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_hR16_161_ab_abParameter names:['a', 'c/a', 'x1', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['10.112216', '1.3658646', '0.040482743', '0.95775785', '0.039673472', '0.53457745', '0.2536623', '0.92025972', '0.44527309', '0.26211337']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C', 'O', 'O']representative atom coordinates = [[0. 0. 0.04048274] [0.7637024 0.02230877 0.27597107] [0. 0. 0.95775785] [0.37771099 0.28043536 0.54254873]]spacegroup = 161cell = [[10.1122, 0, 0], [-5.0561, 8.757422088149, 0], [0, 0, 13.8119]]========================================= 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":3.78,"usertime":4.62,"systime":13.25,"memmax":187388,"memavg":0} output/kim.log: --------------- 2023-04-21:10:40:44MDT * 0 * information * 0x2cb5230 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:44MDT * 1 * information * 0x2cb5230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-21:10:40:44MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb5230'.2023-04-21:10:40:44MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:44MDT * 0 * information * 0x2cb5230 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:44MDT * 0 * information * 0x2cb5690 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:44MDT * 1 * information * 0x2cb5690 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2cb5230_Collections'.2023-04-21:10:40:44MDT * 2 * information * 0x2cb5230_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb5690'.2023-04-21:10:40:44MDT * 3 * information * 0x2cb5230_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:44MDT * 1 * information * 0x2cb5230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:10:40:44MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb5230'.2023-04-21:10:40:44MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:44MDT * 0 * information * 0x2cb5230 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:44MDT * 0 * information * 0x2cb6a50 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-21:10:40:44MDT * 1 * information * 0x2cb6a50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2cb5230_Collections'.2023-04-21:10:40:44MDT * 2 * information * 0x2cb5230_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb6a50'.2023-04-21:10:40:44MDT * 3 * information * 0x2cb5230_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-21:10:40:44MDT * 1 * information * 0x2cb5230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-21:10:40:44MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb5230'.2023-04-21:10:40:44MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.