Gregor von Laszewski

Bio: Gregor von Laszewski is an academic researcher from Indiana University. The author has contributed to research in topics: Grid & Grid computing. The author has an hindex of 35, co-authored 133 publications receiving 6063 citations. Previous affiliations of Gregor von Laszewski include Argonne National Laboratory & Ohio State University.

Cloud Computing: a Perspective Study

Abstract: The Cloud computing emerges as a new computing paradigm which aims to provide reliable, customized and QoS guaranteed dynamic computing environments for end-users. In this paper, we study the Cloud computing paradigm from various aspects, such as definitions, distinct features, and enabling technologies. This paper brings an introductional review on the Cloud computing and provides the state-of-the-art of Cloud computing technologies.

QoS guided min-min heuristic for grid task scheduling

Abstract: Task scheduling is an integrated component of computing With the emergence of Grid and ubiquitous computing, new challenges appear in task scheduling based on properties such as security, quality of service, and lack of central control within distributed administrative domains A Grid task scheduling framework must be able to deal with these issues One of the goals of Grid task scheduling is to achieve high system throughput while matching applications with the available computing resources This matching of resources in a nondeterministically shared heterogeneous environment leads to concerns over Quality of Service (QoS) In this paper a novel QoS guided task scheduling algorithm for Grid computing is introduced The proposed novel algorithm is based on a general adaptive scheduling heuristics that includes QoS guidance The algorithm is evaluated within a simulated Grid environment The experimental results show that the new QoS guided Min-Min heuristic can lead to significant performance gain for a variety of applications The approach is compared with others based on the quality of the prediction formulated by inaccurate information

A Java commodity grid kit

Abstract: In this paper we report on the features of the Java Commodity Grid Kit. The Java CoG Kit provides middleware for accessing Grid functionality from the Java framework. Java CoG Kit middleware is general enough to design a variety of advanced Grid applications with quite different user requirements. Access to the Grid is established via Globus protocols, allowing the Java CoG Kit to communicate also with the C Globus reference implementation. Thus, the Java CoG Kit provides Grid developers with the ability to utilize the Grid, as well as numerous additional libraries and frameworks developed by the Java community to enable network, Internet, enterprise, and peer-to peer computing. A variety of projects have successfully used the client libraries of the Java CoG Kit to access Grids driven by the C Globus software. In this paper we also report on the efforts to develop server side Java CoG Kit components. As part of this research we have implemented a prototype pure Java resource management system that enables one to run Globus jobs on platforms on which a Java virtual machine is supported, including Windows NT machines.

Active Thermochemical Tables: thermochemistry for the 21st century

Abstract: Active Thermochemical Tables (ATcT) are a good example of a significant breakthrough in chemical science that is directly enabled by the US DOE SciDAC initiative. ATcT is a new paradigm of how to obtain accurate, reliable, and internally consistent thermochemistry and overcome the limitations that are intrinsic to the traditional sequential approach to thermochemistry. The availability of high-quality consistent thermochemical values is critical in many areas of chemistry, including the development of realistic predictive models of complex chemical environments such as combustion or the atmosphere, or development and improvement of sophisticated high-fidelity electronic structure computational treatments. As opposed to the traditional sequential evolution of thermochemical values for the chemical species of interest, ATcT utilizes the Thermochemical Network (TN) approach. This approach explicitly exposes the maze of inherent interdependencies normally ignored by the conventional treatment, and allows, inter alia, a statistical analysis of the individual measurements that define the TN. The end result is the extraction of the best possible thermochemistry, based on optimal use of all the currently available knowledge, hence making conventional tabulations of thermochemical values obsolete. Moreover, ATcT offer a number of additional features that are neither present nor possible in the traditional approach. With ATcT, new knowledge can be painlessly propagated through all affected thermochemical values. ATcT also allows hypothesis testing and evaluation, as well as discovery of weak links in the TN. The latter provides pointers to new experimental or theoretical determinations that can most efficiently improve the underlying thermochemical body of knowledge.

Power-aware scheduling of virtual machines in DVFS-enabled clusters

Abstract: With the advent of Cloud computing, large-scale virtualized compute and data centers are becoming common in the computing industry. These distributed systems leverage commodity server hardware in mass quantity, similar in theory to many of the fastest Supercomputers in existence today. However these systems can consume a cities worth of power just to run idle, and require equally massive cooling systems to keep the servers within normal operating temperatures. This produces CO 2 emissions and significantly contributes to the growing environmental issue of Global Warming. Green computing, a new trend for high-end computing, attempts to alleviate this problem by delivering both high performance and reduced power consumption, effectively maximizing total system efficiency. This paper focuses on scheduling virtual machines in a compute cluster to reduce power consumption via the technique of Dynamic Voltage Frequency Scaling (DVFS). Specifically, we present the design and implementation of an efficient scheduling algorithm to allocate virtual machines in a DVFS-enabled cluster by dynamically scaling the supplied voltages. The algorithm is studied via simulation and implementation in a multi-core cluster. Test results and performance discussion justify the design and implementation of the scheduling algorithm.

