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:['9.9738', '1.0586336', '0.73534661', '82.5225', '0.37973742', '0.04128251', '0.59141584', '0.29167574', '0.5221326', '0.65798696', '0.2904183', '0.8439076', '0.25233968', '0.96564056', '0.61325299', '0.53854363', '0.18677358', '0.93956661', '0.13882294', '0.88278211', '0.67628171']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'P', 'P']representative atom coordinates = [[0. 0.62026258 0.25 ] [0. 0.95871749 0.25 ] [0.40858416 0.29167574 0.4778674 ] [0.34201304 0.2904183 0.1560924 ] [0.74766032 0.96564056 0.38674701] [0.46145637 0.18677358 0.06043339] [0.86117706 0.88278211 0.32371829]]spacegroup = 15cell = [[9.9738, 0, 0], [0, 10.5586, 0], [0.95444963157671, 0, 7.2718302744758]]========================================= 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":33.56,"usertime":43.86,"systime":38.03,"memmax":245132,"memavg":0} output/kim.log: --------------- 2023-04-04:10:35:34CDT * 0 * information * 0x403a690 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:35:34CDT * 1 * information * 0x403a690 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-04:10:35:34CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x403a690'.2023-04-04:10:35:34CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:35:34CDT * 0 * information * 0x403a690 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:35:34CDT * 0 * information * 0x403ad90 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:35:34CDT * 1 * information * 0x403ad90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x403a690_Collections'.2023-04-04:10:35:34CDT * 2 * information * 0x403a690_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x403ad90'.2023-04-04:10:35:34CDT * 3 * information * 0x403a690_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:35:34CDT * 1 * information * 0x403a690 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:10:35:34CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x403a690'.2023-04-04:10:35:34CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:35:34CDT * 0 * information * 0x403a690 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:35:34CDT * 0 * information * 0x403c5b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-04:10:35:34CDT * 1 * information * 0x403c5b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x403a690_Collections'.2023-04-04:10:35:34CDT * 2 * information * 0x403a690_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x403c5b0'.2023-04-04:10:35:34CDT * 3 * information * 0x403a690_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-04:10:35:34CDT * 1 * information * 0x403a690 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-04:10:35:34CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x403a690'.2023-04-04:10:35:34CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.