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: ----------------------- FIRE: 32 15:34:49 -3069.635118* 0.0048FIRE: 33 15:34:49 -3069.635121* 0.0047FIRE: 34 15:34:49 -3069.635124* 0.0045FIRE: 35 15:34:49 -3069.635128* 0.0043FIRE: 36 15:34:49 -3069.635133* 0.0040FIRE: 37 15:34:49 -3069.635137* 0.0037FIRE: 38 15:34:49 -3069.635143* 0.0034FIRE: 39 15:34:49 -3069.635149* 0.0029FIRE: 40 15:34:50 -3069.635155* 0.0024FIRE: 41 15:34:50 -3069.635162* 0.0018FIRE: 42 15:34:50 -3069.635168* 0.0015FIRE: 43 15:34:50 -3069.635174* 0.0016FIRE: 44 15:34:50 -3069.635179* 0.0016FIRE: 45 15:34:50 -3069.635185* 0.0018FIRE: 46 15:34:50 -3069.635191* 0.0019FIRE: 47 15:34:50 -3069.635198* 0.0016FIRE: 48 15:34:51 -3069.635205* 0.0011FIRE: 49 15:34:51 -3069.635210* 0.0006Relaxation Completed. Steps: 49Cell Size Relaxation... output/pipeline.stderr: ----------------------- enAtomsWithVacancy = atoms.get_potential_energy() File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 731, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 709, in get_potential_energy energy = self.get_property('energy', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, 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: Not enough space for bonds! total=268380 allocated=266856 (src/REAXFF/reaxff_reseCommand exited with non-zero status 1{"realtime":368.03,"usertime":3967.66,"systime":16368.94,"memmax":252332,"memavg":0} output/kim.log: --------------- 2023-09-20:15:28:46MDT * 0 * information * 0x3384850 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-20:15:28:46MDT * 1 * information * 0x3384850 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-20:15:28:46MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3384850'.2023-09-20:15:28:46MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:28:46MDT * 0 * information * 0x3384850 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-20:15:28:46MDT * 0 * information * 0x33859a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-20:15:28:46MDT * 1 * information * 0x33859a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3384850_Collections'.2023-09-20:15:28:46MDT * 2 * information * 0x3384850_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33859a0'.2023-09-20:15:28:46MDT * 3 * information * 0x3384850_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:28:46MDT * 1 * information * 0x3384850 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-20:15:28:46MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3384850'.2023-09-20:15:28:46MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:28:46MDT * 0 * information * 0x3384850 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-20:15:28:46MDT * 0 * information * 0x3384c80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-20:15:28:46MDT * 1 * information * 0x3384c80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3384850_Collections'.2023-09-20:15:28:46MDT * 2 * information * 0x3384850_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3384c80'.2023-09-20:15:28:46MDT * 3 * information * 0x3384850_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:28:46MDT * 1 * information * 0x3384850 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-20:15:28:46MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3384850'.2023-09-20:15:34:52MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.