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: ----------------------- Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'P', 'P']representative atom coordinates = [[0.96695476 0.15410816 0.18107684] [0.28457577 0.19122103 0.93165087] [0.81005681 0.9892814 0.97428421] [0.19970671 0.4064923 0.55637687] [0.07528937 0.44125443 0.16240963] [0.95879633 0.24289308 0.6548245 ] [0.21238213 0.12166873 0.96079389] [0.94289023 0.00880932 0.95134664] [0.90949245 0.21433482 0.86394911] [0.07398407 0.37170079 0.24480673] [0.9845401 0.2611426 0.51454677] [0.89668922 0.467063 0.51802931] [0.00254017 0.12958658 0.98917998] [0.03616681 0.3813231 0.46336887]]spacegroup = 33cell = [[7.3688, 0, 0], [0, 12.253, 0], [0, 0, 7.0105]]========================================= 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":5.98,"usertime":6.56,"systime":16.45,"memmax":244164,"memavg":0} output/kim.log: --------------- 2023-11-15:16:31:25MST * 0 * information * 0x2741bc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 1 * information * 0x2741bc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-15:16:31:25MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2741bc0'.2023-11-15:16:31:25MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:25MST * 0 * information * 0x2741bc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 0 * information * 0x2742080 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 1 * information * 0x2742080 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2741bc0_Collections'.2023-11-15:16:31:25MST * 2 * information * 0x2741bc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2742080'.2023-11-15:16:31:25MST * 3 * information * 0x2741bc0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:25MST * 1 * information * 0x2741bc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:31:25MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2741bc0'.2023-11-15:16:31:25MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:25MST * 0 * information * 0x2741bc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 0 * information * 0x2743060 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 1 * information * 0x2743060 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2741bc0_Collections'.2023-11-15:16:31:25MST * 2 * information * 0x2741bc0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2743060'.2023-11-15:16:31:25MST * 3 * information * 0x2741bc0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:25MST * 1 * information * 0x2741bc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:31:25MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2741bc0'.2023-11-15:16:31:25MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.