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:['9.8049', '0.98682292', '0.29165881', '0.47111002', '0.9864849', '0.27185857', '0.23816979', '0.92545676', '0.14980005', '0.29589841', '0.17607592', '0.12307408', '0.3716088', '0.028223423', '0.14453316']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'O', 'Si', 'Si']representative atom coordinates = [[0.47111002 0.9864849 0.27185857] [0.23816979 0.92545676 0.14980005] [0.29589841 0.17607592 0.12307408] [0.29165881 0.29165881 0. ] [0.3716088 0.02822342 0.14453316]]spacegroup = 92cell = [[9.8049, 0, 0], [0, 9.8049, 0], [0, 0, 9.6757]]========================================= 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":25.70,"usertime":28.91,"systime":34.08,"memmax":195564,"memavg":0} output/kim.log: --------------- 2023-04-05:16:07:52CDT * 0 * information * 0x3f8cde0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:16:07:52CDT * 1 * information * 0x3f8cde0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-05:16:07:52CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f8cde0'.2023-04-05:16:07:52CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:16:07:53CDT * 0 * information * 0x3f8cde0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:16:07:53CDT * 0 * information * 0x3f8d4f0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:16:07:53CDT * 1 * information * 0x3f8d4f0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3f8cde0_Collections'.2023-04-05:16:07:53CDT * 2 * information * 0x3f8cde0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f8d4f0'.2023-04-05:16:07:53CDT * 3 * information * 0x3f8cde0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:16:07:53CDT * 1 * information * 0x3f8cde0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:16:07:53CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f8cde0'.2023-04-05:16:07:53CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:16:07:53CDT * 0 * information * 0x3f8cde0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:16:07:53CDT * 0 * information * 0x3f8eb30 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-05:16:07:53CDT * 1 * information * 0x3f8eb30 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3f8cde0_Collections'.2023-04-05:16:07:53CDT * 2 * information * 0x3f8cde0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f8eb30'.2023-04-05:16:07:53CDT * 3 * information * 0x3f8cde0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-05:16:07:53CDT * 1 * information * 0x3f8cde0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-05:16:07:53CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3f8cde0'.2023-04-05:16:07:53CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.