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: ----------------------- Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Ca', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si']representative atom coordinates = [[0.17405533 0.57750469 0.07346335] [0.32861361 0.57911265 0.40809386] [0.60814029 0.7165206 0.0684807 ] [0.11507877 0.945726 0.2099524 ] [0.12055633 0.69635945 0.53451092] [0.06148811 0.6233752 0.29381751] [0.95332795 0.86789107 0.40217017] [0.81318706 0.62508968 0.48868678] [0.40352625 0.54285851 0.17344198] [0.71371732 0.50589687 0.13586195] [0.52224516 0.2846303 0.11925819] [0.54569312 0.40749542 0.3607699 ] [0.97986843 0.70381202 0.42992402] [0.54444903 0.43028788 0.19576246]]spacegroup = 14cell = [[8.4009, 0, 0], [0, 9.7813, 0], [1.0649868886538, 0, 9.9305568412348]]========================================= 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":5.68,"usertime":5.27,"systime":12.73,"memmax":339464,"memavg":0} output/kim.log: --------------- 2023-11-14:13:24:26MST * 0 * information * 0x2cb2ba0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:26MST * 1 * information * 0x2cb2ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-14:13:24:26MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb2ba0'.2023-11-14:13:24:26MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:26MST * 0 * information * 0x2cb2ba0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:26MST * 0 * information * 0x2cb3030 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:26MST * 1 * information * 0x2cb3030 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2cb2ba0_Collections'.2023-11-14:13:24:26MST * 2 * information * 0x2cb2ba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb3030'.2023-11-14:13:24:26MST * 3 * information * 0x2cb2ba0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:26MST * 1 * information * 0x2cb2ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:24:26MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb2ba0'.2023-11-14:13:24:26MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:26MST * 0 * information * 0x2cb2ba0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:26MST * 0 * information * 0x2cb4230 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-14:13:24:26MST * 1 * information * 0x2cb4230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2cb2ba0_Collections'.2023-11-14:13:24:26MST * 2 * information * 0x2cb2ba0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb4230'.2023-11-14:13:24:26MST * 3 * information * 0x2cb2ba0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-14:13:24:26MST * 1 * information * 0x2cb2ba0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-14:13:24:26MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2cb2ba0'.2023-11-14:13:24:26MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.