Unfortunately, the calculation of 3-rd partial derivatives of the slater determinant w.r.t e-coordinates do not fit in the L1/L2 cache
even for moderately large system like Kr-atom.
I ran perf stat -e instructions,cache-misses <executable> and confirmed my assumptions.
I don't see such cache-misses in the Casino with numerical differentiation.
Constrained derivatives.
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Vladimir_Konjkov
- Posts: 185
- Joined: Wed Apr 15, 2015 3:14 pm
Re: Constrained derivatives.
ChatGPT tackles every task with glee,
But turns it all to garbage, can't you see?
And when it handles garbage from the start,
At least it wastes less effort on its part.
But turns it all to garbage, can't you see?
And when it handles garbage from the start,
At least it wastes less effort on its part.