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: ----------------------- ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['6.1701', '1.0030956', '1.8747022', '0.43122511', '0.10460926', '0.86788551', '0.72247611', '0.93183865', '0.6342557', '0.56270766', '0.37729259', '0.79238022', '0.85973277', '0.20059003', '0.93996039', '0.88661157', '0.94672935', '0.6282182', '0.96971341', '0.85503132', '0.87483838']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']representative atom coordinates = [[0.43122511 0.10460926 0.86788551] [0.72247611 0.93183865 0.6342557 ] [0.56270766 0.37729259 0.79238022] [0.85973277 0.20059003 0.93996039] [0.88661157 0.94672935 0.6282182 ] [0.96971341 0.85503132 0.87483838]]spacegroup = 61cell = [[6.1701, 0, 0], [0, 6.1892, 0], [0, 0, 11.5671]]========================================= 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":5.32,"usertime":3.96,"systime":5.12,"memmax":307468,"memavg":0} output/kim.log: --------------- 2023-11-17:13:49:39MST * 0 * information * 0x376f050 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:39MST * 1 * information * 0x376f050 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:13:49:39MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x376f050'.2023-11-17:13:49:39MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:39MST * 0 * information * 0x376f050 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:39MST * 0 * information * 0x376f510 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:39MST * 1 * information * 0x376f510 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x376f050_Collections'.2023-11-17:13:49:39MST * 2 * information * 0x376f050_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x376f510'.2023-11-17:13:49:39MST * 3 * information * 0x376f050_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:39MST * 1 * information * 0x376f050 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:49:39MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x376f050'.2023-11-17:13:49:39MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:39MST * 0 * information * 0x376f050 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:39MST * 0 * information * 0x3770730 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:49:39MST * 1 * information * 0x3770730 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x376f050_Collections'.2023-11-17:13:49:39MST * 2 * information * 0x376f050_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3770730'.2023-11-17:13:49:39MST * 3 * information * 0x376f050_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:49:39MST * 1 * information * 0x376f050 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:49:39MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x376f050'.2023-11-17:13:49:39MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.