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: ----------------------- 1Parameter values for parameter set 0:['4.2363']model name:Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001==== Building ASE atoms object with: ====representative atom symbols = ['H', 'V']representative atom coordinates = [[0.25 0.25 0.25] [0. 0. 0. ]]spacegroup = 225cell = [[4.2363, 0, 0], [0, 4.2363, 0], [0, 0, 4.2363]]========================================= Step Time Energy fmaxBFGS: 0 18:07:50 -99.962903 7.3626BFGS: 1 18:07:50 -101.081202 7.3439BFGS: 2 18:07:50 -102.198958 7.3347BFGS: 3 18:07:50 -103.317917 7.3366BFGS: 4 18:07:50 -104.440129 7.3519BFGS: 5 18:07:50 -105.568120 7.3838BFGS: 6 18:07:50 -106.705030 nan 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 404, in propagate self.set_cell(atoms, change=True) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 328, in set_cell self.lmp.command(cell_cmd) 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: Expected floating point parameter instead of 'nan' in input script or data file (src/change_Command exited with non-zero status 1{"realtime":5.42,"usertime":11.38,"systime":34.49,"memmax":185972,"memavg":0} output/kim.log: --------------- 2023-09-19:18:07:49MDT * 0 * information * 0x22dba80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:49MDT * 1 * information * 0x22dba80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-09-19:18:07:49MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22dba80'.2023-09-19:18:07:49MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:49MDT * 0 * information * 0x22dba80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:49MDT * 0 * information * 0x22e09e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:49MDT * 1 * information * 0x22e09e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x22dba80_Collections'.2023-09-19:18:07:49MDT * 2 * information * 0x22dba80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22e09e0'.2023-09-19:18:07:49MDT * 3 * information * 0x22dba80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:49MDT * 1 * information * 0x22dba80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:07:49MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22dba80'.2023-09-19:18:07:49MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:49MDT * 0 * information * 0x22dba80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:49MDT * 0 * information * 0x22dbf40 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-09-19:18:07:49MDT * 1 * information * 0x22dbf40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x22dba80_Collections'.2023-09-19:18:07:49MDT * 2 * information * 0x22dba80_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22dbf40'.2023-09-19:18:07:49MDT * 3 * information * 0x22dba80_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-19:18:07:49MDT * 1 * information * 0x22dba80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-09-19:18:07:49MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x22dba80'.2023-09-19:18:07:50MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.