For over 35 years, the NASA Advanced Supercomputing (NAS) Division at Ames Research Center has housed and managed the U.S. space agency’s largest supercomputing assets. Focused on high-end computing technologies, efficient operations, and user success, the NAS Division has worked with industry to deploy a series of highly successful systems that enable scientific and engineering achievements across NASA. The complementary role of the High-End Computing Capability (HECC) project is evolving to meet NASA’s future challenges in returning to the Moon as a pathway to Mars, while continuing exciting research in aeronautics, space exploration, and Earth science.

NASA has increasingly relied on high-performance computing (HPC) re- sources for computational modeling, simulation, and data analysis to meet the science and engineering goals of its missions in space exploration, aeronautics, and Earth and space science. The NASA Advanced Supercomputing (NAS) Division at Ames Research Center in Silicon Valley, Calif., hosts NASA’s premier supercomputing resources, integral to achieving and enhancing the success of the agency’s missions. NAS provides a balanced environment, funded under the High-End Computing Capability (HECC) project, comprised of world-class supercomputers, including its flagship distributed-memory cluster, Pleiades; high-speed networking; and massive data storage facilities, along with multi-disciplinary support teams for user support, code porting and optimization, and large-scale data analysis and scientific visualization. However, as scientists have increased the fidelity of their simulations and engineers are conducting larger parameter-space studies, the requirements for supercomputing resources have been growing by leaps and bounds. With the facility housing the HECC systems reaching its power and cooling capacity, NAS undertook a prototype project to investigate an alternative approach for housing supercomputers. Modular supercomputing, or container-based computing, is an innovative concept for expanding NASA’s HPC capabilities. With modular supercomputing, additional containers—similar to portable storage pods—can be connected together as needed to accommodate the agency’s ever-increasing demand for computing resources. In addition, taking advantage of the local weather permits the use of cooling technologies that would additionally save energy and reduce annual water usage. The first stage of NASA’s Modular Supercomputing Facility (MSF) prototype, which resulted in a 1,000 square-foot module on a concrete pad with room for 16 compute racks, was completed in Fall 2016 and an SGI (now HPE) computer system, named Electra, was deployed there in early 2017. Cooling is performed via an evaporative system built into the module, and preliminary experience shows a Power Usage Effectiveness (PUE) measurement of 1.03. Electra achieved over a petaflop on the LINPACK benchmark, sufficient to rank number 96 on the November 2016 TOP500 list [14]. The system consists of 1,152 InfiniBand-connected Intel Xeon Broadwell-based nodes. Its users access their files on a facility-wide file system shared by all HECC compute assets via Mellanox MetroX InfiniBand extenders, which connect the Electra fabric to Lustre routers in the primary facility over fiber-optic links about 900 feet long. The MSF prototype has exceeded expectations and is serving as a blueprint for future expansions. In the remainder of this chapter, we detail how modular data center technology can be used to expand an existing compute resource. We begin by describing NASA’s requirements for supercomputing and how resources were provided prior to the integration of the Electra module-based system.

For years, NASA had a very straightforward process for replacing high-performance computing hardware: over a three-year period, when it became more expensive to operate an older suite of hardware than it did to replace it with new products that could accomplish the same work, we simply replaced the old hardware. For NASA’s High-End Computing Capability (HECC) Project, that process changed when we reached the limits of our facility’s power, cooling, and floor-loading capacity, becoming a strategy of decommissioning the least productive hardware and replacing it with more capable counterparts. The impact was that we provided our users with less supercomputing capability than we would have without the limitations. Additionally, with 25% of our total power consumption going to cool our systems and 50,000 gallons of water per day being evaporated, we wanted a solution that would expand our compute facility while being sensitive to the impact on our environment.

The NASA Advanced Supercomputing (NAS) Division enables advances in high-end computing technologies and in modeling and simulation methods to tackle some of the toughest science and engineering challenges facing NASA today. The name NAS has long been associated with leadership and innovation throughout the high-end computing (HEC) community. We play a significant role in shaping HEC standards and paradigms, and provide leadership in the areas of large-scale InfiniBand fabrics, Lustre open-source filesystems, and hyperwall technologies. We provide an integrated high-end computing environment to accelerate NASA missions and make revolutionary advances in science. Pleiades, a petaflop-scale supercomputer, is used by scientists throughout the U.S. to support NASA missions, and is ranked among the most powerful systems in the world. One of our key focus areas is in modeling and simulation to support NASA's real-world engineering applications and make fundamental advances in modeling and simulation methods.

