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', 'y2', 'y4', 'z4', 'x5', 'y5', 'x6', 'y6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['6.4616', '1.6953386', '1.0060976', '0.051318834', '0.71556475', '0.56448639', '0.29992095', '0.20798316', '0.69310352', '0.60116324', '0.94070871']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'H', 'H', 'H', 'H']representative atom coordinates = [[0. 0. 0. ] [0.25 0.25 0. ] [0. 0.05131883 0.25 ] [0. 0.71556475 0.56448639] [0.29992095 0.20798316 0.25 ] [0.19310352 0.10116324 0.94070871]]spacegroup = 63cell = [[6.4616, 0, 0], [0, 10.9546, 0], [0, 0, 6.501]]========================================= 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":5.84,"usertime":5.53,"systime":10.34,"memmax":130496,"memavg":0} output/kim.log: --------------- 2023-04-10:11:33:14MDT * 0 * information * 0x2d37980 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:33:14MDT * 1 * information * 0x2d37980 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-10:11:33:14MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d37980'.2023-04-10:11:33:14MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:33:14MDT * 0 * information * 0x2d37980 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:33:14MDT * 0 * information * 0x2d37e40 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:33:14MDT * 1 * information * 0x2d37e40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d37980_Collections'.2023-04-10:11:33:14MDT * 2 * information * 0x2d37980_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d37e40'.2023-04-10:11:33:14MDT * 3 * information * 0x2d37980_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:33:14MDT * 1 * information * 0x2d37980 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:11:33:14MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d37980'.2023-04-10:11:33:14MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:33:14MDT * 0 * information * 0x2d37980 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:33:14MDT * 0 * information * 0x2d39060 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:33:14MDT * 1 * information * 0x2d39060 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d37980_Collections'.2023-04-10:11:33:14MDT * 2 * information * 0x2d37980_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d39060'.2023-04-10:11:33:14MDT * 3 * information * 0x2d37980_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:33:14MDT * 1 * information * 0x2d37980 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:11:33:14MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d37980'.2023-04-10:11:33:14MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.