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: 6 10:51:03 -0.029606 0.022913BFGS: 7 10:51:04 -0.032265 0.022970BFGS: 8 10:51:04 -0.034920 0.022185BFGS: 9 10:51:04 -0.037477 0.020203BFGS: 10 10:51:04 -0.039801 0.016580BFGS: 11 10:51:04 -0.041708 0.013663BFGS: 12 10:51:05 -0.042948 0.009062BFGS: 13 10:51:05 -0.043190 0.011401BFGS: 14 10:51:05 -0.043240 0.006793BFGS: 15 10:51:05 -0.043242 0.007232BFGS: 16 10:51:05 -0.043246 0.007733BFGS: 17 10:51:06 -0.043256 0.008556BFGS: 18 10:51:06 -0.043281 0.009815BFGS: 19 10:51:06 -0.043344 0.011661BFGS: 20 10:51:06 -0.043496 0.014085BFGS: 21 10:51:07 -0.043857 0.017436BFGS: 22 10:51:07 -0.044414 0.021560BFGS: 23 10:51:07 -0.045256 0.023479BFGS: 24 10:51:07 -0.046329 0.024290BFGS: 25 10:51:07 -0.047588 0.025024 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":26.62,"usertime":36.59,"systime":53.51,"memmax":146024,"memavg":0} output/kim.log: --------------- 2023-05-03:10:51:02CDT * 0 * information * 0x3604b90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 1 * information * 0x3604b90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-03:10:51:02CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3604b90'.2023-05-03:10:51:02CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 0 * information * 0x3604b90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 0 * information * 0x3605230 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 1 * information * 0x3605230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3604b90_Collections'.2023-05-03:10:51:02CDT * 2 * information * 0x3604b90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3605230'.2023-05-03:10:51:02CDT * 3 * information * 0x3604b90_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 1 * information * 0x3604b90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-03:10:51:02CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3604b90'.2023-05-03:10:51:02CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 0 * information * 0x3604b90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 0 * information * 0x3606c00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:10:51:02CDT * 1 * information * 0x3606c00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3604b90_Collections'.2023-05-03:10:51:02CDT * 2 * information * 0x3604b90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3606c00'.2023-05-03:10:51:02CDT * 3 * information * 0x3604b90_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:10:51:02CDT * 1 * information * 0x3604b90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-03:10:51:02CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3604b90'.2023-05-03:10:51:08CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.