This viewgraph presentation transfers the concept of the power grid to information sharing in the NASA community. An information grid of this sort would be characterized as comprising tools, middleware, and services for the facilitation of interoperability, distribution of new technologies, human collaboration, and data management. While a grid would increase the ability of information sharing, it would not necessitate it. The onus of utilizing the grid would rest with the users.

This special issue contains a selection of papers that had been presented at the International Supercomputing Conference in Mexico (ISUM). The papers cover several important topics and present some of the directions in rapidly expanding area of research and development related with applications and technologies of supercomputing. Authors show the use of supercomputers to solve complex modeling and simulation problems in a spectrum of disciplines such as: Climate modeling, Cloud computing, Dynamic analysis, Finite element method, Gaussian transformation, GPU, Image security, Load balancing, LU decomposition, Molecular biology, Numerical optimization, Parallel numerical computing, Performance analysis, Rendering and animation, Stochastic optimization, Thermal and stress analysis. The objective of this special issue is to publish and overview recent trends in the interdisciplinary area of parallel and distributed computing, applications and technologies. We hope that the set of selected papers provides the community with a better understanding of the current research areas, introducing new research, development, and deployment efforts in running applications on high performance computing infrastructures. The ISUM succeeded in highlighting many of the significant topics and trends within the area of concern. Some of them are reflected in the articles selected for this issue. 12 papers from Argentina, Germany, Mexico, and Spain were selected from 78 papers presented at the conference, which had an overall acceptance rate of 16%..

A new approach to running complex, distributed MPI jobs using the MPICH-G2 library is described. This approach allows the user to switch between different versions of compilers, system libraries, MPI libraries, etc. via the "module" command. The key idea is a departure from the prescribed "(jobtype=mpi)" approach to running distributed MPI jobs. The new method requires the user to provide a script that will be run as the "executable" with the "(jobtype=single)" RSL attribute. The major advantage of the proposed method is to enable users to decide in their own script what modules, environment, etc. they would like to have in running their job.

Columbia is a 10,240-processor supercomputer consisting of 20 Altix nodes with 512 processors each, and currently ranked as one of the fastest in the world. In this paper, we briefly describe the Columbia system and its supporting infrastructure, the underlying Altix architecture, and benchmark performance on up to four nodes interconnected via the Infini Band and NUMAlink4 communication fabrics. Additionally, three science and engineering applications from different disciplines running on multiple Columbia nodes are described and their performance results are presented. Overall, our results show promise for multi-node application scaling, allowing the ability to tackle compute-intensive scientific problems not previously solvable on available supercomputers.

Science Operations Services Grid is focusing on building a prototype grid-based environment that incorporates existing and new spaceflight services to enable current and future NASA programs with cost savings and new and evolvable methods to conduct science in a distributed environment. The Science Operations Services Grid (SOSG) will provide a distributed environment for widely disparate organizations to conduct their systems and processes in a more efficient and cost effective manner. These organizations include those that: 1) engage in space-based science and operations, 2) develop space-based systems and processes, and 3) conduct scientific research, bringing together disparate scientific disciplines like geology and oceanography to create new information. In addition educational outreach will be significantly enhanced by providing to schools the same tools used by NASA with the ability of the schools to actively participate on many levels in the science generated by NASA from space and on the ground. The services range from voice, video and telemetry processing and display to data mining, high level processing and visualization tools all accessible from a single portal. In this environment, users would not require high end systems or processes at their home locations to use these services. Also, the user would need to know minimal details about the applications in order to utilize the services. In addition, security at all levels is an underlying goal of the project. The Science Operations Services Grid will focus on four tools that are currently used by the ISS Payload community along with nine more that are new to the community. Under the prototype four Grid virtual organizations PO) will be developed to represent four types of users. They are a Payload (experimenters) VO, a Flight Controllers VO, an Engineering and Science Collaborators VO and an Education and Public Outreach VO. The User-based services will be implemented to replicate the operational voice, video, telemetry and commanding systems. Once the User-based services are in place, they will be analyzed to establish feasibility for Grid enabling. If feasible then each User-based service will be Grid enabled. The remaining non-Grid services if not already Web enabled will be so enabled. In the end, four portals will be developed one for each VO. Each portal will contain the appropriate User-based services required for that VO to operate.

