| 4:08:48 AM PDT - Mon, Sep 24th 2012 |
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Dear Edo,
Quote:Edoapra Sep 12th 5:43 pm
I was able to run your input.
...
No. of initial right vectors 1
EOM-CCSDT right-hand side iterations
--------------------------------------------------------------
Residuum Omega / hartree Omega / eV Cpu Wall
--------------------------------------------------------------
Iteration 1 using 1 trial vectors
...
Iteration 16 using 16 trial vectors
did the computation finish? I've checked your memory setting on a node having 80 CPUs (512GB of memory) and the computation went to iteration 16 and then did fail (in the same fashion as mentioned above). ;-( I've tried both NWChem version 6.0 and 6.1.1 -- both did fail in the same point of computation... ;-(
So, were there any other iterations or a summary, that the computation had provided?
Thank you VERY MUCH for your time to help me -- I really appreciate it.
--best
Tom Rebok.
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