High-performance simulation and simulation methodologies

types: Editorial CommentThe realization of high performance simulation necessitates sophisticated simulation experimentation and optimization; this often requires non-trivial amounts of computing power. Distributed computing techniques and systems found in areas such as High Performance Computing (HPC), High Throughput Computing (HTC), e-infrastructures, grid and cloud computing can provide the required computing capacity for the execution of large and complex simulations. This extends the long tradition of adopting advances in distributed computing in simulation as evidenced by contributions from the parallel and distributed simulation community. There has arguably been a recent acceleration of innovation in distributed computing tools and techniques. This special issue presents the opportunity to showcase recent research that is assimilating these new advances in simulation. This special issue brings together a contemporary collection of work showcasing original research in the advancement of simulation theory and practice with distributed computing. This special issue has two parts. The first part (published in the preceding issue of the journal) included seven studies in high performance simulation that support applications including the study of epidemics, social networks, urban mobility and real-time embedded and cyber-physical systems. This second part focuses on original research in high performance simulation that supports a range of methods including DEVS, Petri nets and DES. Of the four papers for this issue, the manuscript by Bergero, et al. (2013), which was submitted, reviewed and accepted for the special issue, was published in an earlier issue of SIMULATION as the author requested early publication.Research Councils U

Application and support for high-performance simulation

types: Editorial CommentHigh performance simulation that supports sophisticated simulation experimentation and optimization can require non-trivial amounts of computing power. Advanced distributed computing techniques and systems found in areas such as High Performance Computing (HPC), High Throughput Computing (HTC), grid computing, cloud computing and e-Infrastructures are needed to provide effectively the computing power needed for the high performance simulation of large and complex models. In simulation there has been a long tradition of translating and adopting advances in distributed computing as shown by contributions from the parallel and distributed simulation community. This special issue brings together a contemporary collection of work showcasing original research in the advancement of simulation theory and practice with distributed computing. This special issue is divided into two parts. This first part focuses on research pertaining to high performance simulation that support a range of applications including the study of epidemics, social networks, urban mobility and real-time embedded and cyber-physical systems. Compared to other simulation techniques agent-based modeling and simulation is relatively new; however, it is increasingly being used to study large-scale problems. Agent-based simulations present challenges for high performance simulation as they can be complex and computationally demanding, and it is therefore not surprising that this special issue includes several articles on the high performance simulation of such systems.Research Councils U

HPC-GAP: engineering a 21st-century high-performance computer algebra system

Symbolic computation has underpinned a number of key advances in Mathematics and Computer Science. Applications are typically large and potentially highly parallel, making them good candidates for parallel execution at a variety of scales from multi-core to high-performance computing systems. However, much existing work on parallel computing is based around numeric rather than symbolic computations. In particular, symbolic computing presents particular problems in terms of varying granularity and irregular task sizes thatdo not match conventional approaches to parallelisation. It also presents problems in terms of the structure of the algorithms and data. This paper describes a new implementation of the free open-source GAP computational algebra system that places parallelism at the heart of the design, dealing with the key scalability and cross-platform portability problems. We provide three system layers that deal with the three most important classes of hardware: individual shared memory multi-core nodes, mid-scale distributed clusters of (multi-core) nodes, and full-blown HPC systems, comprising large-scale tightly-connected networks of multi-core nodes. This requires us to develop new cross-layer programming abstractions in the form of new domain-specific skeletons that allow us to seamlessly target different hardware levels. Our results show that, using our approach, we can achieve good scalability and speedups for two realistic exemplars, on high-performance systems comprising up to 32,000 cores, as well as on ubiquitous multi-core systems and distributed clusters. The work reported here paves the way towards full scale exploitation of symbolic computation by high-performance computing systems, and we demonstrate the potential with two major case studies

Hypergraph Partitioning in the Cloud

The thesis investigates the partitioning and load balancing problem which has many applications in High Performance Computing (HPC). The application to be partitioned is described with a graph or hypergraph. The latter is of greater interest as hypergraphs, compared to graphs, have a more general structure and can be used to model more complex relationships between groups of objects such as non-symmetric dependencies. Optimal graph and hypergraph partitioning is known to be NP-Hard but good polynomial time heuristic algorithms have been proposed. In this thesis, we propose two multi-level hypergraph partitioning algorithms. The algorithms are based on rough set clustering techniques. The first algorithm, which is a serial algorithm, obtains high quality partitionings and improves the partitioning cut by up to 71\% compared to the state-of-the-art serial hypergraph partitioning algorithms. Furthermore, the capacity of serial algorithms is limited due to the rapid growth of problem sizes of distributed applications. Consequently, we also propose a parallel hypergraph partitioning algorithm. Considering the generality of the hypergraph model, designing a parallel algorithm is difficult and the available parallel hypergraph algorithms offer less scalability compared to their graph counterparts. The issue is twofold: the parallel algorithm and the complexity of the hypergraph structure. Our parallel algorithm provides a trade-off between global and local vertex clustering decisions. By employing novel techniques and approaches, our algorithm achieves better scalability than the state-of-the-art parallel hypergraph partitioner in the Zoltan tool on a set of benchmarks, especially ones with irregular structure. Furthermore, recent advances in cloud computing and the services they provide have led to a trend in moving HPC and large scale distributed applications into the cloud. Despite its advantages, some aspects of the cloud, such as limited network resources, present a challenge to running communication-intensive applications and make them non-scalable in the cloud. While hypergraph partitioning is proposed as a solution for decreasing the communication overhead within parallel distributed applications, it can also offer advantages for running these applications in the cloud. The partitioning is usually done as a pre-processing step before running the parallel application. As parallel hypergraph partitioning itself is a communication-intensive operation, running it in the cloud is hard and suffers from poor scalability. The thesis also investigates the scalability of parallel hypergraph partitioning algorithms in the cloud, the challenges they present, and proposes solutions to improve the cost/performance ratio for running the partitioning problem in the cloud. Our algorithms are implemented as a new hypergraph partitioning package within Zoltan. It is an open source Linux-based toolkit for parallel partitioning, load balancing and data-management designed at Sandia National Labs. The algorithms are known as FEHG and PFEHG algorithms

