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: ----------------------- A_cI82_217_acghParameter names:['a', 'x2', 'x3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['12.484', '0.60872638', '0.067937819', '0.29127613', '0.022996208', '0.36892608', '0.23626523']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Si', 'Si', 'Si', 'Si']representative atom coordinates = [[0. 0. 0. ] [0.10872638 0.10872638 0.10872638] [0.06793782 0.06793782 0.29127613] [0.52299621 0.86892608 0.73626523]]spacegroup = 217cell = [[12.484, 0, 0], [0, 12.484, 0], [0, 0, 12.484]]========================================= 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":15.25,"usertime":17.21,"systime":19.86,"memmax":156432,"memavg":0} output/kim.log: --------------- 2023-04-24:16:30:25MDT * 0 * information * 0x3fe6b00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:16:30:25MDT * 1 * information * 0x3fe6b00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-24:16:30:25MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3fe6b00'.2023-04-24:16:30:25MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:16:30:25MDT * 0 * information * 0x3fe6b00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:16:30:25MDT * 0 * information * 0x3fe6fc0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:16:30:25MDT * 1 * information * 0x3fe6fc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3fe6b00_Collections'.2023-04-24:16:30:25MDT * 2 * information * 0x3fe6b00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3fe6fc0'.2023-04-24:16:30:25MDT * 3 * information * 0x3fe6b00_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:16:30:25MDT * 1 * information * 0x3fe6b00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:16:30:25MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3fe6b00'.2023-04-24:16:30:25MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:16:30:25MDT * 0 * information * 0x3fe6b00 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:16:30:25MDT * 0 * information * 0x3fe7fd0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:16:30:25MDT * 1 * information * 0x3fe7fd0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3fe6b00_Collections'.2023-04-24:16:30:25MDT * 2 * information * 0x3fe6b00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3fe7fd0'.2023-04-24:16:30:25MDT * 3 * information * 0x3fe6b00_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:16:30:25MDT * 1 * information * 0x3fe6b00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:16:30:25MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3fe6b00'.2023-04-24:16:30:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.