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Port Fourier transform of the interaction matrix (D-matrix) to GPU #248

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myurkin opened this issue Aug 3, 2018 · 1 comment
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comp-Logic Related to internal code logic maintainability Simplifies further code development (standardization, robustness) OpenCL Running on GPUs and similar devices pri-Low Kept mostly for reference

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@myurkin
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myurkin commented Aug 3, 2018

Is your feature request related to a problem? Please describe.

Right now the Fourier transform of the D-matrix is done with the FFTW even in OpenCL mode. This brings redundant library dependence and slightly affects performance.

Describe the solution you'd like

In OpenCL mode all Fourier transforms should be made with the clFFT. This package is mature enough.

Additional context

The performance impact is minor since this transform takes place only once. So this is low-priority issue.

@myurkin myurkin added comp-Logic Related to internal code logic pri-Low Kept mostly for reference maintainability Simplifies further code development (standardization, robustness) OpenCL Running on GPUs and similar devices labels Aug 3, 2018
@myurkin myurkin self-assigned this Aug 3, 2018
@myurkin myurkin removed their assignment Apr 24, 2021
@myurkin
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myurkin commented Jun 20, 2024

This becomes more important with modern powerful GPUs, which can make up to 100 iterations of the iterative solver for the same time as CPU-based preparation of Dmatrix.

The good news, however, is that is less important for orientation averaging. For the latter computations, GPU are especially effective even with the current code (potentially also using OCL_BLAS - #199) if not a lot of -ntheta is needed (#226).

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Labels
comp-Logic Related to internal code logic maintainability Simplifies further code development (standardization, robustness) OpenCL Running on GPUs and similar devices pri-Low Kept mostly for reference
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