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', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'y6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['9.66', '0.51137681', '0.7589648', '0.27569032', '0.49542795', '0.36121242', '0.83757644', '0.54014415', '0.40676747', '0.24617836', '0.70973491', '0.39580675', '0.34710765', '0.14280712', '0.99862541', '0.71912079']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'P', 'P']representative atom coordinates = [[0.27569032 0.25 0.49542795] [0.36121242 0.25 0.83757644] [0.54014415 0.25 0.40676747] [0.14280712 0.99862541 0.71912079] [0.24617836 0.25 0.70973491] [0.39580675 0.25 0.34710765]]spacegroup = 62cell = [[9.66, 0, 0], [0, 4.9399, 0], [0, 0, 7.3316]]========================================= 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":5.17,"usertime":3.99,"systime":7.38,"memmax":177688,"memavg":0} output/kim.log: --------------- 2023-09-19:18:13:05MDT * 0 * information * 0x4568610 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:13:05MDT * 1 * information * 0x4568610 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-19:18:13:05MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4568610'.2023-09-19:18:13:05MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:13:05MDT * 0 * information * 0x4568610 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:13:05MDT * 0 * information * 0x4568a70 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:13:05MDT * 1 * information * 0x4568a70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x4568610_Collections'.2023-09-19:18:13:05MDT * 2 * information * 0x4568610_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4568a70'.2023-09-19:18:13:05MDT * 3 * information * 0x4568610_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:13:05MDT * 1 * information * 0x4568610 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:13:05MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4568610'.2023-09-19:18:13:05MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:13:05MDT * 0 * information * 0x4568610 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:13:05MDT * 0 * information * 0x4569dc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:13:05MDT * 1 * information * 0x4569dc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x4568610_Collections'.2023-09-19:18:13:05MDT * 2 * information * 0x4568610_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4569dc0'.2023-09-19:18:13:05MDT * 3 * information * 0x4568610_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:13:05MDT * 1 * information * 0x4568610 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:13:05MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4568610'.2023-09-19:18:13:05MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.