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: ----------------------- number of parameter sets:1Parameter values for parameter set 0:['4.2065', '6.2242006', '0.00063980566', '0.16869096', '0.33292629', '0.59090148', '0.75150695', '0.91046613', '0.079035258', '0.25019014', '0.42200299']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Al', 'Ca', 'Ca', 'Ca', 'Si', 'Si', 'Si']representative atom coordinates = [[3.3333333e-01 6.6666667e-01 5.9090148e-01] [3.3333333e-01 6.6666667e-01 7.5150695e-01] [3.3333333e-01 6.6666667e-01 9.1046613e-01] [0.0000000e+00 0.0000000e+00 6.3980566e-04] [0.0000000e+00 0.0000000e+00 1.6869096e-01] [0.0000000e+00 0.0000000e+00 3.3292629e-01] [3.3333333e-01 6.6666667e-01 7.9035258e-02] [3.3333333e-01 6.6666667e-01 2.5019014e-01] [3.3333333e-01 6.6666667e-01 4.2200299e-01]]spacegroup = 186cell = [[4.2065, 0, 0], [-2.10325, 3.6429358610192, 0], [0, 0, 26.1821]]========================================= 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":3.65,"usertime":5.35,"systime":15.39,"memmax":126524,"memavg":0} output/kim.log: --------------- 2023-11-27:11:15:28MST * 0 * information * 0x26bbf10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 1 * information * 0x26bbf10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-27:11:15:28MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x26bbf10'.2023-11-27:11:15:28MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 0 * information * 0x26bbf10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 0 * information * 0x26bc340 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 1 * information * 0x26bc340 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x26bbf10_Collections'.2023-11-27:11:15:28MST * 2 * information * 0x26bbf10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x26bc340'.2023-11-27:11:15:28MST * 3 * information * 0x26bbf10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 1 * information * 0x26bbf10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:15:28MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x26bbf10'.2023-11-27:11:15:28MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 0 * information * 0x26bbf10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 0 * information * 0x26bd470 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-27:11:15:28MST * 1 * information * 0x26bd470 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x26bbf10_Collections'.2023-11-27:11:15:28MST * 2 * information * 0x26bbf10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x26bd470'.2023-11-27:11:15:28MST * 3 * information * 0x26bbf10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-27:11:15:28MST * 1 * information * 0x26bbf10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-27:11:15:28MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x26bbf10'.2023-11-27:11:15:28MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.