Applications, tools and techniques on the road to exascale computing

This volume of the book series “Advances in Parallel Computing” contains the proceedings of ParCo2011, the 14th biennial ParCo Conference, held from 31 August to 3 September 2011, in Ghent, Belgium. In an era when physical limitations have slowed down advances in the performance of single processing units, and new scientific challenges require exascale speed, parallel processing has gained momentum as a key gateway to HPC (High Performance Computing). Historically, the ParCo conferences have focused on three main themes: Algorithms, Architectures (both hardware and software) and Applications. Nowadays, the scenery has changed from traditional multiprocessor topologies to heterogeneous manycores, incorporating standard CPUs, GPUs (Graphics Processing Units) and FPGAs (Field Programmable Gate Arrays). These platforms are, at a higher abstraction level, integrated in clusters, grids, and clouds. This is reflected in the papers presented at the conference and the contributions as included in these proceedings. An increasing number of new algorithms are optimized for heterogeneous platforms and performance tuning is targeting extreme scale computing. Heterogeneous platforms utilising the compute power and energy efficiency of GPGPUs (General Purpose GPUs) are clearly becoming mainstream HPC systems for a large number of applications in a wide spectrum of application areas. These systems excel in areas such as complex system simulation, real-time image processing and visualisation, etc. High performance computing accelerators may well become the cornerstone of exascale computing applications such as 3-D turbulent combustion flows, nuclear energy simulations, brain research, financial and geophysical modelling. The exploration of new architectures, programming tools and techniques was evidenced by the mini-symposia “Parallel Computing with FPGAs” and “Exascale Programming Models”. The need for exascale hardware and software was also stressed in the industrial session, with contributions from Cray and the European exascale software initiative. Our sincere appreciation goes to the keynote speakers who gave their perspectives on the impact of parallel computing today and the road to exascale computing tomorrow. Our heartfelt thanks go to the authors for their valuable scientific contributions and to the programme committee who reviewed the papers and provided constructive remarks. The international audience was inspired by the quality of the presentations. The attendance and interaction was high and the conference has been an agora where many fruitful ideas were exchanged and explored. We wish to express our sincere thanks to the organizers for the smooth operation of the conference. The University conference centre Het Pand offered an excellent environment for the conference as it allowed delegates to interact informally and easily. A special word of thanks is due to the management and support staff of Het Pand for their proficient and friendly support. The organizers managed to put together an extensive social programme. This included a reception at the medieval Town Hall of Ghent as well as a memorable conference dinner. These social events stimulated interaction amongst delegates and resulted in many new contacts being made. Finally we wish to thank all the many supporters who assisted in the organization and successful running of the event. Erik D'Hollander, Ghent University, Belgium Koen De Bosschere, Ghent University, Belgium Gerhard R. Joubert, TU Clausthal, Germany David Padua, University of Illinois, USA Frans Peters, Philips Research, Netherland

Automating Fault Tolerance in High-Performance Computational Biological Jobs Using Multi-Agent Approaches

Background: Large-scale biological jobs on high-performance computing systems require manual intervention if one or more computing cores on which they execute fail. This places not only a cost on the maintenance of the job, but also a cost on the time taken for reinstating the job and the risk of losing data and execution accomplished by the job before it failed. Approaches which can proactively detect computing core failures and take action to relocate the computing core's job onto reliable cores can make a significant step towards automating fault tolerance. Method: This paper describes an experimental investigation into the use of multi-agent approaches for fault tolerance. Two approaches are studied, the first at the job level and the second at the core level. The approaches are investigated for single core failure scenarios that can occur in the execution of parallel reduction algorithms on computer clusters. A third approach is proposed that incorporates multi-agent technology both at the job and core level. Experiments are pursued in the context of genome searching, a popular computational biology application. Result: The key conclusion is that the approaches proposed are feasible for automating fault tolerance in high-performance computing systems with minimal human intervention. In a typical experiment in which the fault tolerance is studied, centralised and decentralised checkpointing approaches on an average add 90% to the actual time for executing the job. On the other hand, in the same experiment the multi-agent approaches add only 10% to the overall execution time.Comment: Computers in Biology and Medicin

Minimizing synchronizations in sparse iterative solvers for distributed supercomputers

Eliminating synchronizations is one of the important techniques related to minimizing communications for modern high performance computing. This paper discusses principles of reducing communications due to global synchronizations in sparse iterative solvers on distributed supercomputers. We demonstrates how to minimizing global synchronizations by rescheduling a typical Krylov subspace method. The benefit of minimizing synchronizations is shown in theoretical analysis and is verified by numerical experiments using up to 900 processors. The experiments also show the communication complexity for some structured sparse matrix vector multiplications and global communications in the underlying supercomputers are in the order P1/2.5 and P4/5 respectively, where P is the number of processors and the experiments were carried on a Dawning 5000A

Modernizing PHCpack through phcpy

PHCpack is a large software package for solving systems of polynomial equations. The executable phc is menu driven and file oriented. This paper describes the development of phcpy, a Python interface to PHCpack. Instead of navigating through menus, users of phcpy solve systems in the Python shell or via scripts. Persistent objects replace intermediate files.Comment: Part of the Proceedings of the 6th European Conference on Python in Science (EuroSciPy 2013), Pierre de Buyl and Nelle Varoquaux editors, (2014