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: ----------------------- ['18.3115', '0.8922262', '0.39348497', '0.36286373', '0.23380678', '0.7453673', '0.36939137', '0.2445178', '0.52623677', '0.32401607', '0.16275425', '0.96596173', '0.48697395', '0.11010445', '0.88614754', '0.41280568', '0.080704381', '0.42903961', '0.27396152', '0.089172575', '0.31542403', '0.33412588', '0.2412522', '0.62849995', '0.3936987', '0.20835124', '0.96317775', '0.27523278', '0.13014206', '0.94951079', '0.43477789', '0.23486207', '0.32231612', '0.47570297', '0.14736911', '0.37460131', '0.34167617', '0.025210689', '0.3703171']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'H', 'H', 'Na', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si']representative atom coordinates = [[0.51619322 0.11286373 0.7453673 ] [0.5054822 0.11939137 0.52623677] [0.58724575 0.07401607 0.96596173] [0.63989555 0.23697395 0.88614754] [0.66929562 0.16280568 0.42903961] [0.66082743 0.02396152 0.31542403] [0.5087478 0.08412588 0.62849995] [0.54164876 0.1436987 0.96317775] [0.61985794 0.02523278 0.94951079] [0.51513793 0.18477789 0.32231612] [0.60263089 0.22570297 0.37460131] [0.72478931 0.09167617 0.3703171 ]]spacegroup = 43cell = [[16.338, 0, 0], [0, 18.3115, 0], [0, 0, 7.2053]]========================================= 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":9.70,"usertime":9.15,"systime":13.81,"memmax":226992,"memavg":0} output/kim.log: --------------- 2023-11-17:13:49:44MST * 0 * information * 0x2f804d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:44MST * 1 * information * 0x2f804d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:13:49:44MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f804d0'.2023-11-17:13:49:44MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:44MST * 0 * information * 0x2f804d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:44MST * 0 * information * 0x2f80960 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:44MST * 1 * information * 0x2f80960 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f804d0_Collections'.2023-11-17:13:49:44MST * 2 * information * 0x2f804d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f80960'.2023-11-17:13:49:44MST * 3 * information * 0x2f804d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:44MST * 1 * information * 0x2f804d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:49:44MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f804d0'.2023-11-17:13:49:44MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:44MST * 0 * information * 0x2f804d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:44MST * 0 * information * 0x2f81bb0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:44MST * 1 * information * 0x2f81bb0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f804d0_Collections'.2023-11-17:13:49:44MST * 2 * information * 0x2f804d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f81bb0'.2023-11-17:13:49:44MST * 3 * information * 0x2f804d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:44MST * 1 * information * 0x2f804d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:49:44MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f804d0'.2023-11-17:13:49:44MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.