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 10:09:22 0.000000 0.011549BFGS: 22 10:09:22 0.000000 0.012832BFGS: 23 10:09:22 0.000000 0.012831BFGS: 24 10:09:22 0.000000 0.014116BFGS: 25 10:09:22 0.000000 0.011548BFGS: 26 10:09:22 0.000000 0.010266BFGS: 27 10:09:22 0.000000 0.011549BFGS: 28 10:09:22 0.000000 0.013473BFGS: 29 10:09:22 0.000000 0.014115BFGS: 30 10:09:22 0.000000 0.014115BFGS: 31 10:09:22 0.000000 0.015398BFGS: 32 10:09:22 0.000000 0.012833BFGS: 33 10:09:22 0.000000 0.014115BFGS: 34 10:09:22 0.000000 0.014115BFGS: 35 10:09:22 0.000000 0.016040BFGS: 36 10:09:22 0.000000 0.016040BFGS: 37 10:09:23 0.000000 0.016682BFGS: 38 10:09:23 0.000000 0.015398BFGS: 39 10:09:23 0.000000 0.016681BFGS: 40 10:09:23 0.000000 0.015398 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":5.05,"usertime":10.17,"systime":30.77,"memmax":137816,"memavg":0} output/kim.log: --------------- 2023-03-30:10:09:21MDT * 0 * information * 0x27006a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:09:21MDT * 1 * information * 0x27006a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-03-30:10:09:21MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27006a0'.2023-03-30:10:09:21MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:09:21MDT * 0 * information * 0x27006a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:09:21MDT * 0 * information * 0x2701a20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:09:21MDT * 1 * information * 0x2701a20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x27006a0_Collections'.2023-03-30:10:09:21MDT * 2 * information * 0x27006a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2701a20'.2023-03-30:10:09:21MDT * 3 * information * 0x27006a0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:09:21MDT * 1 * information * 0x27006a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:10:09:21MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27006a0'.2023-03-30:10:09:21MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:09:21MDT * 0 * information * 0x27006a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:09:21MDT * 0 * information * 0x2700b50 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-03-30:10:09:21MDT * 1 * information * 0x2700b50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x27006a0_Collections'.2023-03-30:10:09:21MDT * 2 * information * 0x27006a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2700b50'.2023-03-30:10:09:21MDT * 3 * information * 0x27006a0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-03-30:10:09:21MDT * 1 * information * 0x27006a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-03-30:10:09:21MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x27006a0'.2023-03-30:10:09:23MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.