A Science Gateway for Atomic and Molecular Physics
TimeTuesday, July 303:30pm - 4pm
DescriptionThis paper describes the creation of a new Atomic and Molecular Physics science gateway (AMPGateway). The gateway is designed to bring together a subset of the AMP community to work collectively to make their codes available and easier to use by the partners as well as others. By necessity, a project such as this requires the developers to work on issues of portability, documentation, ease of input, as well as making sure the codes can run on a variety of architectures. Here we describe our efforts to build this AMP gateway and future directions. The paper is divided into four major sections. In the introduction we provide a history of how and why the project got started and our decision to go to XSEDE for support for the gateway. In the second section, we present some information on the AMP codes. Section three is devoted to the details of the deployment. In section four we discuss general community building.
A brief description of the theoretical and computational tools embodied in the codes is given. In the first stage of our efforts the software suites are deployed as independent applications with application specific input interfaces. The community building has started and a few other community software suites identified to be included in a second phase. The interoperability among the software suites will be addressed as a follow-on. The AMPGateway uses multi tenanted Apache Airavata middleware framework served by the SciGaP hosting services for sustained operation.