Speeding Up of Mass Peak Profile Calculation In Quadrupole GCMS Using GPU

Speeding up using a GPU (Graphic Processing Unit) is studied for computer simulation of mass peak profiles in quadrupole GCMS. Calculations of mass peak profiles are much troublesome because it takes much computing time to get those with a personal computer. In particular, in the case of analyzing unexpected weak sub-peaks such as precursor peaks in the profiles, it is necessary to reduce the statistical variation of the profile curve as possible, so that it need calculate many ion trajectories, probably, up to 10-100 millions. In this study, a GPU is installed into a personal Windows computer, and CUDA parallel computing tecnique is appled to simulate mass peak profiles for a mass filter model with cylindrical rods and pre-rods. Its computation time is compared with one calculated using CPU. The result shows the calculation speed of GPU is at least 10-18 times faster than CPU's.