/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-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_303890932454_004-and-MO_937008984446_001-1652565043/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-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_303890932454_004-and-MO_937008984446_001-1652565043/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-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_303890932454_004-and-MO_937008984446_001-1652565043/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-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_303890932454_004-and-MO_937008984446_001-1652565043/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-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_303890932454_004-and-MO_937008984446_001-1652565043/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":76.18,"usertime":80.65,"systime":19.63,"memmax":108884,"memavg":0}