebfee0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:30:02MDT * 1 * information * 0x2ebfee0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:14:30:02MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ebfee0'.2024-05-17:14:30:02MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:30:02MDT * 0 * information * 0x2ebfee0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:30:02MDT * 0 * information * 0x2ec05c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:14:30:02MDT * 1 * information * 0x2ec05c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2ebfee0_Collections'.2024-05-17:14:30:02MDT * 2 * information * 0x2ebfee0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ec05c0'.2024-05-17:14:30:02MDT * 3 * information * 0x2ebfee0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:14:30:02MDT * 1 * information * 0x2ebfee0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:14:30:02MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2ebfee0'.2024-05-17:14:30:03MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.