Open Babel: An open chemical toolbox

Abstract: A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de facto standards have arisen (for example, SMILES format), the need to interconvert formats is a continuing problem due to the multitude of different application areas for chemistry data, differences in the data stored by different formats (0D versus 3D, for example), and competition between software along with a lack of vendor-neutral formats. We discuss, for the first time, Open Babel, an open-source chemical toolbox that speaks the many languages of chemical data. Open Babel version 2.3 interconverts over 110 formats. The need to represent such a wide variety of chemical and molecular data requires a library that implements a wide range of cheminformatics algorithms, from partial charge assignment and aromaticity detection, to bond order perception and canonicalization. We detail the implementation of Open Babel, describe key advances in the 2.3 release, and outline a variety of uses both in terms of software products and scientific research, including applications far beyond simple format interconversion. Open Babel presents a solution to the proliferation of multiple chemical file formats. In addition, it provides a variety of useful utilities from conformer searching and 2D depiction, to filtering, batch conversion, and substructure and similarity searching. For developers, it can be used as a programming library to handle chemical data in areas such as organic chemistry, drug design, materials science, and computational chemistry. It is freely available under an open-source license from http://openbabel.org .

The Physiology of the Grid An Open Grid Services Architecture for Distributed Systems Integration

Abstract: In both e-business and e-science, we often need to integrate services across distributed, heterogeneous, dynamic “virtual organizations” formed from the disparate resources within a single enterprise and/or from external resource sharing and service provider relationships. This integration can be technically challenging because of the need to achieve various qualities of service when running on top of different native platforms. We present an Open Grid Services Architecture that addresses these challenges. Building on concepts and technologies from the Grid and Web services communities, this architecture defines a uniform exposed service semantics (the Grid service); defines standard mechanisms for creating, naming, and discovering transient Grid service instances; provides location transparency and multiple protocol bindings for service instances; and supports integration with underlying native platform facilities. The Open Grid Services Architecture also defines, in terms of Web Services Description Language (WSDL) interfaces and associated conventions, mechanisms required for creating and composing sophisticated distributed systems, including lifetime management, change management, and notification. Service bindings can support reliable invocation, authentication, authorization, and delegation, if required. Our presentation complements an earlier foundational article, “The Anatomy of the Grid,” by describing how Grid mechanisms can implement a service-oriented architecture, explaining how Grid functionality can be incorporated into a Web services framework, and illustrating how our architecture can be applied within commercial computing as a basis for distributed system integration—within and across organizational domains. This is a DRAFT document and continues to be revised. The latest version can be found at http://www.globus.org/research/papers/ogsa.pdf. Please send comments to foster@mcs.anl.gov, carl@isi.edu, jnick@us.ibm.com, tuecke@mcs.anl.gov Physiology of the Grid 2

Cloud Computing and Grid Computing 360-Degree Compared

Abstract: Cloud computing has become another buzzword after Web 2.0. However, there are dozens of different definitions for cloud computing and there seems to be no consensus on what a cloud is. On the other hand, cloud computing is not a completely new concept; it has intricate connection to the relatively new but thirteen-year established grid computing paradigm, and other relevant technologies such as utility computing, cluster computing, and distributed systems in general. This paper strives to compare and contrast cloud computing with grid computing from various angles and give insights into the essential characteristics of both.

Basis set exchange: a community database for computational sciences.

Abstract: Basis sets are some of the most important input data for computational models in the chemistry, materials, biology, and other science domains that utilize computational quantum mechanics methods. Providing a shared, Web-accessible environment where researchers can not only download basis sets in their required format but browse the data, contribute new basis sets, and ultimately curate and manage the data as a community will facilitate growth of this resource and encourage sharing both data and knowledge. We describe the Basis Set Exchange (BSE), a Web portal that provides advanced browsing and download capabilities, facilities for contributing basis set data, and an environment that incorporates tools to foster development and interaction of communities. The BSE leverages and enables continued development of the basis set library originally assembled at the Environmental Molecular Sciences Laboratory.