/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) /scratch.hyperion/kim-jobs/jobs/bwaters/job-02c8c6da-48df-48b0-9f20-cb51b73c3ab7-007-8e24ea76-485c-40c0-9b61-bd3bb320ff1b/VC_303890932454_004-and-MO_774911580446_000-1658805213/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] /scratch.hyperion/kim-jobs/jobs/bwaters/job-02c8c6da-48df-48b0-9f20-cb51b73c3ab7-007-8e24ea76-485c-40c0-9b61-bd3bb320ff1b/VC_303890932454_004-and-MO_774911580446_000-1658805213/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] /scratch.hyperion/kim-jobs/jobs/bwaters/job-02c8c6da-48df-48b0-9f20-cb51b73c3ab7-007-8e24ea76-485c-40c0-9b61-bd3bb320ff1b/VC_303890932454_004-and-MO_774911580446_000-1658805213/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] /scratch.hyperion/kim-jobs/jobs/bwaters/job-02c8c6da-48df-48b0-9f20-cb51b73c3ab7-007-8e24ea76-485c-40c0-9b61-bd3bb320ff1b/VC_303890932454_004-and-MO_774911580446_000-1658805213/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] /scratch.hyperion/kim-jobs/jobs/bwaters/job-02c8c6da-48df-48b0-9f20-cb51b73c3ab7-007-8e24ea76-485c-40c0-9b61-bd3bb320ff1b/VC_303890932454_004-and-MO_774911580446_000-1658805213/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":8.44,"usertime":7.21,"systime":1.69,"memmax":86448,"memavg":0}