Leveraging legacy codes to distributed problem solving environments: A web service approach

This paper describes techniques used to leverage high performance legacy codes as CORBA components to a distributed problem solving environment. It first briefly introduces the software architecture adopted by the environment. Then it presents a CORBA oriented wrapper generator (COWG) which can be used to automatically wrap high performance legacy codes as CORBA components. Two legacy codes have been wrapped with COWG. One is an MPI-based molecular dynamic simulation (MDS) code, the other is a finite element based computational fluid dynamics (CFD) code for simulating incompressible Navier-Stokes flows. Performance comparisons between runs of the MDS CORBA component and the original MDS legacy code on a cluster of workstations and on a parallel computer are also presented. Wrapped as CORBA components, these legacy codes can be reused in a distributed computing environment. The first case shows that high performance can be maintained with the wrapped MDS component. The second case shows that a Web user can submit a task to the wrapped CFD component through a Web page without knowing the exact implementation of the component. In this way, a user’s desktop computing environment can be extended to a high performance computing environment using a cluster of workstations or a parallel computer

A Tale of Two Data-Intensive Paradigms: Applications, Abstractions, and Architectures

Scientific problems that depend on processing large amounts of data require overcoming challenges in multiple areas: managing large-scale data distribution, co-placement and scheduling of data with compute resources, and storing and transferring large volumes of data. We analyze the ecosystems of the two prominent paradigms for data-intensive applications, hereafter referred to as the high-performance computing and the Apache-Hadoop paradigm. We propose a basis, common terminology and functional factors upon which to analyze the two approaches of both paradigms. We discuss the concept of "Big Data Ogres" and their facets as means of understanding and characterizing the most common application workloads found across the two paradigms. We then discuss the salient features of the two paradigms, and compare and contrast the two approaches. Specifically, we examine common implementation/approaches of these paradigms, shed light upon the reasons for their current "architecture" and discuss some typical workloads that utilize them. In spite of the significant software distinctions, we believe there is architectural similarity. We discuss the potential integration of different implementations, across the different levels and components. Our comparison progresses from a fully qualitative examination of the two paradigms, to a semi-quantitative methodology. We use a simple and broadly used Ogre (K-means clustering), characterize its performance on a range of representative platforms, covering several implementations from both paradigms. Our experiments provide an insight into the relative strengths of the two paradigms. We propose that the set of Ogres will serve as a benchmark to evaluate the two paradigms along different dimensions.Comment: 8 pages, 2 figure

DART-MPI: An MPI-based Implementation of a PGAS Runtime System

A Partitioned Global Address Space (PGAS) approach treats a distributed system as if the memory were shared on a global level. Given such a global view on memory, the user may program applications very much like shared memory systems. This greatly simplifies the tasks of developing parallel applications, because no explicit communication has to be specified in the program for data exchange between different computing nodes. In this paper we present DART, a runtime environment, which implements the PGAS paradigm on large-scale high-performance computing clusters. A specific feature of our implementation is the use of one-sided communication of the Message Passing Interface (MPI) version 3 (i.e. MPI-3) as the underlying communication substrate. We evaluated the performance of the implementation with several low-level kernels in order to determine overheads and limitations in comparison to the underlying MPI-3.Comment: 11 pages, International Conference on Partitioned Global Address Space Programming Models (PGAS14

Scientific Computing Meets Big Data Technology: An Astronomy Use Case

Scientific analyses commonly compose multiple single-process programs into a dataflow. An end-to-end dataflow of single-process programs is known as a many-task application. Typically, tools from the HPC software stack are used to parallelize these analyses. In this work, we investigate an alternate approach that uses Apache Spark -- a modern big data platform -- to parallelize many-task applications. We present Kira, a flexible and distributed astronomy image processing toolkit using Apache Spark. We then use the Kira toolkit to implement a Source Extractor application for astronomy images, called Kira SE. With Kira SE as the use case, we study the programming flexibility, dataflow richness, scheduling capacity and performance of Apache Spark running on the EC2 cloud. By exploiting data locality, Kira SE achieves a 2.5x speedup over an equivalent C program when analyzing a 1TB dataset using 512 cores on the Amazon EC2 cloud. Furthermore, we show that by leveraging software originally designed for big data infrastructure, Kira SE achieves competitive performance to the C implementation running on the NERSC Edison supercomputer. Our experience with Kira indicates that emerging Big Data platforms such as Apache Spark are a performant alternative for many-task scientific applications

