/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-d46e834a-6b5b-4913-8dca-4b44049793ba-007-82366b02-3843-4a1e-8640-00222456d87d/VC_303890932454_004-and-MO_103383163946_000-1659564695/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-d46e834a-6b5b-4913-8dca-4b44049793ba-007-82366b02-3843-4a1e-8640-00222456d87d/VC_303890932454_004-and-MO_103383163946_000-1659564695/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-d46e834a-6b5b-4913-8dca-4b44049793ba-007-82366b02-3843-4a1e-8640-00222456d87d/VC_303890932454_004-and-MO_103383163946_000-1659564695/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-d46e834a-6b5b-4913-8dca-4b44049793ba-007-82366b02-3843-4a1e-8640-00222456d87d/VC_303890932454_004-and-MO_103383163946_000-1659564695/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-d46e834a-6b5b-4913-8dca-4b44049793ba-007-82366b02-3843-4a1e-8640-00222456d87d/VC_303890932454_004-and-MO_103383163946_000-1659564695/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":53.26,"usertime":57.46,"systime":19.71,"memmax":84016,"memavg":0}