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: ----------------------- [0.15658083 0.57506432 0.01486058] [0.27391705 0.72036839 0.94588779] [0.58116413 0.85039508 0.98314923] [0.72020306 0.72756798 0.06524164] [0.58830306 0.05398095 0.39396363] [0.00144437 0.49157716 0.74963736] [0.75451575 0.13929074 0.62719862] [0.25476269 0.86055524 0.62372479] [0.500814 0.50856279 0.49927167] [0.13993499 0.24424465 0.36497334] [0.86022023 0.74359176 0.38416909] [0.49920156 0.0082333 0.25253956] [0.63966207 0.75573603 0.88519502] [0.24485441 0.63977308 0.12334578] [0.36045335 0.25630686 0.86548107] [0.74480851 0.36007319 0.1262619 ] [0.99878983 0.99201863 0.99876484]]spacegroup = 1cell = [[8.2006, 0, 0], [0.0002308944936374, 8.2682999967761, 0], [0.00050603046451165, 0.00025646706392097, 3.9716999594831]]========================================= 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":4.21,"usertime":4.19,"systime":10.85,"memmax":205636,"memavg":0} output/kim.log: --------------- 2023-04-03:14:59:45MDT * 0 * information * 0x2d99e20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:59:45MDT * 1 * information * 0x2d99e20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-04-03:14:59:45MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d99e20'.2023-04-03:14:59:45MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:59:45MDT * 0 * information * 0x2d99e20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:59:45MDT * 0 * information * 0x2d9a250 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:59:45MDT * 1 * information * 0x2d9a250 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d99e20_Collections'.2023-04-03:14:59:45MDT * 2 * information * 0x2d99e20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d9a250'.2023-04-03:14:59:45MDT * 3 * information * 0x2d99e20_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:59:45MDT * 1 * information * 0x2d99e20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:59:45MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d99e20'.2023-04-03:14:59:45MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:59:45MDT * 0 * information * 0x2d99e20 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:59:45MDT * 0 * information * 0x2d9b570 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-04-03:14:59:45MDT * 1 * information * 0x2d9b570 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2d99e20_Collections'.2023-04-03:14:59:45MDT * 2 * information * 0x2d99e20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d9b570'.2023-04-03:14:59:45MDT * 3 * information * 0x2d99e20_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-04-03:14:59:45MDT * 1 * information * 0x2d99e20 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-04-03:14:59:45MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2d99e20'.2023-04-03:14:59:45MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.