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: 8 15:28:13 -0.060227 0.0224BFGS: 9 15:28:13 -0.062976 0.0229BFGS: 10 15:28:13 -0.065659 0.0232BFGS: 11 15:28:13 -0.068232 0.0232BFGS: 12 15:28:13 -0.070643 0.0230BFGS: 13 15:28:13 -0.072831 0.0225BFGS: 14 15:28:13 -0.074727 0.0215BFGS: 15 15:28:13 -0.076250 0.0201BFGS: 16 15:28:13 -0.077313 0.0213BFGS: 17 15:28:13 -0.077826 0.0260BFGS: 18 15:28:13 -0.077903 0.0276BFGS: 19 15:28:13 -0.078018 0.0287BFGS: 20 15:28:13 -0.078580 0.0322BFGS: 21 15:28:13 -0.079551 0.0356BFGS: 22 15:28:13 -0.080990 0.0382BFGS: 23 15:28:13 -0.082891 0.0399BFGS: 24 15:28:13 -0.085214 0.0405BFGS: 25 15:28:13 -0.087933 0.0406BFGS: 26 15:28:13 -0.091045 0.0451BFGS: 27 15:28:13 -0.094577 0.0491 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":3.84,"usertime":3.71,"systime":14.51,"memmax":141620,"memavg":0} output/kim.log: --------------- 2023-09-26:15:28:13MDT * 0 * information * 0x27dcfe0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:13MDT * 1 * information * 0x27dcfe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:15:28:13MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27dcfe0'.2023-09-26:15:28:13MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:13MDT * 0 * information * 0x27dcfe0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:13MDT * 0 * information * 0x27dd440 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:13MDT * 1 * information * 0x27dd440 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x27dcfe0_Collections'.2023-09-26:15:28:13MDT * 2 * information * 0x27dcfe0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27dd440'.2023-09-26:15:28:13MDT * 3 * information * 0x27dcfe0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:13MDT * 1 * information * 0x27dcfe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:28:13MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27dcfe0'.2023-09-26:15:28:13MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:13MDT * 0 * information * 0x27dcfe0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:13MDT * 0 * information * 0x27de090 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:13MDT * 1 * information * 0x27de090 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x27dcfe0_Collections'.2023-09-26:15:28:13MDT * 2 * information * 0x27dcfe0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27de090'.2023-09-26:15:28:13MDT * 3 * information * 0x27dcfe0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:13MDT * 1 * information * 0x27dcfe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:28:13MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27dcfe0'.2023-09-26:15:28:13MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.