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 14:57:59 -0.029606 0.0229BFGS: 7 14:57:59 -0.032265 0.0230BFGS: 8 14:57:59 -0.034920 0.0222BFGS: 9 14:57:59 -0.037477 0.0202BFGS: 10 14:57:59 -0.039801 0.0166BFGS: 11 14:57:59 -0.041708 0.0137BFGS: 12 14:57:59 -0.042948 0.0091BFGS: 13 14:57:59 -0.043190 0.0114BFGS: 14 14:57:59 -0.043240 0.0068BFGS: 15 14:57:59 -0.043242 0.0072BFGS: 16 14:58:00 -0.043246 0.0077BFGS: 17 14:58:00 -0.043256 0.0086BFGS: 18 14:58:00 -0.043281 0.0098BFGS: 19 14:58:00 -0.043344 0.0117BFGS: 20 14:58:00 -0.043496 0.0141BFGS: 21 14:58:00 -0.043857 0.0174BFGS: 22 14:58:00 -0.044414 0.0216BFGS: 23 14:58:00 -0.045256 0.0235BFGS: 24 14:58:00 -0.046329 0.0243BFGS: 25 14:58:00 -0.047588 0.0250 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":3.75,"usertime":3.10,"systime":9.54,"memmax":140500,"memavg":0} output/kim.log: --------------- 2023-09-26:14:57:59MDT * 0 * information * 0x1ca4a90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:14:57:59MDT * 1 * information * 0x1ca4a90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:14:57:59MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ca4a90'.2023-09-26:14:57:59MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:14:57:59MDT * 0 * information * 0x1ca4a90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:14:57:59MDT * 0 * information * 0x1ca5100 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:14:57:59MDT * 1 * information * 0x1ca5100 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1ca4a90_Collections'.2023-09-26:14:57:59MDT * 2 * information * 0x1ca4a90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ca5100'.2023-09-26:14:57:59MDT * 3 * information * 0x1ca4a90_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:14:57:59MDT * 1 * information * 0x1ca4a90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:14:57:59MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ca4a90'.2023-09-26:14:57:59MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:14:57:59MDT * 0 * information * 0x1ca4a90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:14:57:59MDT * 0 * information * 0x1ca5c70 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:14:57:59MDT * 1 * information * 0x1ca5c70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1ca4a90_Collections'.2023-09-26:14:57:59MDT * 2 * information * 0x1ca4a90_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ca5c70'.2023-09-26:14:57:59MDT * 3 * information * 0x1ca4a90_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:14:57:59MDT * 1 * information * 0x1ca4a90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:14:57:59MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ca4a90'.2023-09-26:14:58:00MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.