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: 906 17:01:02 -299078649.691465 978669648.2659BFGS: 907 17:01:02 -302552656.640618 994363751.0376BFGS: 908 17:01:02 -305969921.813699 1010572831.3006BFGS: 909 17:01:02 -309605949.938944 1027408698.9809BFGS: 910 17:01:02 -313212952.069786 1044781131.1094BFGS: 911 17:01:02 -317040259.392058 1062854994.0244BFGS: 912 17:01:02 -320853341.506139 1081489724.3995BFGS: 913 17:01:02 -324901121.715311 1100908790.8640BFGS: 914 17:01:02 -328939211.550723 1120905613.4354BFGS: 915 17:01:02 -333236953.019251 1141786644.2185BFGS: 916 17:01:02 -337522843.052126 1163245732.8626BFGS: 917 17:01:02 -342092970.766501 1185707448.7939BFGS: 918 17:01:02 -346670574.737030 1208741579.6719BFGS: 919 17:01:02 -351468254.435400 1232785869.0625BFGS: 920 17:01:02 -356458783.131535 1257637213.2957BFGS: 921 17:01:02 -361528933.044684 1283242753.8990BFGS: 922 17:01:03 -366857652.949706 1310089947.9853BFGS: 923 17:01:03 -372282366.341283 1337676924.7429BFGS: 924 17:01:03 -378028642.200474 1366558140.3018BFGS: 925 17:01:03 -383799603.302915 1396095826.7665 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 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":37.03,"usertime":56.14,"systime":449.69,"memmax":152248,"memavg":0} output/kim.log: --------------- 2023-09-26:17:00:30MDT * 0 * information * 0x1763460 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:17:00:30MDT * 1 * information * 0x1763460 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:17:00:30MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1763460'.2023-09-26:17:00:30MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:17:00:30MDT * 0 * information * 0x1763460 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:17:00:30MDT * 0 * information * 0x1763920 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:17:00:30MDT * 1 * information * 0x1763920 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1763460_Collections'.2023-09-26:17:00:30MDT * 2 * information * 0x1763460_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1763920'.2023-09-26:17:00:30MDT * 3 * information * 0x1763460_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:17:00:30MDT * 1 * information * 0x1763460 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:17:00:30MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1763460'.2023-09-26:17:00:30MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:17:00:30MDT * 0 * information * 0x1763460 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:17:00:30MDT * 0 * information * 0x17645c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:17:00:30MDT * 1 * information * 0x17645c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1763460_Collections'.2023-09-26:17:00:30MDT * 2 * information * 0x1763460_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x17645c0'.2023-09-26:17:00:30MDT * 3 * information * 0x1763460_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:17:00:30MDT * 1 * information * 0x1763460 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:17:00:30MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1763460'.2023-09-26:17:01:03MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.