Adaptation of SPSIM for Simulation of Diffraction Images in XFEL Experiments

AbstractThe new free-electron lasers (FELs) open up new possibilities for the study of biological particles such as proteins and viruses. Development of new data analysis algorithms requires large datasets of diffraction images produced by simulation. Existing programs are not capable of effective use of modern computational resources, and especially not adapted to the hybrid architecture with GPU. We explored the possibility of performance increase in the SPSIM program for simulation of large datasets of diffraction images, using CUDA technology. Also, we have implemented new capabilities in simulation of FEL experiments special features