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', 'c/a', 'x1', 'x2', 'y2', 'z2', '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:['6.5377', '1.0609542', '0.39584858', '0.98730823', '0.33930339', '0.19686944', '0.11559022', '0.15477442', '0.28634219', '0.29944526', '0.36090424', '0.1075694', '0.1124648', '0.30762733', '0.2743784']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'H', 'H', 'O', 'O']representative atom coordinates = [[0.98730823 0.33930339 0.19686944] [0.11559022 0.15477442 0.28634219] [0.29944526 0.36090424 0.1075694 ] [0.39584858 0.39584858 0. ] [0.1124648 0.30762733 0.2743784 ]]spacegroup = 92cell = [[6.5377, 0, 0], [0, 6.5377, 0], [0, 0, 6.9362]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 787, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 30, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 500, 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":4.46,"usertime":3.05,"systime":6.64,"memmax":214036,"memavg":0} output/kim.log: --------------- 2023-04-05:15:09:08MDT * 0 * information * 0x28eaba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:09:08MDT * 1 * information * 0x28eaba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-05:15:09:08MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x28eaba0'.2023-04-05:15:09:08MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:09:08MDT * 0 * information * 0x28eaba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:09:08MDT * 0 * information * 0x28eb250 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:09:08MDT * 1 * information * 0x28eb250 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x28eaba0_Collections'.2023-04-05:15:09:08MDT * 2 * information * 0x28eaba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x28eb250'.2023-04-05:15:09:08MDT * 3 * information * 0x28eaba0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:09:08MDT * 1 * information * 0x28eaba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:15:09:08MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x28eaba0'.2023-04-05:15:09:08MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:09:08MDT * 0 * information * 0x28eaba0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:09:08MDT * 0 * information * 0x28ec5a0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:15:09:08MDT * 1 * information * 0x28ec5a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x28eaba0_Collections'.2023-04-05:15:09:08MDT * 2 * information * 0x28eaba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x28ec5a0'.2023-04-05:15:09:08MDT * 3 * information * 0x28eaba0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:15:09:08MDT * 1 * information * 0x28eaba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:15:09:08MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x28eaba0'.2023-04-05:15:09:08MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.