DMC 1st Workshop on Distributed Multiscale Computing in conjunction with the IEEE e-Science conference 2011 December 5, 2011, Stockholm, Sweden 7th IEEE International Conference on e-Science

Aims and Scope Multiscale models are composite mathematical models consisting of submodels that describe phenomena at different characteristic length and time scales to allow researchers to study the dynamics of the combined complex system. Each of these submodels can be rich in complexity. The combination of two or more models in a micro-macro fashion is common practice in many fields, e.g. chemical engineering, weather prediction or astrophysics. However, we can form multiscale models in a greater variety of ways, thereby describing even more complex multiscale systems that require multidisciplinary expertise. To model these systems efficiently with high accuracy, researchers require large scale computing facilities that support computational strategies, software and services specifically suited for distributed multiscale computing. This workshop provides a forum for multiscale modelers, framework developers and experts from the distributed infrastructure communities to identify and discuss challenges in and solutions for modeling multiscale systems, as well as their execution on distributed e-infrastructures. With single scale models being well-tested and mature field in many areas, multiscale modeling is now one of the greatest challenges in science today. We aim to bring together modelers of multiscale problems, developers of multiscale applications and frameworks, as well as experts from infrastructure (HPC, Grid and Cloud) communities. The DMC workshop will provide the opportunity to present and discuss the latest advances in distributed multiscale computing and to discuss the establishment of dsitributed multiscale computing standards based on the concepts and techniques presented in the workshop.

Program Times are given relative to the beginning of the timeslot we will get at e-science. 0:00 - 0:10 Welcome/Introduction 0:10 - 0:25 D. Groen, S. Zasada and P. Coveney, Taxonomy of Multiscale Computing Communities. [slides] 0:25 - 0:50 L. Rauch, K. Bzowski and A. Rodzaj, Application of Heterogeneous Computing to CAFE Simulations of Production Processes. [slides] 0:50 - 1:15 K. Rycerz, M. Nowak, P. Pierzchala, M. Bubak, E. Ciepiela and D. Harezlak, Comparision of Cloud and Local HPC approach for MUSCLE-based Multiscale Simulations. [slides] 1:15 - 1:30 J. Bernsdorf, G. Berti, B. Chopard, J. Hegewald, M. Krafczyk, E. Lorenz, A. Hoekstra and D. Wang, Towards Distributed Multiscale Simulation of Biological Processes. 1:30 - 1:55 J. Borgdorff, J.-L. Falcone, E. Lorenz, B. Chopard and A. Hoekstra, A principled approach to distributed multiscale computing, from formalization to execution. [slides] 1:55 - 2:20 D. Groen, J. Suter and P. Coveney, Modelling distributed multiscale simulation performance: an application to nanocomposites. [slides] 2:20 - 2:45 D. Krause and R. Krause, Parallel Scale-Transfer in Multiscale MD-FE Coupling using Remote Memory Access. [slides] 2:45 - 3:00 W. Funika, M. Janczykowski, M. Dudek, A. Kuboszek, K. Jopek and M. Grzegorczyk, Performance Monitoring and Analysis System for MUSCLE-based Applications. [slides]

IEEE e-Science Workshop Proceedings The workshop articles have been published in the IEEE Xplore Digital Library.

Important Dates Full Papers Due EXTENDED TO August 1, 2011 Notification of Acceptance EXTENDED TO August 22, 2011 Camera Ready Papers Due September 16, 2011

Program Committee Marian Bubak, AGH University of Science and Technology, Kraków, Poland David Coster, Max Planck Institute, Germany Bastien Chopard, University of Geneva, Switzerland Peter Coveney, Department of Chemistry, University College London, GB Werner Dubitzky, Ulster University, GB Alfons Hoekstra, University of Amsterdam, The Netherlands Krzysztof Kurowski, PSNC, Poznań, Poland Michael Schiffers, Ludwig-Maximilians-Universitaet, Germany Par Strand, Chalmers Tekniska Hoegskola AB, Sweden Simon Portegies Zwart, Leiden University, The Netherlands Manfred Krafczyk, TU Braunschweig, Germany Jordi Villa, University of Barcelona (Pompeu Fabra), Spain Marek Morzyński, Poznan University of Technology, Poland Valeria Krzhizhanovskaya, University of Amsterdam, NL, St. Petersburg State Polytechnic University, RU Shantenu Jha, Rutgers University, USA Bruce Boghosian, Tufts University, USA

Workshop Organizers Contact: dmc2011@computationalscience.nl Chairs Eric Lorenz, University of Amsterdam, NL Katarzyna Rycerz, AGH University of Science and Technology, Krakow, PL Derek Groen, Centre for Computation Science, Chemistry Department, University College London, UK Bartosz Bosak, PSNC, Poznan, PL