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', 'b/a', 'c/a', 'x3', 'y3', 'x4', 'y4', 'x5', 'y5', 'x6', 'y6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.3988', '1.360469', '1.0653293', '0.28890902', '0.58601857', '0.60031131', '0.64005599', '0.17779494', '0.80239021', '0.20393796', '0.086471435', '0.20045861']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'H', 'H', 'H', 'H']representative atom coordinates = [[0. 0. 0. ] [0.28890902 0.58601857 0. ] [0. 0.5 0. ] [0.60031131 0.64005599 0. ] [0.17779494 0.80239021 0. ] [0.20393796 0.08647143 0.20045861]]spacegroup = 58cell = [[5.3988, 0, 0], [0, 7.3449, 0], [0, 0, 5.7515]]========================================= 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":4.50,"usertime":7.47,"systime":21.22,"memmax":180888,"memavg":0} output/kim.log: --------------- 2023-04-10:11:43:43MDT * 0 * information * 0x3583070 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:43:43MDT * 1 * information * 0x3583070 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-10:11:43:43MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3583070'.2023-04-10:11:43:43MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:43:43MDT * 0 * information * 0x3583070 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:43:43MDT * 0 * information * 0x3583560 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:43:43MDT * 1 * information * 0x3583560 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3583070_Collections'.2023-04-10:11:43:43MDT * 2 * information * 0x3583070_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3583560'.2023-04-10:11:43:43MDT * 3 * information * 0x3583070_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:43:43MDT * 1 * information * 0x3583070 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:11:43:43MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3583070'.2023-04-10:11:43:43MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:43:43MDT * 0 * information * 0x3583070 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:43:43MDT * 0 * information * 0x35848b0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-10:11:43:43MDT * 1 * information * 0x35848b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3583070_Collections'.2023-04-10:11:43:43MDT * 2 * information * 0x3583070_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x35848b0'.2023-04-10:11:43:43MDT * 3 * information * 0x3583070_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-10:11:43:43MDT * 1 * information * 0x3583070 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-10:11:43:43MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3583070'.2023-04-10:11:43:43MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.