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: ----------------------- Parameter names:['a', 'b/a', 'c/a', 'beta', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['9.4974', '0.49671489', '0.98349022', '138.3418', '0.56113283', '0.15614778', '0.76036384', '0.77290315', '0.21571172', '0.60725435', '0.64609976', '0.62089948', '0.42441267', '0.95217889']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.36675537 0.01036384 0.96060759] [0. 0.18886717 0.25 ] [0.18038804 0.85725435 0.71467632] [0.58127941 0.17441267 0.21037993] [0. 0. 0. ]]spacegroup = 15cell = [[13.1937, 0, 0], [0, 4.7175, 0], [-4.9917383922334, 0, 4.4692155725029]]========================================= 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":3.90,"usertime":5.20,"systime":13.62,"memmax":194792,"memavg":0} output/kim.log: --------------- 2023-11-14:13:25:08MST * 0 * information * 0x2a35a00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:08MST * 1 * information * 0x2a35a00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:25:08MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a35a00'.2023-11-14:13:25:08MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:08MST * 0 * information * 0x2a35a00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:08MST * 0 * information * 0x2a35fc0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:08MST * 1 * information * 0x2a35fc0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2a35a00_Collections'.2023-11-14:13:25:08MST * 2 * information * 0x2a35a00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a35fc0'.2023-11-14:13:25:08MST * 3 * information * 0x2a35a00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:08MST * 1 * information * 0x2a35a00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:25:08MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a35a00'.2023-11-14:13:25:08MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:08MST * 0 * information * 0x2a35a00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:08MST * 0 * information * 0x299d1e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:25:08MST * 1 * information * 0x299d1e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2a35a00_Collections'.2023-11-14:13:25:08MST * 2 * information * 0x2a35a00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x299d1e0'.2023-11-14:13:25:08MST * 3 * information * 0x2a35a00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:25:08MST * 1 * information * 0x2a35a00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:25:08MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2a35a00'.2023-11-14:13:25:08MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.