| 3:49:33 PM PDT - Fri, Oct 5th 2012 |
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I have a question about the ccsd(t) job size.
Right now, I am running a couple of CCSD(T) single point jobs.
I have 3 jobs dealing with reactant, transition state and product.
Simply those jobs have the same number of basis function, the same number of valence electrons, etc.
I ran them with the same memory and the same number of nodes.
however, the transition state may takes more than 2 times of wall time of that for the reactant and production.
So why is there so much difference?
What kind of factors contribute the job size?
thanks a lot.
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