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: ----------------------- ['7.1884', '1.8616799', '1.158255', '117.4578', '0.76221936', '0.27423446', '0.70554927', '0.0070771222', '0.38226608', '0.25451781', '0.77110578', '0.3700638', '0.42357297', '0.41866296', '0.34883039', '0.44604467', '0.21676871', '0.38840228', '0.74774641', '0.72348784', '0.4681005', '0.67919019', '0.59796136', '0.40344336', '0.06524392', '0.2433188', '0.39123386', '0.092092399', '0.67302493', '0.3660272', '0.56372506', '0.34112115', '0.39683084', '0.95387154', '0.23639768', '0.41349573', '0.28337999', '0.78897628', '0.34491075', '0.24237612']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', 'O', 'O', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0.55824317 0.35479622 0.32877701] [0.52122338 0.36975722 0.9436477 ] [0.2625765 0.46156228 0.48140358] [0.23684894 0.4614179 0.01834621] [0.97814569 0.36927934 0.55490109] [0.9413763 0.35480579 0.16991004] [0.25001271 0.24992684 0.99883404] [0.74969795 0.36912537 0.74938009] [0.39241337 0.35742985 0.07277963] [0.10711652 0.35744154 0.42579315] [0.74320384 0.40847231 0.96016712] [0.75649066 0.40828516 0.53871866]]spacegroup = 14cell = [[7.2703, 0, 0], [0, 12.5162, 0], [-3.6395224915884, 0, 6.2724739651291]]========================================= 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":73.02,"usertime":78.09,"systime":38.41,"memmax":234028,"memavg":0} output/kim.log: --------------- 2023-04-04:15:03:34CDT * 0 * information * 0x33818e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:03:34CDT * 1 * information * 0x33818e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:15:03:34CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33818e0'.2023-04-04:15:03:34CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:03:34CDT * 0 * information * 0x33818e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:03:34CDT * 0 * information * 0x3381fe0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:03:34CDT * 1 * information * 0x3381fe0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x33818e0_Collections'.2023-04-04:15:03:34CDT * 2 * information * 0x33818e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3381fe0'.2023-04-04:15:03:34CDT * 3 * information * 0x33818e0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:03:34CDT * 1 * information * 0x33818e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:15:03:34CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33818e0'.2023-04-04:15:03:34CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:03:34CDT * 0 * information * 0x33818e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:03:34CDT * 0 * information * 0x3383800 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:03:34CDT * 1 * information * 0x3383800 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x33818e0_Collections'.2023-04-04:15:03:34CDT * 2 * information * 0x33818e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3383800'.2023-04-04:15:03:34CDT * 3 * information * 0x33818e0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:03:34CDT * 1 * information * 0x33818e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:15:03:34CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x33818e0'.2023-04-04:15:03:35CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.