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: ----------------------- number of parameter sets:1Parameter values for parameter set 0:['5.6272', '0.99905815', '1.5106625', '71.7486', '81.0011', '67.5846', '0.74338295', '0.76403472', '0.017287222', '0.2333345', '0.48083555', '0.56326487', '0.26449476', '0.047315826', '0.39141904', '0.23505325', '0.60108305', '0.17034009', '0.95781246', '0.34627099', '0.19371201', '0.95720252', '0.85003649', '0.35177504', '0.64819043', '0.1518008', '0.086427331', '0.5365616', '0.29109739', '0.37272504', '0.77559317', '0.15671845', '0.24710873']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Na', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'Si']representative atom coordinates = [[0.74338295 0.76403472 0.01728722] [0.2333345 0.48083555 0.56326487] [0.26449476 0.04731583 0.39141904] [0.23505325 0.60108305 0.17034009] [0.95781246 0.34627099 0.19371201] [0.95720252 0.85003649 0.35177504] [0.64819043 0.1518008 0.08642733] [0.5365616 0.29109739 0.37272504] [0.77559317 0.15671845 0.24710873]]spacegroup = 2cell = [[5.6272, 0, 0], [2.1437365143086, 5.197129339089, 0], [1.3296569058326, 2.3314747898852, 8.0659679181671]]========================================= 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":3.75,"usertime":3.95,"systime":13.65,"memmax":190016,"memavg":0} output/kim.log: --------------- 2023-11-17:13:54:39MST * 0 * information * 0x2f735d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:54:39MST * 1 * information * 0x2f735d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-17:13:54:39MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f735d0'.2023-11-17:13:54:39MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:54:39MST * 0 * information * 0x2f735d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:54:39MST * 0 * information * 0x2f739b0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:54:39MST * 1 * information * 0x2f739b0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f735d0_Collections'.2023-11-17:13:54:39MST * 2 * information * 0x2f735d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f739b0'.2023-11-17:13:54:39MST * 3 * information * 0x2f735d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:54:39MST * 1 * information * 0x2f735d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:54:39MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f735d0'.2023-11-17:13:54:39MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:54:39MST * 0 * information * 0x2f735d0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:54:39MST * 0 * information * 0x2f74b00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-17:13:54:39MST * 1 * information * 0x2f74b00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2f735d0_Collections'.2023-11-17:13:54:39MST * 2 * information * 0x2f735d0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f74b00'.2023-11-17:13:54:39MST * 3 * information * 0x2f735d0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-17:13:54:39MST * 1 * information * 0x2f735d0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-17:13:54:39MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2f735d0'.2023-11-17:13:54:39MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.