Open-source development experiences in scientific software: the HANDE quantum Monte Carlo project

The HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed team with a variety of backgrounds in computational science. In the course of preparing a public, open-source release, we have taken this opportunity to step back and look at what we have done and what we hope to do in the future. We pay particular attention to development processes, the approach taken to train students joining the project, and how a flat hierarchical structure aids communicationComment: 6 pages. Submission to WSSSPE

Program automated documentation methods

The mission analysis and trajectory simulation program is summarized; it provides an understanding of the size and complexity of one simulation for which documentation is mandatory. Programs for automating documentation of subroutines, flow charts, and internal cross reference information are also included

A compiler approach to scalable concurrent program design

The programmer's most powerful tool for controlling complexity in program design is abstraction. We seek to use abstraction in the design of concurrent programs, so as to separate design decisions concerned with decomposition, communication, synchronization, mapping, granularity, and load balancing. This paper describes programming and compiler techniques intended to facilitate this design strategy. The programming techniques are based on a core programming notation with two important properties: the ability to separate concurrent programming concerns, and extensibility with reusable programmer-defined abstractions. The compiler techniques are based on a simple transformation system together with a set of compilation transformations and portable run-time support. The transformation system allows programmer-defined abstractions to be defined as source-to-source transformations that convert abstractions into the core notation. The same transformation system is used to apply compilation transformations that incrementally transform the core notation toward an abstract concurrent machine. This machine can be implemented on a variety of concurrent architectures using simple run-time support. The transformation, compilation, and run-time system techniques have been implemented and are incorporated in a public-domain program development toolkit. This toolkit operates on a wide variety of networked workstations, multicomputers, and shared-memory multiprocessors. It includes a program transformer, concurrent compiler, syntax checker, debugger, performance analyzer, and execution animator. A variety of substantial applications have been developed using the toolkit, in areas such as climate modeling and fluid dynamics

A comparison using APPL and PVM for a parallel implementation of an unstructured grid generation program

Efforts to parallelize the VGRIDSG unstructured surface grid generation program are described. The inherent parallel nature of the grid generation algorithm used in VGRIDSG was exploited on a cluster of Silicon Graphics IRIS 4D workstations using the message passing libraries Application Portable Parallel Library (APPL) and Parallel Virtual Machine (PVM). Comparisons of speed up are presented for generating the surface grid of a unit cube and a Mach 3.0 High Speed Civil Transport. It was concluded that for this application, both APPL and PVM give approximately the same performance, however, APPL is easier to use

Survey of Federal, National, and International standards applicable to the NASA applications data services

An applications data service (ADS) was developed to meet the challenges in the data access and integration. The ADS provides a common service to locate and access applications data electronically and integrate the cross correlative data sets required by multiple users. Its catalog and network services increase data visibility as well as provide the data in a more rapid manner and a usable form

Feasibility study of an Integrated Program for Aerospace-vehicle Design (IPAD) system. Volume 6: Implementation schedule, development costs, operational costs, benefit assessment, impact on company organization, spin-off assessment, phase 1, tasks 3 to 8

A baseline implementation plan, including alternative implementation approaches for critical software elements and variants to the plan, was developed. The basic philosophy was aimed at: (1) a progressive release of capability for three major computing systems, (2) an end product that was a working tool, (3) giving participation to industry, government agencies, and universities, and (4) emphasizing the development of critical elements of the IPAD framework software. The results of these tasks indicate an IPAD first release capability 45 months after go-ahead, a five year total implementation schedule, and a total developmental cost of 2027 man-months and 1074 computer hours. Several areas of operational cost increases were identified mainly due to the impact of additional equipment needed and additional computer overhead. The benefits of an IPAD system were related mainly to potential savings in engineering man-hours, reduction of design-cycle calendar time, and indirect upgrading of product quality and performance

Geobase Information System Impacts on Space Image Formats

As Geobase Information Systems increase in number, size and complexity, the format compatability of satellite remote sensing data becomes increasingly more important. Because of the vast and continually increasing quantity of data available from remote sensing systems the utility of these data is increasingly dependent on the degree to which their formats facilitate, or hinder, their incorporation into Geobase Information Systems. To merge satellite data into a geobase system requires that they both have a compatible geographic referencing system. Greater acceptance of satellite data by the user community will be facilitated if the data are in a form which most readily corresponds to existing geobase data structures. The conference addressed a number of specific topics and made recommendations

Java at Middle Age: Enabling Java for Computational Science

Not long after the Mosaic Web browser appeared and Netscape communications formed, Sun Microsystems launched Java in a way that will be forever known as a marketing success story. All across the US, there were many Java Day events. I still have my t-shirts as proof of having been there

Java Grande Forum Report: Making Java Work for High-End Computing

This document describes the Java Grande Forum and includes its initial deliverables.Theseare reports that convey a succinct set of recommendations from this forum to SunMicrosystems and other purveyors of Java™ technology that will enable GrandeApplications to be developed with the Java programming language