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: 446 16:30:23 -521716.997497 7567571.988182BFGS: 447 16:30:23 -540638.315590 7899175.684014BFGS: 448 16:30:23 -562199.168236 8230471.074007BFGS: 449 16:30:23 -591860.756951 8744333.763397BFGS: 450 16:30:23 -623632.561914 9193988.993828BFGS: 451 16:30:23 -658821.968192 9534584.052974BFGS: 452 16:30:23 -708412.243876 10143324.668538BFGS: 453 16:30:23 -758422.115621 10967946.604221BFGS: 454 16:30:23 -838278.410607 11995964.215575BFGS: 455 16:30:23 -926619.046133 11631057.804277BFGS: 456 16:30:23 -965447.415204 11821406.412606BFGS: 457 16:30:23 -997907.478301 12138398.039619BFGS: 458 16:30:23 -1029856.419998 12520923.670699BFGS: 459 16:30:23 -1063915.119053 12882761.231486BFGS: 460 16:30:23 -1100047.530850 13182434.597259BFGS: 461 16:30:23 -1138205.416273 13390744.792267BFGS: 462 16:30:23 -1178984.632788 13512500.853873BFGS: 463 16:30:23 -1222891.886131 13610697.857245BFGS: 464 16:30:24 -1271071.885085 13814059.097600BFGS: 465 16:30:24 -1327684.898426 14315898.279295 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":15.29,"usertime":6.05,"systime":9.55,"memmax":153904,"memavg":0} output/kim.log: --------------- 2024-05-17:16:30:14CDT * 0 * information * 0x1ce4ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:30:14CDT * 1 * information * 0x1ce4ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:16:30:14CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ce4ed0'.2024-05-17:16:30:14CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:30:14CDT * 0 * information * 0x1ce4ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:30:14CDT * 0 * information * 0x1ce5490 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:30:14CDT * 1 * information * 0x1ce5490 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1ce4ed0_Collections'.2024-05-17:16:30:14CDT * 2 * information * 0x1ce4ed0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ce5490'.2024-05-17:16:30:14CDT * 3 * information * 0x1ce4ed0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:30:14CDT * 1 * information * 0x1ce4ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:30:14CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ce4ed0'.2024-05-17:16:30:14CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:30:14CDT * 0 * information * 0x1ce4ed0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:30:14CDT * 0 * information * 0x1ce6450 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:16:30:14CDT * 1 * information * 0x1ce6450 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1ce4ed0_Collections'.2024-05-17:16:30:14CDT * 2 * information * 0x1ce4ed0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ce6450'.2024-05-17:16:30:14CDT * 3 * information * 0x1ce4ed0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:16:30:14CDT * 1 * information * 0x1ce4ed0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:16:30:14CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ce4ed0'.2024-05-17:16:30:24CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.