/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) /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_303890932454_004-and-MO_399431830125_001-1637468516/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_303890932454_004-and-MO_399431830125_001-1637468516/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_303890932454_004-and-MO_399431830125_001-1637468516/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_303890932454_004-and-MO_399431830125_001-1637468516/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] /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_303890932454_004-and-MO_399431830125_001-1637468516/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":121.54,"usertime":125.96,"systime":19.67,"memmax":88892,"memavg":0}