Conference paper

Appeared in: High Performance Computing in Science and Engineering ´15

Editor list: Nagel, Wolfgang E.; Kröner, Dietmar H.; Resch, Michael M.

Publication year: 2016

Pages: 51-74

ISBN: 978-3-319-24631-4

eISBN: 978-3-319-24633-8

DOI Link: https://doi.org/10.1007/978-3-319-24633-8_4

Conference: High Performance Computing in Science and Engineering ´15

Abstract: 

Our computation effort is primarily concentrated in support of current and future measurements being carried out at various synchrotron radiation facilities around the globe and for charge transfer experiments. In our work we solve the Schrödinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach from first principles. The time dependent lattice (TDL) method is also used in our work on charge exchange. A brief summary of the methodology and ongoing developments implemented in the R-matrix suite of Breit-Pauli and Dirac-Atomic R-matrix codes (DARC) is presented. We illustrate vividly the sophistication level of large scale petaflop computations necessary to model accurately the spectra currently being measured at various synchrotron radiation facilities. The new Cray XC40 architecture installed at HLRS is playing a vital role in our computational effort.

Harvard Citation style: McLaughlin, B., Ballance, C., Pindzola, M., Schippers, S. and Müller, A. (2016) PAMOP Project: Petaflop Computations in Support of Experiments, in Nagel, W., Kröner, D. and Resch, M. (eds.) High Performance Computing in Science and Engineering ´15. Cham: Springer. pp. 51-74. https://doi.org/10.1007/978-3-319-24633-8_4

APA Citation style: McLaughlin, B., Ballance, C., Pindzola, M., Schippers, S., & Müller, A. (2016). PAMOP Project: Petaflop Computations in Support of Experiments. In Nagel, W., Kröner, D., & Resch, M. (Eds.), High Performance Computing in Science and Engineering ´15. (pp. 51-74). Springer. https://doi.org/10.1007/978-3-319-24633-8_4