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: 757 16:36:55 -663436923049.695801 2835200304030.685059BFGS: 758 16:36:55 -664468833717.814209 2840010733339.309570BFGS: 759 16:36:55 -665650636917.675293 2845539405303.090332BFGS: 760 16:36:55 -666651491824.890137 2850205580582.056152BFGS: 761 16:36:55 -667779173923.211182 2855484070470.314453BFGS: 762 16:36:55 -668752267808.684326 2860021220626.494629BFGS: 763 16:36:55 -669831734046.010742 2865076954319.990234BFGS: 764 16:36:55 -670781389571.429443 2869505141201.474609BFGS: 765 16:36:56 -671818162988.615601 2874363778189.524414BFGS: 766 16:36:56 -672749341088.289917 2878706086534.941406BFGS: 767 16:36:56 -673751455769.693726 2883405070802.256836BFGS: 768 16:36:56 -674672025240.950562 2887698200163.643555BFGS: 769 16:36:56 -675648792987.890503 2892280991251.562012BFGS: 770 16:36:56 -676567306741.085327 2896564894275.789062BFGS: 771 16:36:56 -677529421618.654785 2901081460293.462402BFGS: 772 16:36:56 -678457336631.279053 2905409703323.717773BFGS: 773 16:36:56 -679417043168.695557 2909917316183.966309BFGS: 774 16:36:56 -680367351350.450439 2914350704582.304199BFGS: 775 16:36:56 -681337907562.410400 2918911423480.826660BFGS: 776 16:36:56 -682325862923.652222 2923521405743.609375 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":53.65,"usertime":15.09,"systime":56.01,"memmax":163352,"memavg":0} output/kim.log: --------------- 2024-05-17:16:36:08CDT * 0 * information * 0x32cf590 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:36:08CDT * 1 * information * 0x32cf590 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:16:36:08CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32cf590'.2024-05-17:16:36:08CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:36:08CDT * 0 * information * 0x32cf590 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:36:08CDT * 0 * information * 0x32cfb50 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:36:08CDT * 1 * information * 0x32cfb50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x32cf590_Collections'.2024-05-17:16:36:08CDT * 2 * information * 0x32cf590_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32cfb50'.2024-05-17:16:36:08CDT * 3 * information * 0x32cf590_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:36:08CDT * 1 * information * 0x32cf590 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:36:08CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32cf590'.2024-05-17:16:36:08CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:36:08CDT * 0 * information * 0x32cf590 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:36:08CDT * 0 * information * 0x32d0b70 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:36:08CDT * 1 * information * 0x32d0b70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x32cf590_Collections'.2024-05-17:16:36:08CDT * 2 * information * 0x32cf590_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32d0b70'.2024-05-17:16:36:08CDT * 3 * information * 0x32cf590_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:36:08CDT * 1 * information * 0x32cf590 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:36:08CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x32cf590'.2024-05-17:16:36:56CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.