/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_303890932454_004-and-MO_657096500078_000-1657921058/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_303890932454_004-and-MO_657096500078_000-1657921058/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_303890932454_004-and-MO_657096500078_000-1657921058/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_303890932454_004-and-MO_657096500078_000-1657921058/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_303890932454_004-and-MO_657096500078_000-1657921058/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) {"realtime":55.19,"usertime":59.80,"systime":19.42,"memmax":100880,"memavg":0}