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: 20 12:51:16 -103.139497 0.181300BFGS: 21 12:51:17 -103.143561 0.177361BFGS: 22 12:51:18 -103.167836 0.122669BFGS: 23 12:51:18 -103.183429 0.122214BFGS: 24 12:51:19 -103.194632 0.090889BFGS: 25 12:51:20 -103.200731 0.038603BFGS: 26 12:51:20 -103.201385 0.030441BFGS: 27 12:51:21 -103.201487 0.024797BFGS: 28 12:51:22 -103.201512 0.024528BFGS: 29 12:51:22 -103.201788 0.022073BFGS: 30 12:51:23 -103.202204 0.018556BFGS: 31 12:51:24 -103.203053 0.019331BFGS: 32 12:51:24 -103.203901 0.015815BFGS: 33 12:51:25 -103.204297 0.006172BFGS: 34 12:51:26 -103.204352 0.001271BFGS: 35 12:51:26 -103.204357 0.000247BFGS: 36 12:51:27 -103.204357 0.000020BFGS: 37 12:51:28 -103.204357 0.000002BFGS: 38 12:51:28 -103.204357 0.000000BFGS: 39 12:51:29 -103.204357 0.000000 output/pipeline.stderr: ----------------------- energy_per_atom = single_atom.get_potential_energy() File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 730, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 24, in get_potential_energy return self.get_property(name, 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: Failed to allocate 468048 bytes for array pair:u2r (src/memory.cpp:66)Last commanCommand exited with non-zero status 1{"realtime":61.36,"usertime":152.94,"systime":522.32,"memmax":296516,"memavg":0} output/kim.log: --------------- 2023-05-08:12:51:29CDT * 1 * information * 0x322d510 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-08:12:51:29CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x322d510'.2023-05-08:12:51:29CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:12:51:29CDT * 0 * information * 0x322d510 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:12:51:29CDT * 0 * information * 0x23ec2d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:12:51:29CDT * 1 * information * 0x23ec2d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x322d510_Collections'.2023-05-08:12:51:29CDT * 2 * information * 0x322d510_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23ec2d0'.2023-05-08:12:51:29CDT * 3 * information * 0x322d510_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:12:51:29CDT * 1 * information * 0x322d510 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:12:51:29CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x322d510'.2023-05-08:12:51:29CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:12:51:29CDT * 0 * information * 0x322d510 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:12:51:29CDT * 0 * information * 0x23ec2d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-08:12:51:29CDT * 1 * information * 0x23ec2d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x322d510_Collections'.2023-05-08:12:51:29CDT * 2 * information * 0x322d510_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23ec2d0'.2023-05-08:12:51:29CDT * 3 * information * 0x322d510_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:12:51:29CDT * 1 * information * 0x322d510 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-08:12:51:29CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x322d510'.2023-05-08:12:51:30CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-08:12:51:30CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.