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: 21 11:11:09 0.000000 0.001642BFGS: 22 11:11:09 0.000000 0.001824BFGS: 23 11:11:10 0.000000 0.001824BFGS: 24 11:11:10 0.000000 0.002006BFGS: 25 11:11:10 0.000000 0.001641BFGS: 26 11:11:11 0.000000 0.001459BFGS: 27 11:11:11 0.000000 0.001641BFGS: 28 11:11:11 0.000000 0.001824BFGS: 29 11:11:12 0.000000 0.001824BFGS: 30 11:11:12 0.000000 0.002006BFGS: 31 11:11:12 0.000000 0.002189BFGS: 32 11:11:13 0.000000 0.001824BFGS: 33 11:11:13 0.000000 0.002006BFGS: 34 11:11:13 0.000000 0.002006BFGS: 35 11:11:13 0.000000 0.002280BFGS: 36 11:11:14 0.000000 0.002280BFGS: 37 11:11:14 0.000000 0.002371BFGS: 38 11:11:14 0.000000 0.002189BFGS: 39 11:11:15 0.000000 0.002371BFGS: 40 11:11:15 0.000000 0.002371 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":30.78,"usertime":50.02,"systime":76.86,"memmax":124876,"memavg":0} output/kim.log: --------------- 2023-03-30:11:11:03CDT * 0 * information * 0x259f070 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:11:11:03CDT * 1 * information * 0x259f070 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-03-30:11:11:03CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x259f070'.2023-03-30:11:11:03CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:11:11:03CDT * 0 * information * 0x259f070 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:11:11:03CDT * 0 * information * 0x25a0900 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:11:11:03CDT * 1 * information * 0x25a0900 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x259f070_Collections'.2023-03-30:11:11:03CDT * 2 * information * 0x259f070_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x25a0900'.2023-03-30:11:11:03CDT * 3 * information * 0x259f070_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:11:11:03CDT * 1 * information * 0x259f070 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:11:11:03CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x259f070'.2023-03-30:11:11:03CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:11:11:03CDT * 0 * information * 0x259f070 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:11:11:03CDT * 0 * information * 0x259f750 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:11:11:03CDT * 1 * information * 0x259f750 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x259f070_Collections'.2023-03-30:11:11:03CDT * 2 * information * 0x259f070_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x259f750'.2023-03-30:11:11:03CDT * 3 * information * 0x259f070_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:11:11:03CDT * 1 * information * 0x259f070 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:11:11:03CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x259f070'.2023-03-30:11:11:15CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.