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: ----------------------- ['11.9731', '0.50152425', '0.94185299', '140.1807', '0.071440556', '0.59608681', '0.40337904', '0.48712836', '0.11631266', '0.66164591', '0.66137594', '0.027257763', '0.8771172', '0.74872401', '0.48794531', '0.91451925', '0.89910936', '0.19170512', '0.83117286', '0.47902553', '0.74379232', '0.53960815', '0.99097431', '0.22771877', '0.10722628', '0.26972553', '0.48798324', '0.30589339', '0.31241371', '0.066394673', '0.42412872', '0.16268549', '0.37001246', '0.44318058', '0.57308729', '0.15187275', '0.79622751', '0.19167357', '0.29391325', '0.32754802']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['H', 'H', 'H', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.92855944 0.59608681 0.66806152] [0.51287164 0.11631266 0.82548245] [0.33862406 0.02725776 0.78425874] [0.25127599 0.48794531 0.83420476] [0.10089064 0.19170512 0.0679365 ] [0.52097447 0.74379232 0.93941738] [0.00902569 0.22771877 0.88374803] [0.73027447 0.48798324 0.96383214] [0.68758629 0.06639467 0.88828499] [0.83731451 0.37001246 0.71950491] [0.42691271 0.15187275 0.77685978] [0.80832643 0.29391325 0.86412555]]spacegroup = 14cell = [[7.9445, 0, 0], [0, 6.0048, 0], [2.9535281265638, 0, 10.883250673195]]========================================= 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":6.20,"usertime":4.84,"systime":7.02,"memmax":254208,"memavg":0} output/kim.log: --------------- 2023-11-15:16:31:26MST * 0 * information * 0x21445e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:26MST * 1 * information * 0x21445e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-15:16:31:26MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21445e0'.2023-11-15:16:31:26MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:26MST * 0 * information * 0x21445e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:26MST * 0 * information * 0x2144a70 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:26MST * 1 * information * 0x2144a70 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x21445e0_Collections'.2023-11-15:16:31:26MST * 2 * information * 0x21445e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2144a70'.2023-11-15:16:31:26MST * 3 * information * 0x21445e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:26MST * 1 * information * 0x21445e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:31:26MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21445e0'.2023-11-15:16:31:26MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:26MST * 0 * information * 0x21445e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:26MST * 0 * information * 0x2145c90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:31:26MST * 1 * information * 0x2145c90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x21445e0_Collections'.2023-11-15:16:31:26MST * 2 * information * 0x21445e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2145c90'.2023-11-15:16:31:26MST * 3 * information * 0x21445e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:31:26MST * 1 * information * 0x21445e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:31:26MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x21445e0'.2023-11-15:16:31:26MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.