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_mC16_12_2ijParameter names:['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['10.1011', '0.89680332', '0.59179693', '89.5024', '0.83939068', '0.75488999', '0.71903751', '0.44911368', '0.65074161', '0.87825322', '0.74761426']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['P', 'P', 'P']representative atom coordinates = [[0.16060932 0. 0.24511001] [0.28096249 0. 0.55088632] [0.34925839 0.87825322 0.25238574]]spacegroup = 12cell = [[10.1011, 0, 0], [0, 9.0587, 0], [0.051915095889997, 0, 5.9775745635516]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, 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":4.04,"usertime":3.91,"systime":10.94,"memmax":161368,"memavg":0} output/kim.log: --------------- 2023-09-26:16:13:55MDT * 0 * information * 0x2d1a150 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:13:55MDT * 1 * information * 0x2d1a150 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-26:16:13:55MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d1a150'.2023-09-26:16:13:55MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:13:55MDT * 0 * information * 0x2d1a150 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:13:55MDT * 0 * information * 0x2d1a7e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:13:55MDT * 1 * information * 0x2d1a7e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d1a150_Collections'.2023-09-26:16:13:55MDT * 2 * information * 0x2d1a150_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d1a7e0'.2023-09-26:16:13:55MDT * 3 * information * 0x2d1a150_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:13:55MDT * 1 * information * 0x2d1a150 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:16:13:55MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d1a150'.2023-09-26:16:13:55MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:13:55MDT * 0 * information * 0x2d1a150 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:13:55MDT * 0 * information * 0x2d1bb00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-26:16:13:55MDT * 1 * information * 0x2d1bb00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d1a150_Collections'.2023-09-26:16:13:55MDT * 2 * information * 0x2d1a150_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d1bb00'.2023-09-26:16:13:55MDT * 3 * information * 0x2d1a150_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-26:16:13:55MDT * 1 * information * 0x2d1a150 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-26:16:13:55MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d1a150'.2023-09-26:16:13:55MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.