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:A_cF240_202_h2iParameter names:['a', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['C', 'C', 'C']representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]]spacegroup = 202cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]]========================================= 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":46.66,"usertime":46.25,"systime":12.94,"memmax":242584,"memavg":0} output/kim.log: --------------- 2023-04-24:15:00:55MDT * 0 * information * 0x408f1c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:15:00:55MDT * 1 * information * 0x408f1c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-24:15:00:55MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x408f1c0'.2023-04-24:15:00:55MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:15:00:55MDT * 0 * information * 0x408f1c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:15:00:55MDT * 0 * information * 0x408f650 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:15:00:55MDT * 1 * information * 0x408f650 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x408f1c0_Collections'.2023-04-24:15:00:55MDT * 2 * information * 0x408f1c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x408f650'.2023-04-24:15:00:55MDT * 3 * information * 0x408f1c0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:15:00:55MDT * 1 * information * 0x408f1c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:15:00:55MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x408f1c0'.2023-04-24:15:00:55MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:15:00:55MDT * 0 * information * 0x408f1c0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:15:00:55MDT * 0 * information * 0x4090970 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-24:15:00:55MDT * 1 * information * 0x4090970 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x408f1c0_Collections'.2023-04-24:15:00:55MDT * 2 * information * 0x408f1c0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x4090970'.2023-04-24:15:00:55MDT * 3 * information * 0x408f1c0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-24:15:00:55MDT * 1 * information * 0x408f1c0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-24:15:00:55MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x408f1c0'.2023-04-24:15:00:55MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.