In an effort to adapt existing space flight operations services to new emerging Grid technologies we are developing a Grid-based prototype space flight operations Grid. This prototype is based on the operational services being provided to the International Space Station's Payload operations located at the Marshall Space Flight Center, Alabama. The prototype services will be Grid or Web enabled and provided to four user communities through portal technology. Users will have the opportunity to assess the value and feasibility of Grid technologies to their specific areas or disciplines. In this presentation descriptions of the prototype development, User-based services, Grid-based services and status of the project will be presented. Expected benefits, findings and observations (if any) to date will also be discussed. The focus of the presentation will be on the project in general, status to date and future plans. The End-use services to be included in the prototype are voice, video, telemetry, commanding, collaboration tools and visualization among others. Security is addressed throughout the project and is being designed into the Grid technologies and standards development. The project is divided into three phases. Phase One establishes the baseline User-based services required for space flight operations listed above. Phase Two involves applying Gridlweb technologies to the User-based services and development of portals for access by users. Phase Three will allow NASA and end users to evaluate the services and determine the future of the technology as applied to space flight operational services. Although, Phase One, which includes the development of the quasi-operational User-based services of the prototype, development will be completed by March 2004, the application of Grid technologies to these services will have just begun. We will provide status of the Grid technologies to the individual User-based services. This effort will result in an extensible environment that incorporates existing and new spaceflight services into a standards-based framework providing current and future NASA programs with cost savings and new and evolvable methods to conduct science. This project will demonstrate how the use of new programming paradigms such as web and grid services can provide three significant benefits to the cost-effective delivery of spaceflight services. They will enable applications to operate more efficiently by being able to utilize pooled resources. They will also permit the reuse of common services to rapidly construct new and more powerful applications. Finally they will permit easy and secure access to services via a combination of grid and portal technology by a distributed user community consisting of NASA operations centers, scientists, the educational community and even the general population as outreach. The approach will be to deploy existing mission support applications such as the Telescience Resource Kit (TReK) and new applications under development, such as the Grid Video Distribution System (GViDS), together with existing grid applications and services such as high-performance computing and visualization services provided by NASA s Information Power Grid (IPG) in the MSFC s Payload Operations Integration Center (POIC) HOSC Annex. Once the initial applications have been moved to the grid, a process will begin to apply the new programming paradigms to integrate them where possible. For example, with GViDS, instead of viewing the Distribution service as an application that must run on a single node, the new approach is to build it such that it can be dispatched across a pool of resources in response to dynamic loads. To make this a reality, reusable services will be critical, such as a brokering service to locate appropriate resource within the pool. This brokering service can then be used by other applications such as the TReK. To expand further, if the GViDS application is constructed using a services-based mel, then other applications such as the Video Auditorium can then use GViDS as a service to easily incorporate these video streams into a collaborative conference. Finally, as these applications are re-factored into this new services-based paradigm, the construction of portals to integrate them will be a simple process. As a result, portals can be tailored to meet the requirements of specific user communities.

By the late 1990s, the Internet was adequately equipped to move vast amounts of data between HPC (High Performance Computing) systems, and efforts were initiated to link together the national infrastructure of high performance computational and data storage resources together into a general computational utility 'grid', analogous to the national electrical power grid infrastructure. The purpose of the Computational grid is to provide dependable, consistent, pervasive, and inexpensive access to computational resources for the computing community in the form of a computing utility. This paper presents a fully distributed view of Grid usage accounting and a methodology for allocating Grid computational resources for use on a Grid computing system.

While the advent of distributed and grid computing systems will open new opportunities for scientific exploration, the reality of such implementations could prove to be a system administrator’s nightmare. A lot of effort is being spent on identifying and resolving the obvious problems of security, scheduling, authentication and authorization. Lurking in the background, though, are the largely unaddressed issues of accountability and usage accounting: