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 values for parameter set 0:['15.4691', '0.63570602', '1.0006917', '143.4808', '0.64585556', '0.27483259', '0.65644064', '0.65782243', '0.89632786', '0.15523759', '0.59127705', '0.93123763', '0.38809783', '0.58481476', '0.19886644', '0.70235946', '0.42446186', '0.63504733', '0.58274378', '0.71969145', '0.79721311', '0.86602651', '0.86562754', '0.21820526', '0.72726736']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca']representative atom coordinates = [[0. 0.64585556 0. ] [0. 0.27483259 0.5 ] [0.65644064 0. 0.65782243] [0.89632786 0. 0.15523759] [0.59127705 0. 0.93123763] [0.92446186 0.13504733 0.58274378] [0. 0. 0. ] [0.38809783 0. 0.58481476] [0.19886644 0. 0.70235946] [0.21969145 0.29721311 0.86602651] [0.36562754 0.71820526 0.72726736]]spacegroup = 12cell = [[15.4691, 0, 0], [0, 9.8338, 0], [-12.440457189828, 0, 9.2119071287147]]========================================= 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":7.59,"usertime":6.27,"systime":9.98,"memmax":272644,"memavg":0} output/kim.log: --------------- 2023-11-14:13:21:34MST * 0 * information * 0x2aa0740 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:34MST * 1 * information * 0x2aa0740 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:21:34MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aa0740'.2023-11-14:13:21:34MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:34MST * 0 * information * 0x2aa0740 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:34MST * 0 * information * 0x2aa0c00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:34MST * 1 * information * 0x2aa0c00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2aa0740_Collections'.2023-11-14:13:21:34MST * 2 * information * 0x2aa0740_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aa0c00'.2023-11-14:13:21:34MST * 3 * information * 0x2aa0740_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:34MST * 1 * information * 0x2aa0740 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:21:34MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aa0740'.2023-11-14:13:21:34MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:34MST * 0 * information * 0x2aa0740 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:34MST * 0 * information * 0x2aa1e20 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:21:34MST * 1 * information * 0x2aa1e20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2aa0740_Collections'.2023-11-14:13:21:34MST * 2 * information * 0x2aa0740_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aa1e20'.2023-11-14:13:21:34MST * 3 * information * 0x2aa0740_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:21:34MST * 1 * information * 0x2aa0740 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:21:34MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2aa0740'.2023-11-14:13:21:34MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.