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Performance #13

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litman90 opened this issue Dec 5, 2018 · 1 comment
Open

Performance #13

litman90 opened this issue Dec 5, 2018 · 1 comment

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@litman90
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litman90 commented Dec 5, 2018

Hello,

I am trying to compute farthest point sampling for my data set.
It contains ~10000 frames and I want to get 1000 points.
Currently, I am running in a cluster with 10 nodes (400 CPU) and in 11 hours it computes only the first
~ 130 points.
I am using the following flags: --kernel rematch -n 12 -l 8 --gamma 0.1 -c 4.5 --peratom --distance
and my system contains 38 atoms.
Is this the expected performance? Is there any trick I can do to accelerate the calculation beyond reducing the number of considered atoms and/or the data set size?

Regards,
Yair

@ceriottm
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ceriottm commented Dec 6, 2018 via email

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