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: 2 10:15:06 0.000000 0.001241BFGS: 3 10:15:06 0.000000 0.001241BFGS: 4 10:15:06 0.000000 0.001533BFGS: 5 10:15:06 0.000000 0.001460BFGS: 6 10:15:06 0.000000 0.001533BFGS: 7 10:15:06 0.000000 0.001314BFGS: 8 10:15:06 0.000000 0.001314BFGS: 9 10:15:06 0.000000 0.001679BFGS: 10 10:15:06 0.000000 0.001679BFGS: 11 10:15:06 0.000000 0.001679BFGS: 12 10:15:06 0.000000 0.001825BFGS: 13 10:15:06 0.000000 0.001825BFGS: 14 10:15:06 0.000000 0.001679BFGS: 15 10:15:06 0.000000 0.001825BFGS: 16 10:15:06 0.000000 0.001898BFGS: 17 10:15:06 0.000000 0.001971BFGS: 18 10:15:06 0.000000 0.002263BFGS: 19 10:15:06 0.000000 0.002409BFGS: 20 10:15:06 0.000000 0.002190BFGS: 21 10:15:06 0.000000 0.002409 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 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 500, 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_full_bin_atomonly.cpp:87Command exited with non-zero status 1{"realtime":3.78,"usertime":7.29,"systime":25.73,"memmax":130604,"memavg":0} output/kim.log: --------------- 2023-03-30:10:15:06MDT * 0 * information * 0x3618640 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:06MDT * 1 * information * 0x3618640 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-03-30:10:15:06MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3618640'.2023-03-30:10:15:06MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:06MDT * 0 * information * 0x3618640 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:06MDT * 0 * information * 0x36199f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:06MDT * 1 * information * 0x36199f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3618640_Collections'.2023-03-30:10:15:06MDT * 2 * information * 0x3618640_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x36199f0'.2023-03-30:10:15:06MDT * 3 * information * 0x3618640_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:06MDT * 1 * information * 0x3618640 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:10:15:06MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3618640'.2023-03-30:10:15:06MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:06MDT * 0 * information * 0x3618640 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:06MDT * 0 * information * 0x3618ab0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:06MDT * 1 * information * 0x3618ab0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3618640_Collections'.2023-03-30:10:15:06MDT * 2 * information * 0x3618640_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3618ab0'.2023-03-30:10:15:06MDT * 3 * information * 0x3618640_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:06MDT * 1 * information * 0x3618640 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:10:15:06MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3618640'.2023-03-30:10:15:06MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.