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: 11 15:22:17 -34.345330 11.0747BFGS: 12 15:22:17 -34.732325 3.5496BFGS: 13 15:22:17 -34.795860 2.1396BFGS: 14 15:22:17 -34.666788 10.3175BFGS: 15 15:22:17 -34.803213 0.2749BFGS: 16 15:22:17 -34.803717 0.1626BFGS: 17 15:22:17 -34.805034 0.6086BFGS: 18 15:22:17 -34.808650 1.5704BFGS: 19 15:22:17 -34.814159 2.3969BFGS: 20 15:22:17 -34.820187 2.9722BFGS: 21 15:22:17 -34.826625 3.4303BFGS: 22 15:22:17 -34.833334 3.8254BFGS: 23 15:22:17 -34.840222 4.1802BFGS: 24 15:22:17 -34.847230 4.5033BFGS: 25 15:22:17 -34.854311 4.7983BFGS: 26 15:22:17 -34.861415 5.0661BFGS: 27 15:22:17 -34.868490 5.3061BFGS: 28 15:22:18 -34.875481 5.5165BFGS: 29 15:22:18 -34.882327 5.6941BFGS: 30 15:22:18 -34.888972 5.8336 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":4.82,"usertime":5.17,"systime":12.93,"memmax":165488,"memavg":0} output/kim.log: --------------- 2023-09-26:15:22:16MDT * 0 * information * 0x2e98e80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:22:16MDT * 1 * information * 0x2e98e80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:15:22:16MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e98e80'.2023-09-26:15:22:16MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:22:16MDT * 0 * information * 0x2e98e80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:22:16MDT * 0 * information * 0x2e9a240 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:22:16MDT * 1 * information * 0x2e9a240 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2e98e80_Collections'.2023-09-26:15:22:16MDT * 2 * information * 0x2e98e80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e9a240'.2023-09-26:15:22:16MDT * 3 * information * 0x2e98e80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:22:16MDT * 1 * information * 0x2e98e80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:22:16MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e98e80'.2023-09-26:15:22:16MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:22:16MDT * 0 * information * 0x2e98e80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:22:16MDT * 0 * information * 0x2e99300 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:15:22:16MDT * 1 * information * 0x2e99300 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2e98e80_Collections'.2023-09-26:15:22:16MDT * 2 * information * 0x2e98e80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e99300'.2023-09-26:15:22:16MDT * 3 * information * 0x2e98e80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:15:22:16MDT * 1 * information * 0x2e98e80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:15:22:16MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2e98e80'.2023-09-26:15:22:18MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.