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: ----------------------- Failed to perform relaxation using initial lattice constant guess of 9.0 AngstromsException message:ERROR on proc 0: Trying to free the already free()'d pointer: list:three_bodies (src/REAXFF/reaxff_Attempting to perform relaxation using initial lattice constant guess of 9.5 AngstromsFailed to perform relaxation using initial lattice constant guess of 9.5 AngstromsException message:ERROR on proc 0: Failed to allocate 52050700992 bytes for array list:three_bodies (src/REAXFF/reaxfAttempting to perform relaxation using initial lattice constant guess of 10.0 AngstromsFailed to perform relaxation using initial lattice constant guess of 10.0 AngstromsException message:ERROR on proc 0: Trying to free the already free()'d pointer: list:three_bodies (src/REAXFF/reaxff_ output/pipeline.stderr: ----------------------- 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: Trying to free the already free()'d pointer: list:three_bodies (src/REAXFF/reaxff_During handling of the above exception, another exception occurred:Traceback (most recent call last): File "../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 253, in aopt, eopt, info = get_lattice_constant( File "../../td/LatticeConstantCubicEnergy__TD_475411767977_007/runner", line 166, in get_lattice_constant raise RuntimeError(RuntimeError: Exceeded maximum of 10.0 for initial lattice constant guess for relaxationCommand exited with non-zero status 1{"realtime":20.34,"usertime":22.08,"systime":42.00,"memmax":520036,"memavg":0} output/kim.log: --------------- 2023-06-13:15:48:37CDT * 0 * information * 0x3af0800 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-06-13:15:48:37CDT * 1 * information * 0x3af0800 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-06-13:15:48:37CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3af0800'.2023-06-13:15:48:37CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-06-13:15:48:37CDT * 0 * information * 0x3af0800 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-06-13:15:48:37CDT * 0 * information * 0x3baf8b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-06-13:15:48:37CDT * 1 * information * 0x3baf8b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3af0800_Collections'.2023-06-13:15:48:37CDT * 2 * information * 0x3af0800_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3baf8b0'.2023-06-13:15:48:37CDT * 3 * information * 0x3af0800_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-06-13:15:48:37CDT * 1 * information * 0x3af0800 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-06-13:15:48:37CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3af0800'.2023-06-13:15:48:37CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-06-13:15:48:37CDT * 0 * information * 0x3af0800 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-06-13:15:48:37CDT * 0 * information * 0x3b4ee00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-06-13:15:48:37CDT * 1 * information * 0x3b4ee00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3af0800_Collections'.2023-06-13:15:48:37CDT * 2 * information * 0x3af0800_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b4ee00'.2023-06-13:15:48:37CDT * 3 * information * 0x3af0800_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-06-13:15:48:37CDT * 1 * information * 0x3af0800 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-06-13:15:48:37CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3af0800'.2023-06-13:15:48:43CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.