GPU accelerated simulations of time-dependent coherent x-ray scattering experiments

Himanshu Goel; Oleg Chubar; Lutz Wiegart; Andrei Fluerasu; Ruizi Li; An He; Max Rakitin; Meifeng Lin; Paul Moeller; Robert Nagler

doi:10.1117/12.2677888

5 October 2023 GPU accelerated simulations of time-dependent coherent x-ray scattering experiments

Himanshu Goel, Oleg Chubar, Lutz Wiegart, Andrei Fluerasu, Ruizi Li, An He, Max Rakitin, Meifeng Lin, Paul Moeller, Robert Nagler

Author Affiliations +

Proceedings Volume 12697, Advances in Computational Methods for X-Ray Optics VI; 1269709 (2023) https://doi.org/10.1117/12.2677888
Event: SPIE Optical Engineering + Applications, 2023, San Diego, California, United States

Abstract

Detailed physical optics simulations of beamlines and experiments offer great value towards efficiently utilizing light source facilities. They make it possible to study their predicted behaviors under configurations which can be controlled more precisely than in physical experiments. Synchrotron Radiation Workshop (SRW) is a state-of-the-art software package for such simulations. Through its Python-based interface and browser-based interface Sirepo, SRW supports the definition of detailed optical schemes with many types of optical elements, and the simulation of radiation propagation through them. SRW has been mainly focused on CPU-based calculations; however, due to many of the operations being embarrassingly parallel, there is significant potential for accelerating these calculations using general-purpose GPU computation. In this work, the application of GPU accelerated computing to SRW for accelerating time-dependent coherent x-ray scattering experiments is discussed. A detailed simulation of a typical X-ray Photon Correlation Spectroscopy experiment for characterizing the dynamics of a colloidal sample was performed. Large improvements in simulation speed were demonstrated by converting the radiation propagation operations for the associated optical elements to use GPU computation. Combined with coherent mode decomposition, this resulted in a qualitative leap forward in the calculation speed and level of detail at which similar partially coherent scattering experiments can be simulated. These improvements have wide-ranging applications, such as assisting in the development of improved data processing methods and allowing for more detailed analysis of proposed experiments before using beam time.

Conference Presentation

(2023) Published by SPIE. Downloading of the abstract is permitted for personal use only.

Citation Download Citation

Himanshu Goel, Oleg Chubar, Lutz Wiegart, Andrei Fluerasu, Ruizi Li, An He, Max Rakitin, Meifeng Lin, Paul Moeller, and Robert Nagler "GPU accelerated simulations of time-dependent coherent x-ray scattering experiments", Proc. SPIE 12697, Advances in Computational Methods for X-Ray Optics VI, 1269709 (5 October 2023); https://doi.org/10.1117/12.2677888

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