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 11:51:13 -299078649.691465 978669648.2659BFGS: 907 11:51:13 -302552656.640618 994363751.0376BFGS: 908 11:51:13 -305969921.813699 1010572831.3006BFGS: 909 11:51:13 -309605949.938944 1027408698.9809BFGS: 910 11:51:13 -313212952.069786 1044781131.1094BFGS: 911 11:51:13 -317040259.392058 1062854994.0244BFGS: 912 11:51:13 -320853341.506139 1081489724.3995BFGS: 913 11:51:13 -324901121.715311 1100908790.8640BFGS: 914 11:51:13 -328939211.550723 1120905613.4354BFGS: 915 11:51:13 -333236953.019251 1141786644.2185BFGS: 916 11:51:13 -337522843.052126 1163245732.8626BFGS: 917 11:51:13 -342092970.766501 1185707448.7939BFGS: 918 11:51:13 -346670574.737030 1208741579.6719BFGS: 919 11:51:13 -351468254.435400 1232785869.0625BFGS: 920 11:51:13 -356458783.131535 1257637213.2957BFGS: 921 11:51:13 -361528933.044684 1283242753.8990BFGS: 922 11:51:13 -366857652.949706 1310089947.9853BFGS: 923 11:51:13 -372282366.341283 1337676924.7429BFGS: 924 11:51:13 -378028642.200474 1366558140.3018BFGS: 925 11:51:13 -383799603.302915 1396095826.7665 output/pipeline.stderr: ----------------------- File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 156, 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":18.73,"usertime":36.25,"systime":196.45,"memmax":278764,"memavg":0} output/kim.log: --------------- 2023-07-18:11:50:59MDT * 0 * information * 0x1810c00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-18:11:50:59MDT * 1 * information * 0x1810c00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-07-18:11:50:59MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1810c00'.2023-07-18:11:50:59MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-18:11:50:59MDT * 0 * information * 0x1810c00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-18:11:50:59MDT * 0 * information * 0x1811090 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-18:11:50:59MDT * 1 * information * 0x1811090 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1810c00_Collections'.2023-07-18:11:50:59MDT * 2 * information * 0x1810c00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1811090'.2023-07-18:11:50:59MDT * 3 * information * 0x1810c00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-18:11:50:59MDT * 1 * information * 0x1810c00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-18:11:50:59MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1810c00'.2023-07-18:11:50:59MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-18:11:50:59MDT * 0 * information * 0x1810c00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-18:11:50:59MDT * 0 * information * 0x1811c00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-07-18:11:50:59MDT * 1 * information * 0x1811c00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1810c00_Collections'.2023-07-18:11:50:59MDT * 2 * information * 0x1810c00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1811c00'.2023-07-18:11:50:59MDT * 3 * information * 0x1810c00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-07-18:11:50:59MDT * 1 * information * 0x1810c00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-07-18:11:50:59MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1810c00'.2023-07-18:11:51:13MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.