RuntimeError: Job process returned error code 1
Traceback (most recent call last):
File "/usr/local/bin/run_openkim_job.py", line 546, in <module>
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:
-----------------------
model name:Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000==== Building ASE atoms object with: ====representative atom symbols = ['H']representative atom coordinates = [[0.33333333 0.66666667 0.25 ]]spacegroup = 194cell = [[4.651, 0, 0], [-2.3255, 4.0278841530014, 0], [0, 0, 3.7169]]========================================= Step Time Energy fmaxBFGS: 0 13:59:48 -0.017943 0.017186BFGS: 1 13:59:48 -0.017953 0.017194BFGS: 2 13:59:48 -0.019988 0.018630BFGS: 3 13:59:48 -0.022185 0.020011BFGS: 4 13:59:48 -0.024536 0.021262BFGS: 5 13:59:48 -0.027023 0.022276BFGS: 6 13:59:48 -0.029619 0.022911BFGS: 7 13:59:48 -0.032278 0.022968BFGS: 8 13:59:48 -0.034935 0.022186BFGS: 9 13:59:48 -0.037493 0.020208BFGS: 10 13:59:48 -0.039819 0.016602
output/pipeline.stderr:
-----------------------
File "../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner", line 142, in <module> forces = atoms.get_forces() 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 502, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 357, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 463, in propagate self.lmp.command('run %d' % n_steps) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 618, 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: Too many ghost atoms (src/REAXFF/pair_reaxff.cpp:541)Command exited with non-zero status 1{"realtime":3.62,"usertime":3.88,"systime":11.37,"memmax":144904,"memavg":0}
output/kim.log:
---------------
2024-05-17:13:59:48MDT * 0 * information * 0x2193c10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:13:59:48MDT * 1 * information * 0x2193c10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-17:13:59:48MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2193c10'.2024-05-17:13:59:48MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:13:59:48MDT * 0 * information * 0x2193c10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:13:59:48MDT * 0 * information * 0x2194230 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:13:59:48MDT * 1 * information * 0x2194230 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2193c10_Collections'.2024-05-17:13:59:48MDT * 2 * information * 0x2193c10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2194230'.2024-05-17:13:59:48MDT * 3 * information * 0x2193c10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:13:59:48MDT * 1 * information * 0x2193c10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:13:59:48MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2193c10'.2024-05-17:13:59:48MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:13:59:48MDT * 0 * information * 0x2193c10 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:13:59:48MDT * 0 * information * 0x2194c90 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-17:13:59:48MDT * 1 * information * 0x2194c90 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2193c10_Collections'.2024-05-17:13:59:48MDT * 2 * information * 0x2193c10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2194c90'.2024-05-17:13:59:48MDT * 3 * information * 0x2193c10_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-17:13:59:48MDT * 1 * information * 0x2193c10 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-17:13:59:48MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2193c10'.2024-05-17:13:59:48MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.