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: ----------------------- ==== Building ASE atoms object with: ====representative atom symbols = ['Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']representative atom coordinates = [[0.9957359 0.24908564 0.97057755] [0.70365761 0.92863942 0.2636599 ] [0.69816354 0.42328826 0.2611699 ] [0.10036925 0.27363209 0.66885072] [0.07000493 0.76950658 0.70132301] [0.19914831 0.06363841 0.03360129] [0.19668969 0.53593213 0.03371149] [0.52040478 0.13161874 0.2368768 ] [0.5178965 0.62682008 0.2342887 ] [0.23079468 0.12906426 0.40549465] [0.22781696 0.48793282 0.40621195] [0.27869739 0.82007436 0.27073528] [0.31578845 0.0458006 0.22929263] [0.31485542 0.61185844 0.2292518 ] [0.10420235 0.27609926 0.44201508]]spacegroup = 2cell = [[8.0183, 0, 0], [-1.7177463848797, 7.1876926316609, 0], [-0.67502960099312, -0.1681447993181, 7.1133648616]]========================================= 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":3.47,"usertime":2.85,"systime":6.18,"memmax":225724,"memavg":0} output/kim.log: --------------- 2023-11-17:14:16:41MST * 0 * information * 0x1eb85b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:16:41MST * 1 * information * 0x1eb85b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:14:16:41MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eb85b0'.2023-11-17:14:16:41MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:16:41MST * 0 * information * 0x1eb85b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:16:41MST * 0 * information * 0x1eb8a70 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:16:41MST * 1 * information * 0x1eb8a70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1eb85b0_Collections'.2023-11-17:14:16:41MST * 2 * information * 0x1eb85b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eb8a70'.2023-11-17:14:16:41MST * 3 * information * 0x1eb85b0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:16:41MST * 1 * information * 0x1eb85b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:16:41MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eb85b0'.2023-11-17:14:16:41MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:16:41MST * 0 * information * 0x1eb85b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:16:41MST * 0 * information * 0x1ebbd60 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:14:16:41MST * 1 * information * 0x1ebbd60 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x1eb85b0_Collections'.2023-11-17:14:16:41MST * 2 * information * 0x1eb85b0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1ebbd60'.2023-11-17:14:16:41MST * 3 * information * 0x1eb85b0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:14:16:41MST * 1 * information * 0x1eb85b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:14:16:41MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x1eb85b0'.2023-11-17:14:16:41MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.