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: 869 16:11:02 -33207802751.049713 260040726724.338959BFGS: 870 16:11:02 -33869471105.189800 269073235780.561157BFGS: 871 16:11:03 -35785340004.514893 295706499345.049194BFGS: 872 16:11:03 -39650910582.362892 342510803711.365662BFGS: 873 16:11:03 -44509179190.228928 409358808340.185669BFGS: 874 16:11:03 -49623621244.158928 481789257070.263184BFGS: 875 16:11:03 -54991860841.116440 563099998887.819580BFGS: 876 16:11:03 -58029512592.719116 609436067135.894653BFGS: 877 16:11:03 -62678905041.020042 677490379370.766968BFGS: 878 16:11:03 -67065664719.555717 742051584132.373535BFGS: 879 16:11:03 -73703199920.246460 840800461477.608521BFGS: 880 16:11:03 -82429367037.063019 976527250008.728760BFGS: 881 16:11:03 -94755380603.244659 1175937556568.918701BFGS: 882 16:11:03 -104511705247.084824 1346866854339.730469BFGS: 883 16:11:03 -114362995231.665237 1511398584451.964600BFGS: 884 16:11:03 -121702473438.451538 1652920563762.915039BFGS: 885 16:11:03 -129693542608.177872 1791552332911.323730BFGS: 886 16:11:03 -136981885794.666046 1925124402830.146240BFGS: 887 16:11:03 -144232367787.682343 2057536290266.705811BFGS: 888 16:11:03 -151351243816.123077 2189615628055.709473 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_half_bin_newton_tri.cpp:Command exited with non-zero status 1{"realtime":41.27,"usertime":87.55,"systime":462.53,"memmax":275164,"memavg":0} output/kim.log: --------------- 2024-05-17:16:10:27MDT * 0 * information * 0x31cbcf0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:10:27MDT * 1 * information * 0x31cbcf0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:16:10:27MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31cbcf0'.2024-05-17:16:10:27MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:10:27MDT * 0 * information * 0x31cbcf0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:10:27MDT * 0 * information * 0x31cc0d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:10:27MDT * 1 * information * 0x31cc0d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x31cbcf0_Collections'.2024-05-17:16:10:27MDT * 2 * information * 0x31cbcf0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31cc0d0'.2024-05-17:16:10:27MDT * 3 * information * 0x31cbcf0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:10:27MDT * 1 * information * 0x31cbcf0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:10:27MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31cbcf0'.2024-05-17:16:10:27MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:10:27MDT * 0 * information * 0x31cbcf0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:10:27MDT * 0 * information * 0x31ccc10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:10:27MDT * 1 * information * 0x31ccc10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x31cbcf0_Collections'.2024-05-17:16:10:27MDT * 2 * information * 0x31cbcf0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31ccc10'.2024-05-17:16:10:27MDT * 3 * information * 0x31cbcf0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:10:27MDT * 1 * information * 0x31cbcf0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:10:27MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x31cbcf0'.2024-05-17:16:11:04MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.