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:['9.8898', '1.0021841', '0.85641772', '0.35075085', '0.34814755', '0.14964383', '0.14740738', '0.69286756', '0.8068333', '0.25114204', '0.95903906', '0.81776696', '0.21733479', '0.68330794', '0.54098269', '0.28159749', '0.8299476', '0.8793806', '0.31267557', '0.62125104', '0.67023085', '0.1873587']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', 'Si', 'Si']representative atom coordinates = [[0.35075085 0.34814755 0. ] [0.14964383 0.14740738 0.5 ] [0.69286756 0.8068333 0.25114204] [0.95903906 0.81776696 0.21733479] [0.68330794 0.54098269 0.28159749] [0.8299476 0.8793806 0.31267557] [0.62125104 0.67023085 0.1873587 ]]spacegroup = 55cell = [[9.8898, 0, 0], [0, 9.9114, 0], [0, 0, 8.4698]]========================================= 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":4.58,"usertime":7.74,"systime":21.45,"memmax":127692,"memavg":0} output/kim.log: --------------- 2023-09-19:18:44:09MDT * 0 * information * 0x354cc60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:44:09MDT * 1 * information * 0x354cc60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-19:18:44:09MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x354cc60'.2023-09-19:18:44:09MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:44:09MDT * 0 * information * 0x354cc60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:44:09MDT * 0 * information * 0x354d090 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:44:09MDT * 1 * information * 0x354d090 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x354cc60_Collections'.2023-09-19:18:44:09MDT * 2 * information * 0x354cc60_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x354d090'.2023-09-19:18:44:09MDT * 3 * information * 0x354cc60_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:44:09MDT * 1 * information * 0x354cc60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:44:09MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x354cc60'.2023-09-19:18:44:09MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:44:09MDT * 0 * information * 0x354cc60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:44:09MDT * 0 * information * 0x354e2d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:44:09MDT * 1 * information * 0x354e2d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x354cc60_Collections'.2023-09-19:18:44:09MDT * 2 * information * 0x354cc60_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x354e2d0'.2023-09-19:18:44:09MDT * 3 * information * 0x354cc60_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:44:09MDT * 1 * information * 0x354cc60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:44:09MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x354cc60'.2023-09-19:18:44:09MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.