MK-CCSD on Kogence isn't much faster as expected.


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Re: MK-CCSD on Kogence isn't much faster as expected
Vladimir,

I suggest you try running same problem on 8 threads, 16 threads and 32 threads on Kogence and see how computational time is scaling. I am guessing may be able to see that performance improves linearly initially and sub-linearly later.

As Sean said, most computational algorithms do not scale linearly. Scaling is also problem dependent.
You also have to understand what is taking time. If you try to run a very small problem on a 128 core computer, you dont expect to see much benefit because overhead is more expense and your problem is small enough to not compensate for overhead.