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 15:28:14 -0.060201 0.0224BFGS: 9 15:28:14 -0.062949 0.0229BFGS: 10 15:28:14 -0.065629 0.0231BFGS: 11 15:28:14 -0.068199 0.0232BFGS: 12 15:28:14 -0.070606 0.0230BFGS: 13 15:28:14 -0.072790 0.0224BFGS: 14 15:28:14 -0.074679 0.0215BFGS: 15 15:28:14 -0.076194 0.0200BFGS: 16 15:28:14 -0.077247 0.0214BFGS: 17 15:28:14 -0.077748 0.0261BFGS: 18 15:28:14 -0.077821 0.0275BFGS: 19 15:28:14 -0.077947 0.0287BFGS: 20 15:28:14 -0.078491 0.0322BFGS: 21 15:28:14 -0.079459 0.0356BFGS: 22 15:28:14 -0.080889 0.0382BFGS: 23 15:28:14 -0.082779 0.0399BFGS: 24 15:28:14 -0.085089 0.0406BFGS: 25 15:28:14 -0.087795 0.0407BFGS: 26 15:28:14 -0.090895 0.0451BFGS: 27 15:28:14 -0.094414 0.0492 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":3.65,"usertime":6.38,"systime":22.69,"memmax":147232,"memavg":0} output/kim.log: --------------- 2023-09-26:15:28:14MDT * 0 * information * 0x33f2f10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 1 * information * 0x33f2f10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:15:28:14MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33f2f10'.2023-09-26:15:28:14MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 0 * information * 0x33f2f10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 0 * information * 0x33f3e90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 1 * information * 0x33f3e90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x33f2f10_Collections'.2023-09-26:15:28:14MDT * 2 * information * 0x33f2f10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33f3e90'.2023-09-26:15:28:14MDT * 3 * information * 0x33f2f10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 1 * information * 0x33f2f10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:28:14MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33f2f10'.2023-09-26:15:28:14MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 0 * information * 0x33f2f10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 0 * information * 0x33f3370 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:28:14MDT * 1 * information * 0x33f3370 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x33f2f10_Collections'.2023-09-26:15:28:14MDT * 2 * information * 0x33f2f10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33f3370'.2023-09-26:15:28:14MDT * 3 * information * 0x33f2f10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:28:14MDT * 1 * information * 0x33f2f10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:28:14MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33f2f10'.2023-09-26:15:28:14MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.