bgj get scf method: error reading rtdb


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Hi,

I'm getting the error in the subject line; will send log file with echoed input deck upon request (I don't know if it's possible to attach files through this interface). I see the same problem from another user here from ~ June 1 2011, but no resolution posted. Some salient facts:

  • Running on Hopper @ NERSC (Cray XE6)

  • NWChem 6.0 (don't know what microversion)

  • Reading in vectors as initial guess, ~ 300 MB

  • Fresh start (i.e., "start" in input deck, no *.db is present in PERMANENT_DIR), so it's not tripping over an old mismatched db file.


  • Resolution?

    Thanks,
    Chris