Traceback (most recent call last): File "/work2/08773/bwaters/stampede2/bwaters/job-c2fca6d1-5719-41a2-8b75-649b2095b072-007-12f40b10-cc0f-41e1-9f7d-5b62a09b0319/VC_303890932454_004-and-MO_912636107108_001-1657581192/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner", line 53, in File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/__init__.py", line 2, in from .kim import KIM, get_model_supported_species File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kim.py", line 17, in from .calculators import ( File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/calculators.py", line 5, in from ase.calculators.lammpsrun import LAMMPS File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpsrun.py", line 43, in from ase.io.lammpsdata import write_lammps_data File "/usr/local/lib/python3.8/dist-packages/ase/io/__init__.py", line 1, in from ase.io.trajectory import Trajectory, PickleTrajectory File "/usr/local/lib/python3.8/dist-packages/ase/io/trajectory.py", line 8, in from ase.constraints import dict2constraint File "/usr/local/lib/python3.8/dist-packages/ase/constraints.py", line 5, in from scipy.linalg import expm, logm File "/usr/local/lib/python3.8/dist-packages/scipy/linalg/__init__.py", line 196, in from .basic import * File "", line 991, in _find_and_load File "", line 975, in _find_and_load_unlocked File "", line 671, in _load_unlocked File "", line 844, in exec_module File "", line 939, in get_code File "", line 1038, in get_data MemoryError Command exited with non-zero status 1 {"realtime":1.45,"usertime":7.05,"systime":18.56,"memmax":52600,"memavg":0}