/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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))
/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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))
/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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-eb930ea9-f706-4b1d-83c9-f72fea95d1bd-007-72c09a27-638c-4f91-b4a6-795c42717896/VC_303890932454_004-and-MO_408791041969_004-1638748344/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":47.17,"usertime":48.77,"systime":20.43,"memmax":76212,"memavg":0}