/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) /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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) /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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) /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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] /work2/08773/bwaters/stampede2/bwaters/job-2fbaa64c-47f7-4bcc-9ede-874dcc49dca0-007-0d60cb18-235a-4260-b74f-d53bcfb70564/VC_303890932454_004-and-MO_486450342170_001-1657580886/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":655.04,"usertime":658.24,"systime":20.29,"memmax":125904,"memavg":0}