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: ----------------------- element(s):['H']AFLOW prototype label:A_cI2_229_aParameter names:['a']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['4.2058']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H']representative atom coordinates = [[0 0 0]]spacegroup = 229cell = [[4.2058, 0, 0], [0, 4.2058, 0], [0, 0, 4.2058]]========================================= 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":3.50,"usertime":2.07,"systime":3.23,"memmax":136688,"memavg":0} output/kim.log: --------------- 2023-09-25:17:57:09MDT * 0 * information * 0x38f3080 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:17:57:09MDT * 1 * information * 0x38f3080 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-25:17:57:09MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x38f3080'.2023-09-25:17:57:09MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:17:57:09MDT * 0 * information * 0x38f3080 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:17:57:09MDT * 0 * information * 0x38f35a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:17:57:09MDT * 1 * information * 0x38f35a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x38f3080_Collections'.2023-09-25:17:57:09MDT * 2 * information * 0x38f3080_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x38f35a0'.2023-09-25:17:57:09MDT * 3 * information * 0x38f3080_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:17:57:09MDT * 1 * information * 0x38f3080 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-25:17:57:09MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x38f3080'.2023-09-25:17:57:09MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:17:57:09MDT * 0 * information * 0x38f3080 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:17:57:09MDT * 0 * information * 0x38f47c0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-25:17:57:09MDT * 1 * information * 0x38f47c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x38f3080_Collections'.2023-09-25:17:57:09MDT * 2 * information * 0x38f3080_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x38f47c0'.2023-09-25:17:57:09MDT * 3 * information * 0x38f3080_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-25:17:57:09MDT * 1 * information * 0x38f3080 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-25:17:57:09MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x38f3080'.2023-09-25:17:57:09MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.