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: ----------------------- standardnumber of parameter sets:1Parameter values for parameter set 0:['12.8269', '0.37581957', '0.93716331', '152.7221', '0.48773357', '0.12943675', '0.30807686', '0.27492433', '0.42737562', '0.21588563', '0.12717954', '0.48957951', '0.80085366', '0.28168549', '0.67776853', '0.022341406', '0.33073697', '0.099208591', '0.19704195', '0.27714843', '0.63041227', '0.23165785', '0.95103879', '0.85850568', '0.82805871', '0.21231016', '0.81083452', '0.06613482']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'H', 'H', 'O', 'O', 'O', 'O', 'P']representative atom coordinates = [[0.51226643 0.12943675 0.17965671] [0.72507567 0.42737562 0.0590387 ] [0.87282046 0.48957951 0.32632588] [0.71831451 0.67776853 0.25934408] [0.66926303 0.09920859 0.13369502] [0.72285157 0.63041227 0.04549058] [0.04896121 0.85850568 0.12298008] [0.78768984 0.81083452 0.14617534]]spacegroup = 14cell = [[5.9113, 0, 0], [0, 4.8206, 0], [1.2616589999951, 0, 11.954507659361]]========================================= 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":5.28,"usertime":3.65,"systime":6.43,"memmax":191948,"memavg":0} output/kim.log: --------------- 2023-11-15:16:31:25MST * 0 * information * 0x1b8bb10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 1 * information * 0x1b8bb10 * 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 '0x1b8bb10'.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 * 0x1b8bb10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 0 * information * 0x1b8c030 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 1 * information * 0x1b8c030 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1b8bb10_Collections'.2023-11-15:16:31:25MST * 2 * information * 0x1b8bb10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1b8c030'.2023-11-15:16:31:25MST * 3 * information * 0x1b8bb10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:25MST * 1 * information * 0x1b8bb10 * 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 '0x1b8bb10'.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 * 0x1b8bb10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 0 * information * 0x1b8d040 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:25MST * 1 * information * 0x1b8d040 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1b8bb10_Collections'.2023-11-15:16:31:25MST * 2 * information * 0x1b8bb10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1b8d040'.2023-11-15:16:31:25MST * 3 * information * 0x1b8bb10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:25MST * 1 * information * 0x1b8bb10 * 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 '0x1b8bb10'.2023-11-15:16:31:25MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.