Going Stupid with EcoLab

In 2005, Railsback et al. proposed a very simple model ({\em Stupid Model}) that could be implemented within a couple of hours, and later extended to demonstrate the use of common ABM platform functionality. They provided implementations of the model in several agent based modelling platforms, and compared the platforms for ease of implementation of this simple model, and performance. In this paper, I implement Railsback et al's Stupid Model in the EcoLab simulation platform, a C++ based modelling platform, demonstrating that it is a feasible platform for these sorts of models, and compare the performance of the implementation with Repast, Mason and Swarm versions

Checkpointing as a Service in Heterogeneous Cloud Environments

A non-invasive, cloud-agnostic approach is demonstrated for extending existing cloud platforms to include checkpoint-restart capability. Most cloud platforms currently rely on each application to provide its own fault tolerance. A uniform mechanism within the cloud itself serves two purposes: (a) direct support for long-running jobs, which would otherwise require a custom fault-tolerant mechanism for each application; and (b) the administrative capability to manage an over-subscribed cloud by temporarily swapping out jobs when higher priority jobs arrive. An advantage of this uniform approach is that it also supports parallel and distributed computations, over both TCP and InfiniBand, thus allowing traditional HPC applications to take advantage of an existing cloud infrastructure. Additionally, an integrated health-monitoring mechanism detects when long-running jobs either fail or incur exceptionally low performance, perhaps due to resource starvation, and proactively suspends the job. The cloud-agnostic feature is demonstrated by applying the implementation to two very different cloud platforms: Snooze and OpenStack. The use of a cloud-agnostic architecture also enables, for the first time, migration of applications from one cloud platform to another.Comment: 20 pages, 11 figures, appears in CCGrid, 201

High-Performance Cloud Computing: A View of Scientific Applications

Scientific computing often requires the availability of a massive number of computers for performing large scale experiments. Traditionally, these needs have been addressed by using high-performance computing solutions and installed facilities such as clusters and super computers, which are difficult to setup, maintain, and operate. Cloud computing provides scientists with a completely new model of utilizing the computing infrastructure. Compute resources, storage resources, as well as applications, can be dynamically provisioned (and integrated within the existing infrastructure) on a pay per use basis. These resources can be released when they are no more needed. Such services are often offered within the context of a Service Level Agreement (SLA), which ensure the desired Quality of Service (QoS). Aneka, an enterprise Cloud computing solution, harnesses the power of compute resources by relying on private and public Clouds and delivers to users the desired QoS. Its flexible and service based infrastructure supports multiple programming paradigms that make Aneka address a variety of different scenarios: from finance applications to computational science. As examples of scientific computing in the Cloud, we present a preliminary case study on using Aneka for the classification of gene expression data and the execution of fMRI brain imaging workflow.Comment: 13 pages, 9 figures, conference pape

Minerva and minepy: a C engine for the MINE suite and its R, Python and MATLAB wrappers

We introduce a novel implementation in ANSI C of the MINE family of algorithms for computing maximal information-based measures of dependence between two variables in large datasets, with the aim of a low memory footprint and ease of integration within bioinformatics pipelines. We provide the libraries minerva (with the R interface) and minepy for Python, MATLAB, Octave and C++. The C solution reduces the large memory requirement of the original Java implementation, has good upscaling properties, and offers a native parallelization for the R interface. Low memory requirements are demonstrated on the MINE benchmarks as well as on large (n=1340) microarray and Illumina GAII RNA-seq transcriptomics datasets. Availability and Implementation: Source code and binaries are freely available for download under GPL3 licence at http://minepy.sourceforge.net for minepy and through the CRAN repository http://cran.r-project.org for the R package minerva. All software is multiplatform (MS Windows, Linux and OSX).Comment: Bioinformatics 2012, in pres