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: ----------------------- Parameter values for parameter set 1:['14.1557', '1.2501819', '0.36594446', '0.66018274', '0.38902952', '0.68950304', '0.88944865', '0.72727407', '0.17510359', '0.62259511', '0.67482077', '0.72861335', '0.98472657', '0.50349747', '0.76846371', '0.12257334', '0.6647878', '0.592348', '0.069434709', '0.70638341', '0.24578123', '0.76372163', '0.49500808', '0.59221949', '0.28071631', '0.20777804', '0.70402684', '0.048424607', '0.71906753', '0.29379793', '0.71065653', '0.7142764']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', 'Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0. 0.65380127 0.07689628] [0. 0.69604197 0.5771532 ] [0.72757319 0.98080995 0.54113515] [0.77204815 0.12088756 0.68234935] [0.59305535 0.07186297 0.72132696] [0.72895015 0.25693278 0.87809698] [0.59318281 0.27843408 0.22910884] [0. 0.72626998 0.27567464] [0. 0.62365751 0.77482174] [0.70459424 0.04886187 0.7462678 ] [0.29456277 0.71077861 0.66944199]]spacegroup = 36cell = [[14.0669, 0, 0], [0, 17.6619, 0], [0, 0, 5.0995]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', 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 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":5.10,"usertime":5.11,"systime":10.09,"memmax":251272,"memavg":0} output/kim.log: --------------- 2023-09-18:12:04:22MDT * 0 * information * 0x2d877c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 1 * information * 0x2d877c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-18:12:04:22MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d877c0'.2023-09-18:12:04:22MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 0 * information * 0x2d877c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 0 * information * 0x2d87c50 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 1 * information * 0x2d87c50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d877c0_Collections'.2023-09-18:12:04:22MDT * 2 * information * 0x2d877c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d87c50'.2023-09-18:12:04:22MDT * 3 * information * 0x2d877c0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 1 * information * 0x2d877c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:12:04:22MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d877c0'.2023-09-18:12:04:22MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 0 * information * 0x2d877c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 0 * information * 0x2d88c60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-18:12:04:22MDT * 1 * information * 0x2d88c60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d877c0_Collections'.2023-09-18:12:04:22MDT * 2 * information * 0x2d877c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d88c60'.2023-09-18:12:04:22MDT * 3 * information * 0x2d877c0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-18:12:04:22MDT * 1 * information * 0x2d877c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-18:12:04:22MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d877c0'.2023-09-18:12:04:22MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.