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: ----------------------- ['a', 'x2', 'x4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:2Parameter values for parameter set 0:['8.6156', '0.15876076', '0.14273752', '0.59941966']Parameter values for parameter set 1:['8.8714', '0.84607434', '0.63943407', '0.090271108']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Ca', 'O', 'O']representative atom coordinates = [[0.25 0.5 0. ] [0.15876076 0.15876076 0.15876076] [0. 0. 0. ] [0.14273752 0.14273752 0.59941966]]spacegroup = 217cell = [[8.6156, 0, 0], [0, 8.6156, 0], [0, 0, 8.6156]]========================================= 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":10.24,"usertime":8.32,"systime":14.17,"memmax":200764,"memavg":0} output/kim.log: --------------- 2023-11-17:14:05:03MST * 0 * information * 0x2371570 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:05:03MST * 1 * information * 0x2371570 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:14:05:03MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2371570'.2023-11-17:14:05:03MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:05:03MST * 0 * information * 0x2371570 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:05:03MST * 0 * information * 0x23719a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:05:03MST * 1 * information * 0x23719a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2371570_Collections'.2023-11-17:14:05:03MST * 2 * information * 0x2371570_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x23719a0'.2023-11-17:14:05:03MST * 3 * information * 0x2371570_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:05:03MST * 1 * information * 0x2371570 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:05:03MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2371570'.2023-11-17:14:05:03MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:05:03MST * 0 * information * 0x2371570 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:05:03MST * 0 * information * 0x2372ae0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:05:03MST * 1 * information * 0x2372ae0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2371570_Collections'.2023-11-17:14:05:03MST * 2 * information * 0x2371570_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2372ae0'.2023-11-17:14:05:03MST * 3 * information * 0x2371570_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:05:03MST * 1 * information * 0x2371570 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:05:03MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2371570'.2023-11-17:14:05:03MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.