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: ----------------------- 1Parameter values for parameter set 0:['5.3728', '1.0527472', '0.92179124', '108.6416', '0.77475755', '0.70971543', '0.51267053', '0.15052198', '0.77393292', '0.041369096', '0.48716754', '0.47040168', '0.30313307', '0.099947193', '0.7862093', '0.64365811', '0.97245935', '0.98791849', '0.46239171', '0.45649034', '0.35724704', '0.24558958', '0.54383764', '0.89788197', '0.73755617', '0.1401012']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0.29028457 0. 0.77475755] [0.84947802 0. 0.51267053] [0.90005281 0.5 0.30313307] [0.35634189 0.5 0.7862093 ] [0.45616236 0.24558958 0.35724704] [0.8598988 0.73755617 0.89788197] [0.9586309 0. 0.77393292] [0.52959832 0. 0.48716754] [0.01208151 0.5 0.97245935] [0.54350966 0.5 0.46239171]]spacegroup = 6cell = [[4.9526, 0, 0], [0, 5.6562, 0], [1.7174013305719, 0, 5.0909245240673]]========================================= output/pipeline.stderr: ----------------------- 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 379, in propagate self.initialise_lammps(atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 657, in initialise_lammps self.lmp.command('boundary ' + self.lammpsbc(atoms)) 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: Boundary command after simulation box is defined (src/input.cpp:1366)Command exited with non-zero status 1{"realtime":31.93,"usertime":41.20,"systime":31.92,"memmax":145948,"memavg":0} output/kim.log: --------------- 2023-04-04:14:59:15CDT * 0 * information * 0x3eba040 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:59:15CDT * 1 * information * 0x3eba040 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:14:59:15CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3eba040'.2023-04-04:14:59:15CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:59:15CDT * 0 * information * 0x3eba040 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:59:15CDT * 0 * information * 0x3eba740 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:59:15CDT * 1 * information * 0x3eba740 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3eba040_Collections'.2023-04-04:14:59:15CDT * 2 * information * 0x3eba040_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3eba740'.2023-04-04:14:59:15CDT * 3 * information * 0x3eba040_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:59:15CDT * 1 * information * 0x3eba040 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:14:59:15CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3eba040'.2023-04-04:14:59:15CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:59:15CDT * 0 * information * 0x3eba040 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:59:15CDT * 0 * information * 0x3ebbf10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:14:59:15CDT * 1 * information * 0x3ebbf10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3eba040_Collections'.2023-04-04:14:59:15CDT * 2 * information * 0x3eba040_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3ebbf10'.2023-04-04:14:59:15CDT * 3 * information * 0x3eba040_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:14:59:15CDT * 1 * information * 0x3eba040 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:14:59:15CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3eba040'.2023-04-04:14:59:15CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.