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 15:34:24 -0.060201 0.022386BFGS: 9 15:34:24 -0.062949 0.022854BFGS: 10 15:34:24 -0.065629 0.023143BFGS: 11 15:34:25 -0.068199 0.023206BFGS: 12 15:34:25 -0.070606 0.022991BFGS: 13 15:34:25 -0.072790 0.022437BFGS: 14 15:34:25 -0.074679 0.021475BFGS: 15 15:34:25 -0.076194 0.020025BFGS: 16 15:34:25 -0.077247 0.021400BFGS: 17 15:34:25 -0.077748 0.026110BFGS: 18 15:34:25 -0.077821 0.027529BFGS: 19 15:34:25 -0.077947 0.028749BFGS: 20 15:34:25 -0.078491 0.032181BFGS: 21 15:34:25 -0.079459 0.035614BFGS: 22 15:34:25 -0.080889 0.038212BFGS: 23 15:34:25 -0.082779 0.039904BFGS: 24 15:34:25 -0.085089 0.040584BFGS: 25 15:34:25 -0.087795 0.040661BFGS: 26 15:34:26 -0.090895 0.045116BFGS: 27 15:34:26 -0.094414 0.049218 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":7.18,"usertime":2.54,"systime":3.85,"memmax":135504,"memavg":0} output/kim.log: --------------- 2024-05-17:15:34:24CDT * 0 * information * 0x2817a10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:34:24CDT * 1 * information * 0x2817a10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:15:34:24CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2817a10'.2024-05-17:15:34:24CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:34:24CDT * 0 * information * 0x2817a10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:34:24CDT * 0 * information * 0x2818a80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:34:24CDT * 1 * information * 0x2818a80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2817a10_Collections'.2024-05-17:15:34:24CDT * 2 * information * 0x2817a10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2818a80'.2024-05-17:15:34:24CDT * 3 * information * 0x2817a10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:34:24CDT * 1 * information * 0x2817a10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:15:34:24CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2817a10'.2024-05-17:15:34:24CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:34:24CDT * 0 * information * 0x2817a10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:34:24CDT * 0 * information * 0x2818060 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:15:34:24CDT * 1 * information * 0x2818060 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2817a10_Collections'.2024-05-17:15:34:24CDT * 2 * information * 0x2817a10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2818060'.2024-05-17:15:34:24CDT * 3 * information * 0x2817a10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:15:34:24CDT * 1 * information * 0x2817a10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:15:34:24CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2817a10'.2024-05-17:15:34:26CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.