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: 3 10:15:07 0.000000 0.007703BFGS: 4 10:15:07 0.000000 0.009244BFGS: 5 10:15:07 0.000000 0.009757BFGS: 6 10:15:07 0.000000 0.010785BFGS: 7 10:15:07 0.000000 0.011298BFGS: 8 10:15:08 0.000000 0.009757BFGS: 9 10:15:08 0.000000 0.009244BFGS: 10 10:15:08 0.000000 0.009244BFGS: 11 10:15:08 0.000000 0.011811BFGS: 12 10:15:08 0.000000 0.009758BFGS: 13 10:15:08 0.000000 0.011812BFGS: 14 10:15:08 0.000000 0.012839BFGS: 15 10:15:08 0.000000 0.012839BFGS: 16 10:15:08 0.000000 0.012838BFGS: 17 10:15:08 0.000000 0.013866BFGS: 18 10:15:08 0.000000 0.012839BFGS: 19 10:15:08 0.000000 0.014894BFGS: 20 10:15:08 0.000000 0.016947BFGS: 21 10:15:08 0.000000 0.016947BFGS: 22 10:15:08 0.000000 0.014894 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":3.97,"usertime":8.46,"systime":28.55,"memmax":131040,"memavg":0} output/kim.log: --------------- 2023-03-30:10:15:07MDT * 0 * information * 0x339e940 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:07MDT * 1 * information * 0x339e940 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-03-30:10:15:07MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x339e940'.2023-03-30:10:15:07MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:07MDT * 0 * information * 0x339e940 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:07MDT * 0 * information * 0x33a1fe0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:07MDT * 1 * information * 0x33a1fe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x339e940_Collections'.2023-03-30:10:15:07MDT * 2 * information * 0x339e940_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33a1fe0'.2023-03-30:10:15:07MDT * 3 * information * 0x339e940_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:07MDT * 1 * information * 0x339e940 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:10:15:07MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x339e940'.2023-03-30:10:15:07MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:07MDT * 0 * information * 0x339e940 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:07MDT * 0 * information * 0x339efd0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:15:07MDT * 1 * information * 0x339efd0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x339e940_Collections'.2023-03-30:10:15:07MDT * 2 * information * 0x339e940_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x339efd0'.2023-03-30:10:15:07MDT * 3 * information * 0x339e940_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:15:07MDT * 1 * information * 0x339e940 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:10:15:07MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x339e940'.2023-03-30:10:15:08MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.