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: 821 16:20:35 -184953754.209479 1703255351.264996BFGS: 822 16:20:35 -188380001.212478 1730701786.177315BFGS: 823 16:20:35 -194969784.052272 1780265717.639354BFGS: 824 16:20:35 -200580013.928613 1825758349.598181BFGS: 825 16:20:35 -204348360.742706 1857784684.521543BFGS: 826 16:20:35 -207778238.467819 1887205985.081384BFGS: 827 16:20:35 -211197280.950289 1916131836.881054BFGS: 828 16:20:35 -215449751.899795 1949584116.699681BFGS: 829 16:20:36 -220024671.217596 1982309845.607465BFGS: 830 16:20:36 -224982544.971523 2017766652.131743BFGS: 831 16:20:36 -230217688.219264 2051586325.860527BFGS: 832 16:20:36 -235524839.712759 2083174059.675500BFGS: 833 16:20:36 -241726059.141969 2123985709.781897BFGS: 834 16:20:36 -247951427.093192 2166908239.484538BFGS: 835 16:20:36 -254211092.016062 2204897767.776777BFGS: 836 16:20:37 -260830331.677593 2218045130.279104BFGS: 837 16:20:37 -266165847.125533 2260234591.756544BFGS: 838 16:20:37 -271415609.623853 2299526934.598560BFGS: 839 16:20:37 -277005457.561660 2342270875.066664BFGS: 840 16:20:38 -284821241.658223 2399680161.776368 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":98.24,"usertime":18.05,"systime":78.12,"memmax":192740,"memavg":0} output/kim.log: --------------- 2024-05-17:16:19:05CDT * 0 * information * 0x1a7dad0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:19:05CDT * 1 * information * 0x1a7dad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:16:19:05CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1a7dad0'.2024-05-17:16:19:05CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:19:05CDT * 0 * information * 0x1a7dad0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:19:05CDT * 0 * information * 0x1a7e0f0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:19:05CDT * 1 * information * 0x1a7e0f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1a7dad0_Collections'.2024-05-17:16:19:05CDT * 2 * information * 0x1a7dad0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1a7e0f0'.2024-05-17:16:19:05CDT * 3 * information * 0x1a7dad0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:19:05CDT * 1 * information * 0x1a7dad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:19:05CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1a7dad0'.2024-05-17:16:19:05CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:19:05CDT * 0 * information * 0x1a7dad0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:19:05CDT * 0 * information * 0x1a7f000 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:19:05CDT * 1 * information * 0x1a7f000 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1a7dad0_Collections'.2024-05-17:16:19:05CDT * 2 * information * 0x1a7dad0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1a7f000'.2024-05-17:16:19:05CDT * 3 * information * 0x1a7dad0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:19:05CDT * 1 * information * 0x1a7dad0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:19:05CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1a7dad0'.2024-05-17:16:20:38CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.