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: ----------------------- AFLOW prototype label:A2B_oP12_33_2a_aParameter names:['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']model type (only 'standard' supported at this time):standardnumber of parameter sets:1Parameter values for parameter set 0:['5.097', '1.3947224', '1.0023936', '0.9872638', '0.45381962', '0.29653077', '0.84060886', '0.79860566', '0.45389665', '0.95649465', '0.37519346', '0.99958257']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['O', 'O', 'Si']representative atom coordinates = [[0.9872638 0.45381962 0.29653077] [0.84060886 0.79860566 0.45389665] [0.95649465 0.37519346 0.99958257]]spacegroup = 33cell = [[5.097, 0, 0], [0, 7.1089, 0], [0, 0, 5.1092]]========================================= 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":3.30,"usertime":6.20,"systime":20.36,"memmax":151260,"memavg":0} output/kim.log: --------------- 2023-09-19:18:11:26MDT * 0 * information * 0x2930ac0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:11:26MDT * 1 * information * 0x2930ac0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-19:18:11:26MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2930ac0'.2023-09-19:18:11:26MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:11:26MDT * 0 * information * 0x2930ac0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:11:26MDT * 0 * information * 0x2931160 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:11:26MDT * 1 * information * 0x2931160 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2930ac0_Collections'.2023-09-19:18:11:26MDT * 2 * information * 0x2930ac0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2931160'.2023-09-19:18:11:26MDT * 3 * information * 0x2930ac0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:11:26MDT * 1 * information * 0x2930ac0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:11:26MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2930ac0'.2023-09-19:18:11:26MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:11:26MDT * 0 * information * 0x2930ac0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:11:26MDT * 0 * information * 0x2932690 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:11:26MDT * 1 * information * 0x2932690 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2930ac0_Collections'.2023-09-19:18:11:26MDT * 2 * information * 0x2930ac0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2932690'.2023-09-19:18:11:26MDT * 3 * information * 0x2930ac0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:11:26MDT * 1 * information * 0x2930ac0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:11:26MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2930ac0'.2023-09-19:18:11:26MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.