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: ----------------------- AFLOW prototype label:A2B3_mC10_12_i_aiParameter names:['a', 'b/a', 'c/a', 'beta', 'x2', 'z2', 'x3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.0966', '0.55937292', '1.8579445', '137.3322', '0.63777595', '0.20969923', '0.10555709', '0.31221351']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'O', 'O']representative atom coordinates = [[0.36222405 0. 0.79030077] [0. 0. 0. ] [0.89444291 0. 0.68778649]]spacegroup = 12cell = [[5.0966, 0, 0], [0, 2.8509, 0], [-6.9626611154732, 0, 6.4177175717756]]========================================= 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":19.81,"usertime":29.58,"systime":31.14,"memmax":130216,"memavg":0} output/kim.log: --------------- 2023-04-03:14:14:12CDT * 0 * information * 0x3676d10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:14:12CDT * 1 * information * 0x3676d10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-03:14:14:12CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3676d10'.2023-04-03:14:14:12CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:14:12CDT * 0 * information * 0x3676d10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:14:12CDT * 0 * information * 0x3677410 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:14:12CDT * 1 * information * 0x3677410 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3676d10_Collections'.2023-04-03:14:14:12CDT * 2 * information * 0x3676d10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3677410'.2023-04-03:14:14:12CDT * 3 * information * 0x3676d10_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:14:12CDT * 1 * information * 0x3676d10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:14:12CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3676d10'.2023-04-03:14:14:12CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:14:12CDT * 0 * information * 0x3676d10 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:14:12CDT * 0 * information * 0x3678c30 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:14:12CDT * 1 * information * 0x3678c30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3676d10_Collections'.2023-04-03:14:14:12CDT * 2 * information * 0x3676d10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3678c30'.2023-04-03:14:14:12CDT * 3 * information * 0x3676d10_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:14:13CDT * 0 * information * 0x3676d10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:14:13CDT * 1 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3676d10'.2023-04-03:14:14:13CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.