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: ----------------------- Parameter names:['a', 'b/a', 'c/a', 'x2', 'z3', 'z4', 'x5', 'y5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['7.8695', '1.0720249', '1.4377025', '0.71230122', '0.13608551', '0.87332086', '0.69524043', '0.81421574', '0.12862622']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.25 0. 0.25 ] [0.21230122 0. 0. ] [0. 0. 0.61391449] [0.25 0.25 0.62332086] [0.69524043 0.06421574 0.87862622]]spacegroup = 68cell = [[7.8695, 0, 0], [0, 8.4363, 0], [0, 0, 11.314]]========================================= 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":98.16,"usertime":106.21,"systime":40.69,"memmax":166964,"memavg":0} output/kim.log: --------------- 2023-04-04:15:11:28CDT * 0 * information * 0x3454ba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:11:28CDT * 1 * information * 0x3454ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:15:11:28CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3454ba0'.2023-04-04:15:11:28CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:11:28CDT * 0 * information * 0x3454ba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:11:28CDT * 0 * information * 0x34552a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:11:28CDT * 1 * information * 0x34552a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3454ba0_Collections'.2023-04-04:15:11:28CDT * 2 * information * 0x3454ba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34552a0'.2023-04-04:15:11:28CDT * 3 * information * 0x3454ba0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:11:28CDT * 1 * information * 0x3454ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:15:11:28CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3454ba0'.2023-04-04:15:11:28CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:11:28CDT * 0 * information * 0x3454ba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:11:28CDT * 0 * information * 0x3456ba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:15:11:28CDT * 1 * information * 0x3456ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3454ba0_Collections'.2023-04-04:15:11:28CDT * 2 * information * 0x3454ba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3456ba0'.2023-04-04:15:11:28CDT * 3 * information * 0x3454ba0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:15:11:28CDT * 1 * information * 0x3454ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:15:11:28CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3454ba0'.2023-04-04:15:11:28CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.