| 12:01:05 PM PDT - Mon, Oct 28th 2013 |
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Freephys,
I have not been able to reproduce your failure with NWChem 6.3 (in other words, my job completed with no failures).
Could you provide more details about your runs (e.g. NWChem version, hardware, etc ...)?
I would try to restart your calculations after the deleting the CN_SCAN.t2 amplitudes file.
By the way, you might want to modify your freeze line in the ccsd input block,
the aug-ccpvdz basis set is meant to be used to correlate just the valence electrons.
The freeze line should be changed to
freeze atomic
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