/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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-b664ff43-a08f-45a8-8235-5828d8018741-007-416de85d-f2ee-4844-ae1d-cfb35243e314/VC_303890932454_004-and-MO_343168101490_001-1653194867/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":620.87,"usertime":624.46,"systime":20.30,"memmax":129640,"memavg":0}