Theory and design of portable parallel programs for heterogeneous computing systems and networks

A recurring problem with high-performance computing is that advanced architectures generally achieve only a small fraction of their peak performance on many portions of real applications sets. The Amdahl\u27s law corollary of this is that such architectures often spend most of their time on tasks (codes/algorithms and the data sets upon which they operate) for which they are unsuited. Heterogeneous Computing (HC) is needed in the mid 90\u27s and beyond due to ever increasing super-speed requirements and the number of projects with these requirements. HC is defined as a special form of parallel and distributed computing that performs computations using a single autonomous computer operating in both SIMD and MIMD modes, or using a number of connected autonomous computers. Physical implementation of a heterogeneous network or system is currently possible due to the existing technological advances in networking and supercomputing. Unfortunately, software solutions for heterogeneous computing are still in their infancy. Theoretical models, software tools, and intelligent resource-management schemes need to be developed to support heterogeneous computing efficiently. In this thesis, we present a heterogeneous model of computation which encapsulates all the essential parameters for designing efficient software and hardware for HC. We also study a portable parallel programming tool, called Cluster-M, which implements this model. Furthermore, we study and analyze the hardware and software requirements of HC and show that, Cluster-M satisfies the requirements of HC environments

Building Distributed Systems for the Pragmatic Object Web

We review the growing power and capability of commodity computing and communication technologies largely driven by commercial distributed information systems. These systems are built from CORBA, Microsoft\u27s COM, JavaBeans, and rapidly advancing Web approaches. One can abstract these to a three-tier model with largely independent clients connected to a distributed network of servers. The latter host various services including object and relational databases and of course parallel and sequential computing. High performance can be obtained by combining concurrency at the middle server tier with optimized parallel back end services. The resultant system combines the needed performance for large-scale HPCC applications with the rich functionality of commodity systems. Further the architecture with distinct interface, server and specialized service implementation layers, naturally allows advances in each area to be easily incorporated. We illustrate how performance can be obtained within a commodity architecture and we propose a middleware integration approach based on JWORB (Java Web Object Broker) multi-protocol server technology. We illustrate our approach on a set of prototype applications in areas such as collaborative systems, support of multidisciplinary interactions, WebFlow based visual metacomputing, WebFlow over Globus, Quantum Monte Carlo and distributed interactive simulations

A cloud-based enhanced differential evolution algorithm for parameter estimation problems in computational systems biology

This is a post-peer-review, pre-copyedit version of an article published in Cluster Computing. The final authenticated version is available online at: https://doi.org/10.1007/s10586-017-0860-1[Abstract] Metaheuristics are gaining increasing recognition in many research areas, computational systems biology among them. Recent advances in metaheuristics can be helpful in locating the vicinity of the global solution in reasonable computation times, with Differential Evolution (DE) being one of the most popular methods. However, for most realistic applications, DE still requires excessive computation times. With the advent of Cloud Computing effortless access to large number of distributed resources has become more feasible, and new distributed frameworks, like Spark, have been developed to deal with large scale computations on commodity clusters and cloud resources. In this paper we propose a parallel implementation of an enhanced DE using Spark. The proposal drastically reduces the execution time, by means of including a selected local search and exploiting the available distributed resources. The performance of the proposal has been thoroughly assessed using challenging parameter estimation problems from the domain of computational systems biology. Two different platforms have been used for the evaluation, a local cluster and the Microsoft Azure public cloud. Additionally, it has been also compared with other parallel approaches, another cloud-based solution (a MapReduce implementation) and a traditional HPC solution (a MPI implementation)Ministerio de Economía y Competitividad; DPI2014-55276-C5-2-RMinisterio de Economía y Competitividad; TIN2013-42148-PMinisterio de Economía y Competitividad; TIN2016-75845-PXunta de Galicia ; R2016/045Xunta de Galicia; GRC2013/05