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Additional info for High Performance Computing in Science and Engineering ‘13: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2013
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A. Statt, A. Winkler, P. Virnau, K. Binder, J. Phys. Condens. Matter 24, 464122 (2012) 10. A. Winkler, P. Virnau, K. G. Winkler, G. Gompper, J. Chem. Phys. 138, 054901 (2013) 11. A. Winkler, P. Virnau, K. G. Winkler, G. Gompper, Europhys. Lett. 100, 16003 (2012) 12. A. Winkler, A. Statt, P. Virnau, K. Binder, Phys. Rev. E 87(Article ID 032307) (2013) 13. J. Zausch, P. Virnau, K. Binder, J. C. Vink, J. Chem. Phys. 130, 064906 (2009) 14. M. Müller, P. Virnau, J. Chem. Phys. 120, 10925 (2004) 15. F.
6 summarizes our conclusions. 2 Models and Methods For the study of the vapor-liquid like phase transitions, polymers are included explicitly, while for liquid-solid transitions their effect is included only implicity via a suitable effective potential, that can be exactly derived from the AO model, by integrating out the polymer degrees of freedom, if the size ratio q D p = c < 0:154 (we denote the diameter of the polymers by p , and of the colloids by c , respectively). In the standard AO model [1–3], colloids are treated as hard spheres, polymers as soft spheres, which can overlap each other with zero energy cost (while overlap of polymers and colloids is strictly forbidden).
The blue continuous line gives the execution time of the LB GPU code running on the GPU, the red dashed line the time on 8 CPU cores fluctuating LB solver, the CPU-based fluctuating LB solver, and a conventional simulation, in which hydrodynamic interactions are ignored and the thermalization is provided by a Langevin thermostat. The latter is much faster to compute. For static properties, the underlying dynamics is irrelevant, and therefore simple thermostats such as the Langevin are widely employed in molecular simulations.
