Publications

Colin W. Glass, Steffen Reiser, Gábor Rutkai, Stephan Deublein, Andreas Köster, Gabriela Guevara-Carrion, Amer Wafai, Martin Horsch, Martin Bernreuther, Thorsten Windmann, Hans Hasse, and Jadran Vrabec. ms2: A molecular simulation tool for thermodynamic properties, new version release. An International Journal and Program Library for Computational Physics and Physical Chemistry, (185)12:3302--3306, July 2014. [PUMA: myown SCOPE HLRS simulation Carlo Vapor--liquid Monte Molecular dynamics derivatives equilibrium Transport potential properties]

Nikola Tchipev, Amer Wafai, Colin W. Glass, Wolfgang Eckhardt, Alexander Heinecke, Hans-Joachim Bungartz, and Philipp Neumann. Optimized Force Calculation of Molecular Dynamics Simulations for the Intel Xeon Phi. In Jesper Larsson Träff, Sascha Hunold, and Francesco Versaci (Eds.), Euro-Par 2015: Parallel Processing, (9233)Vienna, Austria, August 2015. [PUMA: law myown HLRS distributed gather performance parallelization intel core phi site xeon third absolute processing interaction force operation short shared calculation memory SCOPE molecular range newton yellow cell optimization parallel scatter and colored dynamic linked]