Application of parallel hybrid algorithm in massively parallel GPGPU-the improved effective and efficient method for calculating coulombic interactions in simulations of many ions with SIMION

Journal of the American Society for Mass Spectrometry

Volumn 23, Issue 9, 2012, Pages 1609-1615

  Saito, Kenichiro ^a   Koizumi, Eiko ^a   Koizumi, Hideya ^a  

^a ARKANSAS STATE UNIVERSITY   (United States)

Author keywords

Coulomb interaction; Massively parallel algorithm; Simulation

Indexed keywords

BARRIER SYNCHRONIZATION; BASIC MODELS; COULOMB EXPLOSION; COULOMBIC INTERACTIONS; DEVICE SIMULATIONS; EXPLICIT METHOD; GENERAL-PURPOSE COMPUTING; HYBRID ALGORITHMS; HYBRID APPROACH; HYBRID METHOD; ION STORAGE; LATENCY HIDING; PARALLEL CODE; QUADRUPOLES; SERIAL CODES; SIMULATION; TOTAL FORCE; TRAJECTORY CALCULATIONS;

ALGORITHMS; COULOMB INTERACTIONS; DATA TRANSFER; IONS; MASS SPECTROMETRY; PROGRAM PROCESSORS;

COMPUTER SIMULATION;

ARTICLE; CALCULATION; COMPUTER SIMULATION; COMPUTER SYSTEM; COULOMB INTERACTION; DATA PROCESSING; DATA STORAGE DEVICE; GENERAL PURPOSE COMPUTING WITH GRAPHICS PROCESSING UNIT; INFORMATION PROCESSING; LEARNING ALGORITHM; MASS SPECTROMETRY; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION;

LUA;

EID: 84865778501     PISSN: 10440305     EISSN: 18791123     Source Type: Journal    
DOI: 10.1007/s13361-012-0435-6     Document Type: Article

References (9)

1. Saito, K., Reilly, P.T.A., Koizumi, E., Koizumi, H.: A hybrid approach to calculating Coulombic interactions: An effective and efficient method for optimization of simulations of many ions in quadrupole ion storage device with SIMION. Int. J. Mass Spectrom. 315(1), 74-80 (2012)
2. NVIDIA Corporation: NVIDIA CUDA Programming Guide (2006-2011).
3. Dahl, D.A., Delmore, J.E., Appelhans, A.D.: SIMION PC/Ps2 electrostatic lens design program. Rev. Sci. Instrum. 61, 607 (1990)
4. Dahl, D.A.: SIMION for the personal computer in reflection. Int. J. Mass Spectrom. 200, 3-25 (2000) (Pubitemid 32015912)
5. Manura, D., Dahl, D.: SIMION (R) 8.0 User Manual; Scientific Instrument Services Inc., (2008).
6. Ierusalimschy, R., de Figueiredo, L.H., Celes, W.: Lua 5.1 Reference Manual, ISBN 85-903798-3-3 (2006). 7. Douglas, D.J., Frank, A.J., Mao, D.: Linear ion trap in mass spectrometry. Mass Spectrom. Rev. 24, 1-29 (2005)
7. Parks, J.H., Szoke, A.: Simulation of collisional relaxation of trapped ion clouds in the presence of space charge fields. J. Chem. Phys. 103(4), 1422-1439 (1995)
8. Grinfeld, D.E., Kopaev, I.A., Makarov, A.A., Monastyrskiy, M.A.: Equilibrium ion distribution modeling in rf ion traps and guides with regard to Coulomb effects. Nucl. Instr. Methods Phys. Res. A 645, 141-145 (2011)
9. Hager, J.W.A.: New linear ion trap mass spectrometer. Rapid Commun. Mass Spectrom. 16, 512-526 (2002)