From NWChem
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| 1:57:04 PM PST - Tue, Dec 20th 2011 |
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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
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