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: ----------------------- model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['9.0084', '0.54388127', '1.4561631', '119.603', '0.39703151', '0.78549713', '0.95531117', '0.68303886', '0.51670101', '0.68609689', '0.62734209', '0.42043284', '0.20303344', '0.53542212', '0.78409559', '0.8821674', '0.90998471', '0.40743438', '0.96551938', '0.61498609']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Na', 'O', 'O', 'O', 'O', 'Si', 'Si']representative atom coordinates = [[0.78549713 0.95531117 0.68303886] [0. 0.39703151 0.25 ] [0.51670101 0.68609689 0.62734209] [0.42043284 0.20303344 0.53542212] [0.78409559 0.8821674 0.90998471] [0. 0. 0. ] [0.40743438 0.96551938 0.61498609]]spacegroup = 15cell = [[9.0084, 0, 0], [0, 4.8995, 0], [-6.479978419321, 0, 11.405434361528]]========================================= 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":5.56,"usertime":5.68,"systime":10.67,"memmax":230160,"memavg":0} output/kim.log: --------------- 2023-11-14:13:25:51MST * 0 * information * 0x34f2450 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:51MST * 1 * information * 0x34f2450 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:25:51MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34f2450'.2023-11-14:13:25:52MST * 0 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:52MST * 0 * information * 0x34f2450 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:52MST * 0 * information * 0x34f2870 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:52MST * 1 * information * 0x34f2870 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34f2450_Collections'.2023-11-14:13:25:52MST * 2 * information * 0x34f2450_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34f2870'.2023-11-14:13:25:52MST * 3 * information * 0x34f2450_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:52MST * 1 * information * 0x34f2450 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:25:52MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34f2450'.2023-11-14:13:25:52MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:52MST * 0 * information * 0x34f2450 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:52MST * 0 * information * 0x34f3b70 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:52MST * 1 * information * 0x34f3b70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34f2450_Collections'.2023-11-14:13:25:52MST * 2 * information * 0x34f2450_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34f3b70'.2023-11-14:13:25:52MST * 3 * information * 0x34f2450_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:52MST * 1 * information * 0x34f2450 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:25:52MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34f2450'.2023-11-14:13:25:52MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.