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: ----------------------- AB_mP8_11_2e_2eParameter names:['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['6.4739', '0.51401783', '0.99687978', '92.9612', '0.81795767', '0.42036014', '0.31911071', '0.042039596', '0.97253683', '0.80659101', '0.50507911', '0.68852277']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Au', 'Au']representative atom coordinates = [[0.18204233 0.25 0.57963986] [0.68088929 0.25 0.9579604 ] [0.02746317 0.25 0.19340899] [0.49492089 0.25 0.31147723]]spacegroup = 11cell = [[6.4739, 0, 0], [0, 3.3277, 0], [-0.33339610654779, 0, 6.4450826779909]]========================================= 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":4.74,"usertime":4.05,"systime":7.57,"memmax":157896,"memavg":0} output/kim.log: --------------- 2023-04-24:12:01:13MDT * 0 * information * 0x3b307d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:01:13MDT * 1 * information * 0x3b307d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-24:12:01:13MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b307d0'.2023-04-24:12:01:13MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:01:13MDT * 0 * information * 0x3b307d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:01:13MDT * 0 * information * 0x3b30de0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:01:13MDT * 1 * information * 0x3b30de0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b307d0_Collections'.2023-04-24:12:01:13MDT * 2 * information * 0x3b307d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b30de0'.2023-04-24:12:01:13MDT * 3 * information * 0x3b307d0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:01:13MDT * 1 * information * 0x3b307d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:12:01:13MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b307d0'.2023-04-24:12:01:13MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:01:13MDT * 0 * information * 0x3b307d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:01:13MDT * 0 * information * 0x3b321d0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:12:01:13MDT * 1 * information * 0x3b321d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3b307d0_Collections'.2023-04-24:12:01:13MDT * 2 * information * 0x3b307d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b321d0'.2023-04-24:12:01:13MDT * 3 * information * 0x3b307d0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:12:01:13MDT * 1 * information * 0x3b307d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:12:01:13MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3b307d0'.2023-04-24:12:01:13MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.