Community Science Exemplars in SEAGrid Science Gateway: Apache Airavata Based Implementation of Advanced Infrastructure

Pamidighantam, Sudhakar; Nakandala, Supun; Abeysinghe, Eroma; Wimalasena, Chathuri; Yodage, Shameera Rathnayaka; Marru, Suresh; Pierce, Marlon

doi:10.1016/j.procs.2016.05.535

Cited by 75 publications

(45 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…All computations were performed using Gaussian 16 24 available on SEAGrid. [25][26][27][28][29] The stationary points were located by means of Berny algorithm 30 using redundant internal coordinates. Analytical Hessians were computed to determine the nature of stationary points (one and zero imaginary frequencies for transition states (TSs) and minima, respectively) 31 as well as the unscaled zeropoint energies (ZPEs), thermal corrections and entropy effects using the standard statistical-mechanics relationships for an ideal gas.…”

Section: Computational Detailsmentioning

confidence: 99%

A theoretical study of the hydrolysis mechanism of A-234; the suspected novichok agent in the Skripal attack

et al. 2020

View full text Add to dashboard Cite

show abstract

Section: Computational Detailsmentioning

confidence: 99%

A theoretical study of the hydrolysis mechanism of A-234; the suspected novichok agent in the Skripal attack

et al. 2020

View full text Add to dashboard Cite

show abstract

“…SEAGRID ARCHITECTURE SEAGRID [10] is a science gateway for chemistry and molecular dynamics research, which provides a single point of access to resources via a desktop client, which communicates with a middleware system. The middleware system, Apache Airavata [17], manages job submissions on batch scheduled HPC resources.…”

Section: Uptake Of Jetstream As a Science Gateway Hosting Environmentmentioning

confidence: 99%

“…Initial scientific work has begun and 13 scientific projects were allocated in the most recent allocation period for the system, with both elastic and cluster-based activities approved for use of the system. In this paper we review the Jetstream architecture and software environment and detail the implementation of a persistent cluster in Jetstream in support of the SEAGrid science gateway [10]. We also discuss the general uptake of Jetstream as both gateway provider and as computational backend for gateway environments.…”

Section: Introductionmentioning

confidence: 99%

Using the Jetstream Research Cloud to Provide Science Gateway Resources

Knepper

Coulter

Pierce

et al. 2017

2017 17th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGRID)

Self Cite

View full text Add to dashboard Cite

Abstract-We describe the use of the Jetstream research-cloud, a purpose-built system with the goal of supporting "long-tail" research by providing a flexible, on-demand research infrastructure, to provide scalable back-end resources for science gateways. In addition to providing cloud-like resources for on-demand science, Jetstream offers the capability to instantiate long-running clusters which support science gateways. Science gateways are web-based systems built on computational infrastructure which provide commonly-used tools to a community of users. We created a persistent cluster on the Jetstream system which is connected to the SEAGrid science gateway and provides additional compute resources for a variety of quantum chemistry calculations. We discuss the further application of toolkits provided by the Extreme Science and Engineering Discovery Environment (XSEDE) to build general-purpose clusters on the research cloud.

show abstract

“…The SEAGrid science gateway [13] is an example of a Scenario 1 tenant. SEAGrid uses a MySQL database as the user store in WSO2 IS and provides a web based gateway and a desktop client.…”

Section: Implementation and Evaluationmentioning

confidence: 99%

Apache Airavata security manager: Authentication and authorization implementations for a multi-tenant escience framework

Nakandala

Gunasinghe

Marru

et al. 2016

2016 IEEE 12th International Conference on E-Science (E-Science)

Self Cite

View full text Add to dashboard Cite

Abstract-eScience middleware frameworks integrating multiple virtual organizations must incorporate comprehensive user identity and access management solutions. In this paper we examine usage patterns for these systems and map the patterns to widely used security standards and approaches. We focus on science gateways, a class of distributed system cyberinfrastructure. Science gateways are end user environments that provide access to a wide range of academic and commercial computing and storage resources for virtual organizations. Successful gateways focus on specific scientific communities and domains, but they build on many reusable features that can be provided by general purpose hosted platform services that can support multiple tenants. Providing a security framework for identity and access management for such hosted service removes the burden for each gateway to handle its user identity management and control access to its critical resources. From the resource provider's point of view, it provides a basis for more uniform accounting and auditing. Challenges arise from the range of gateways (both legacy and newly created), the range of technologies used to build them, and the range of end user environments (Web, mobile, desktop, and programmatic API clients) that gateways provide. Using Apache Airavata as an implementation, we examine three common gateway types based on where the user identity information is held and how these can be treated in a unified manner using OAuth2 and OpenID-Connect. Our solutions for identity and access management are not specific to Apache Airavata but can be generally applied to any e-Science platform.

show abstract

Community Science Exemplars in SEAGrid Science Gateway: Apache Airavata Based Implementation of Advanced Infrastructure

Cited by 75 publications

References 28 publications

A theoretical study of the hydrolysis mechanism of A-234; the suspected novichok agent in the Skripal attack

A theoretical study of the hydrolysis mechanism of A-234; the suspected novichok agent in the Skripal attack

Using the Jetstream Research Cloud to Provide Science Gateway Resources

Apache Airavata security manager: Authentication and authorization implementations for a multi-tenant escience framework

Contact Info

Product

Resources

About