/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-eb9bfd44-96c3-407a-bf38-2b14a258628c-007-a28bb200-6017-423d-9696-b3b9c272f675/VC_303890932454_004-and-MO_520569947398_001-1652813557/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-eb9bfd44-96c3-407a-bf38-2b14a258628c-007-a28bb200-6017-423d-9696-b3b9c272f675/VC_303890932454_004-and-MO_520569947398_001-1652813557/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-eb9bfd44-96c3-407a-bf38-2b14a258628c-007-a28bb200-6017-423d-9696-b3b9c272f675/VC_303890932454_004-and-MO_520569947398_001-1652813557/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-eb9bfd44-96c3-407a-bf38-2b14a258628c-007-a28bb200-6017-423d-9696-b3b9c272f675/VC_303890932454_004-and-MO_520569947398_001-1652813557/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-eb9bfd44-96c3-407a-bf38-2b14a258628c-007-a28bb200-6017-423d-9696-b3b9c272f675/VC_303890932454_004-and-MO_520569947398_001-1652813557/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":38.88,"usertime":43.46,"systime":19.53,"memmax":69632,"memavg":0}