Traceback (most recent call last): File "/disk2/worker/repository/td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002/compute_isolated_atom_energy.py", line 82, in compute_isolated_atom_energy ["lammps", "-i", lammps_input_file], shell=False, stdout=fnull File "/usr/lib/python3.6/subprocess.py", line 311, in check_call raise CalledProcessError(retcode, cmd) subprocess.CalledProcessError: Command '['lammps', '-i', 'output/isolated_atom_energy.lammps']' returned non-zero exit status 1. During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/disk2/worker/repository/td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002/runner", line 81, in output_dir="output", model_name=model_name, species=species File "/disk2/worker/repository/td/GrainBoundaryCubicCrystalSymmetricTiltRelaxedEnergyVsAngle__TD_410381120771_002/compute_isolated_atom_energy.py", line 91, in compute_isolated_atom_energy raise RuntimeError("LAMMPS did not exit properly:\n" + extrainfo) RuntimeError: LAMMPS did not exit properly: LAMMPS log file output/isolated_atom_energy.lammps.log not found Command exited with non-zero status 1 {"usertime":0.26,"memmax":39300,"memavg":0}