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: 21 16:12:40 0.000000 0.001641BFGS: 22 16:12:40 0.000000 0.001824BFGS: 23 16:12:40 0.000000 0.001824BFGS: 24 16:12:40 0.000000 0.001824BFGS: 25 16:12:40 0.000000 0.001641BFGS: 26 16:12:40 0.000000 0.001641BFGS: 27 16:12:40 0.000000 0.001641BFGS: 28 16:12:41 0.000000 0.001915BFGS: 29 16:12:41 0.000000 0.002006BFGS: 30 16:12:41 0.000000 0.001824BFGS: 31 16:12:41 0.000000 0.002189BFGS: 32 16:12:41 0.000000 0.001824BFGS: 33 16:12:41 0.000000 0.002006BFGS: 34 16:12:41 0.000000 0.002006BFGS: 35 16:12:41 0.000000 0.002280BFGS: 36 16:12:41 0.000000 0.002280BFGS: 37 16:12:41 0.000000 0.002371BFGS: 38 16:12:41 0.000000 0.002189BFGS: 39 16:12:41 0.000000 0.002371BFGS: 40 16:12:41 0.000000 0.002371 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 on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin_atomonly.cpp:87Command exited with non-zero status 1{"realtime":8.15,"usertime":4.04,"systime":7.50,"memmax":142320,"memavg":0} output/kim.log: --------------- 2024-05-13:16:12:39CDT * 0 * information * 0x2092540 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-13:16:12:39CDT * 1 * information * 0x2092540 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-13:16:12:39CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2092540'.2024-05-13:16:12:39CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-13:16:12:39CDT * 0 * information * 0x2092540 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-13:16:12:39CDT * 0 * information * 0x2093580 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-13:16:12:39CDT * 1 * information * 0x2093580 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2092540_Collections'.2024-05-13:16:12:39CDT * 2 * information * 0x2092540_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2093580'.2024-05-13:16:12:39CDT * 3 * information * 0x2092540_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-13:16:12:39CDT * 1 * information * 0x2092540 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-13:16:12:39CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2092540'.2024-05-13:16:12:39CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-13:16:12:39CDT * 0 * information * 0x2092540 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-13:16:12:39CDT * 0 * information * 0x2092bb0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-13:16:12:39CDT * 1 * information * 0x2092bb0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2092540_Collections'.2024-05-13:16:12:39CDT * 2 * information * 0x2092540_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2092bb0'.2024-05-13:16:12:39CDT * 3 * information * 0x2092540_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-13:16:12:39CDT * 1 * information * 0x2092540 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-13:16:12:39CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2092540'.2024-05-13:16:12:42CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.