Computational challenges in modeling and simulating living matter

Computational modeling has been successfully used to help scientists understand physical and biological phenomena. Recent technological advances allowthe simulation of larger systems, with greater accuracy. However, devising those systems requires new approaches and novel architectures, such as the use of parallel programming, so that the application can run in the new high performance environments, which are often computer clusters composed of different computation devices, as traditional CPUs, GPGPUs, Xeon Phis and even FPGAs. It is expected that scientists take advantage of the increasing computational power to model and simulate more complex structures and even merge different models into larger and more extensive ones. This paper aims at discussing the challenges of using those devices to simulate such complex systems.

[1]  Simon Portegies Zwart,et al.  Performance analysis of direct N-body algorithms for astrophysical simulations on distributed systems , 2007, Parallel Comput..

[2]  Michael Wooldridge,et al.  Introduction to multiagent systems , 2001 .

[3]  Arch D. Robison,et al.  Chapter 3 – Patterns , 2012 .

[4]  Wei Liu,et al.  An implementation of the acoustic wave equation on FPGAs , 2008 .

[5]  Noriyuki Fujimoto,et al.  GPU Accelerated Computation of the Longest Common Subsequence , 2011, Facing the Multicore-Challenge.

[6]  Cristina Boeres,et al.  An Approach to Optimise the Execution of RTM Algorithm in Multicore Machines , 2011, 2011 IEEE Seventh International Conference on eScience.

[7]  Marta Mattoso,et al.  Performance evaluation of parallel strategies in public clouds: A study with phylogenomic workflows , 2013, Future Gener. Comput. Syst..

[8]  Pradeep Dubey,et al.  3.5-D Blocking Optimization for Stencil Computations on Modern CPUs and GPUs , 2010, 2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis.

[9]  Vincent Rodin,et al.  Multi-Agents System to Model Cell Signalling by Using Fuzzy Cognitive Maps. Application to Computer Simulation of Multiple Myeloma , 2009, 2009 Ninth IEEE International Conference on Bioinformatics and BioEngineering.

[10]  Daisuke Takahashi,et al.  Highly scalable implementation of an NN-body code on a GPU cluster , 2013, Comput. Phys. Commun..

[11]  S. B. Needleman,et al.  A general method applicable to the search for similarities in the amino acid sequence of two proteins. , 1970, Journal of molecular biology.

[12]  Dietmar Fey,et al.  High Performance Stencil Code Algorithms for GPGPUs , 2011, ICCS.

[13]  Daniel S. Katz,et al.  Swift/T: Large-Scale Application Composition via Distributed-Memory Dataflow Processing , 2013, 2013 13th IEEE/ACM International Symposium on Cluster, Cloud, and Grid Computing.

[14]  Marina Schroder Facing the Multicore-Challenge - Aspects of New Paradigms and Technologies in Parallel Computing [Proceedings of a conference held at the Heidelberger Akademie der Wissenschaften, March 17-19, 2010] , 2011, Facing the Multicore-Challenge.

[15]  Yang Chen,et al.  Parallel Sequence Alignment Algorithm for Clustering System , 2006, PROLAMAT.

[16]  Sverre J. Aarseth,et al.  Gravitational N-Body Simulations , 2003 .

[17]  Jonathan R. Karr,et al.  A Whole-Cell Computational Model Predicts Phenotype from Genotype , 2012, Cell.

[18]  Mauricio Hanzich,et al.  3D seismic imaging through reverse-time migration on homogeneous and heterogeneous multi-core processors , 2009, HiPC 2009.

[19]  Jonathan Schaeffer,et al.  Generating parallel programs from the wavefront design pattern , 2002, Proceedings 16th International Parallel and Distributed Processing Symposium.

[20]  Arch D. Robison,et al.  Structured Parallel Programming: Patterns for Efficient Computation , 2012 .

[21]  Juliana Freire,et al.  Provenance and scientific workflows: challenges and opportunities , 2008, SIGMOD Conference.