/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-88304a3e-2b8b-4cf2-b5ec-2ca310db3d0b-007-6ab7ab82-5c73-4536-96a6-c5e7373185a9/VC_303890932454_004-and-MO_186459956893_004-1639679328/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-88304a3e-2b8b-4cf2-b5ec-2ca310db3d0b-007-6ab7ab82-5c73-4536-96a6-c5e7373185a9/VC_303890932454_004-and-MO_186459956893_004-1639679328/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-88304a3e-2b8b-4cf2-b5ec-2ca310db3d0b-007-6ab7ab82-5c73-4536-96a6-c5e7373185a9/VC_303890932454_004-and-MO_186459956893_004-1639679328/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-88304a3e-2b8b-4cf2-b5ec-2ca310db3d0b-007-6ab7ab82-5c73-4536-96a6-c5e7373185a9/VC_303890932454_004-and-MO_186459956893_004-1639679328/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-88304a3e-2b8b-4cf2-b5ec-2ca310db3d0b-007-6ab7ab82-5c73-4536-96a6-c5e7373185a9/VC_303890932454_004-and-MO_186459956893_004-1639679328/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":22.06,"usertime":22.61,"systime":18.03,"memmax":68648,"memavg":0}