While the use of enhanced sampling techniques and parallelcomputing to determine potentials of mean force is in widespread use in modern Molecular Dynamics and Monte Carlo simulation studies, there have been few meth...
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ISBN:
(纸本)9783642281440
While the use of enhanced sampling techniques and parallelcomputing to determine potentials of mean force is in widespread use in modern Molecular Dynamics and Monte Carlo simulation studies, there have been few methods that efficiently combine heterogeneous computer resources of varying quality and speeds in realizing a single simulation result on a distributed network. Here, we apply an algorithm based on the Monte Carlo method of Wang and Landau within a client-server framework, in which individual computing nodes report a histogram of regions of phase space visited and corresponding updates to a centralized server at regular intervals entirely asynchronously. the server combines the data and reports the sum to all nodes so that the overall free energy determination scales linearly withthe total amount of resources allocated. We discuss our development of this technique and present results for molecular simulations of DNA.
this paper presents a novel approach for the classification of the religious scriptures, the Hadith (sayings of Prophet Muhammad (plural Ahadith)). Muhadith is a distributed, Cloud based expert system that uses the Ha...
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ISBN:
(纸本)9780769549279;9781467349468
this paper presents a novel approach for the classification of the religious scriptures, the Hadith (sayings of Prophet Muhammad (plural Ahadith)). Muhadith is a distributed, Cloud based expert system that uses the Hadith science to classify Ahadith among 24 types from seven broad categories. Classification of the Hadith is a complex and sensitive task, and can only be performed by an expert of the Hadith sciences. Muhadith expert system is designed to imitate the Hadith experts for Hadith classification, and to enable a computer to behave like a Hadith expert to discriminate the authentic Ahadith from unauthentic ones. this paper presents the relationship and mapping of the expert system technology onto Hadith sciences, and technicalities involved in designing of the Muhadith expert system. We also propose solutions for the communicational and interoperability problems faced by the legacy web based distributed expert systems. We employ service oriented architecture to overcome the communicational problem and a candidature for the Software as a Service (SaaS) for the Cloud computing. the expert system also provides a reasoning facility that enables the user to look into the classification details. Muhadith expert system has been designed by merging the ideas from the domains of expert systems, Web technologies, and distributedcomputing systems. this type of an effort on the topic is rare and applying them in the domain of Hadith is our humble contribution.
parallelization and locality optimization of affine loop nests has been successfully addressed for shared-memory machines. However, many large-scale simulation applications must be executed in a distributed-memory env...
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ISBN:
(纸本)9781467308052;9781467308045
parallelization and locality optimization of affine loop nests has been successfully addressed for shared-memory machines. However, many large-scale simulation applications must be executed in a distributed-memory environment, and use irregular/sparse computations where the control-flow and array-access patterns are data-dependent. In this paper, we propose an approach for effective parallel execution of a class of irregular loop computations in a distributed-memory environment, using a combination of static and runtime analysis. We discuss algorithms that analyze sequential code to generate an inspector and an executor. the inspector captures the data-dependent behavior of the computation in parallel and without requiring complete replication of any of the data structures used in the original computation. the executor performs the computation in parallel. the effectiveness of the framework is demonstrated on several benchmarks and a climate modeling application.
Higher global bandwidth requirement for many applications and lower network cost have motivated the use of the Dragonfly network topology for high performance computing systems. In this paper we present the architectu...
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ISBN:
(纸本)9781467308052;9781467308045
Higher global bandwidth requirement for many applications and lower network cost have motivated the use of the Dragonfly network topology for high performance computing systems. In this paper we present the architecture of the Cray Cascade system, a distributed memory system based on the Dragonfly [1] network topology. We describe the structure of the system, its Dragonfly network and the routing algorithms. We describe a set of advanced features supporting both mainstream high performance computingapplications and emerging global address space programing models. We present a combination of performance results from prototype systems and simulation data for large systems. We demonstrate the value of the Dragonfly topology and the benefits obtained through extensive use of adaptive routing.
In this paper we investigate the parallelization of the ILUPACK library for the solution of sparse linear systems on distributed-memory multiprocessors. the parallelization approach employs multilevel graph partitioni...
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ISBN:
(纸本)9783642281501;9783642281518
In this paper we investigate the parallelization of the ILUPACK library for the solution of sparse linear systems on distributed-memory multiprocessors. the parallelization approach employs multilevel graph partitioning algorithms in order to identify a set of concurrent tasks and their dependencies, which are then statically mapped to processors. Experimental results on a cluster of Intel QuadCore processors report remarkable speed-ups.
Heterogeneous machines are gaining momentum in the High Performance computing field, due to the theoretical speedups and power consumption. In practice, while some applications meet the performance expectations, heter...
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the applicability of parallel discrete event simulation to design and evaluation of ad hoc networks is discussed. In this paper we describe the design, functionality, implementation and performance of our software sys...
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ISBN:
(纸本)9783642281501;9783642281518
the applicability of parallel discrete event simulation to design and evaluation of ad hoc networks is discussed. In this paper we describe the design, functionality, implementation and performance of our software system named MobASim. It is a Java-based integrated framework for wireless sensor and mobile ad hoc networks simulation performed on parallel computers and computer clusters that utilizes the paradigm of federating simulators and asynchronous distributed simulation technology. the computational results presented in the final part of the paper show the efficiency of parallel simulation performed upon MobASim and the application of our tool to design self-organizing communication network.
As the performance gains from traditional processors decline, alternative processor designs are becoming available. One such processor is the CELL-BE processor, which theoretically can deliver a sustained performance ...
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ISBN:
(纸本)9783642281501
As the performance gains from traditional processors decline, alternative processor designs are becoming available. One such processor is the CELL-BE processor, which theoretically can deliver a sustained performance close to 205 GFLOPS per processor[10]. Unfortunately, the high performance comes at the price of a quite complex programming model. In this paper we present an easy-to-use, CSP-like, communication method, which enables transfers of shared memory objects. the channel based communication method can significantly reduce the complexity of massively parallel programs. By implementing a few scientific computational cores we show that performance and scalability of the system is acceptable for most problems.
parallel And distributed Simulations (PADS) become more and more spread since scientists always want more accurate results in the shortest time. PADS are often sensitive to several parameters, and when they own a stoc...
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the field of bioinformatics and computational biology is experiencing a data revolution - experimental techniques to procure data have increased in throughput, improved in accuracy and reduced in costs. this has spurr...
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ISBN:
(纸本)9781467323703;9781467323727
the field of bioinformatics and computational biology is experiencing a data revolution - experimental techniques to procure data have increased in throughput, improved in accuracy and reduced in costs. this has spurred an array of high profile sequencing and data generation projects. While the data repositories represent untapped reservoirs of rich information critical for scientific breakthroughs, the analytical software tools that are needed to analyze large volumes of such sequence data have significantly lagged behind in their capacity to scale. In this paper, we address homology detection, which is a fundamental problem in large-scale sequence analysis with numerous applications. We present a scalable framework to conduct large-scale optimal homology detection on massively parallel super-computing platforms. Our approach employs distributed memory work stealing to effectively parallelize optimal pairwise alignment computation tasks. Results on 120,000 cores of the Hopper Cray XE6 supercomputer demonstrate strong scaling and up to 2.42 x 10(7) optimal pairwise sequence alignments computed per second (PSAPS), the highest reported in the literature.
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