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Evaluation of Best Practices in Mitigating Startup Costs on Leadership-Class Supercomputers

Supercomputers at Department of Energy (DOE) National Laboratories face a widening range of workloads, from traditional modeling and simulation to Artificial Intelligence model training or complex multi-stage workflows, and beyond. At DOE Leadership Computing Facilities like the Oak Ridge Leadership Computing Facility (OLCF), these workloads demand concurrent access to large portions of the supercomputer’s resources. Launching a job across massive supercomputers is challenging from the start; the file system struggles with a large backlog of metadata requests as tens of thousands of processes read thousands of the same files, and the compute job cannot start until this is completed. There are multiple existing approaches to calm this metadata storm, ranging from vendor-developed tools like sbcast to National Laboratory-developed tools like Spindle and Copper. In this paper, we benchmark and discuss three common approaches to improving compute job launch latencies on Frontier: Slurm’s sbcast tool, Spindle, and Copper. We evaluate these tools by measuring the launch latencies of four workloads: OSU Microbenchmark’s osu_init, Pynamic, Python import mpi4py, and Python import torch. We provide discussion of the results, highlighting data that meet expectations and that do not meet expectations.

Hagerty, Nick [ORNL] (ORCID:0000000330014414)

Predicting the Future of Supercomputing

The need to solve high-complexity problems using large-scale tightly coupled computing (that is, supercomputing) continues to grow. Here, in this article, we address the needs, challenges, and opportunities for supercomputing over the next decade.

97 MATHEMATICS AND COMPUTING

NASA Advanced Supercomputing Facility Expansion

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.

NASA

Expanding a Supercomputer Facility Using Modular Data Center Technology

With the expansion of high-end computing resources needed to support NASA's increasing demands for physics-based simulations, the facility housing Pleiades-the agency's largest supercomputer-recently reached its power and cooling capacity. In response, the NASA Advanced Supercomputing Division at Ames Research Center undertook a prototype project that resulted in a new facility based on modular data center technology. The facility, a ~1000 square-foot module on a concrete pad with room for 16-18 compute racks, was completed in fall 2016 and an SGI 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) of ~1.03. Electra achieved over a petaflop on the LINPACK benchmark, sufficient to rank number 96 on the November 2016 TOP500 list. 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 compute assets via Mellanox MetroX InfiniBand extenders, which connect the Electra fabric to Lustre routers InfiniBand fabric over fiber-optic links about 300 meters long. The prototype has exceeded expectations and is serving as a blueprint for future expansions.*†

Facility

Scaling Ultrahigh-Resolution E3SM Land Model for Leadership-Class Supercomputers

This paper presents advancements in scaling the ultrahigh-resolution E3SM Land Model (uELM) for deployment on leadership-class supercomputers, addressing the increased demand for km-scale Earth system modeling. By focusing on km-scale ELM simulations, we enhance predictive capabilities for climate interactions, facilitating improved responses to climate change impacts on energy systems, agriculture, and water resources. Our approach leverages innovative software architecture optimizations, sophisticated data handling techniques, and advanced parallel processing, achieving strong scalability on two leadership supercomputers (2400 nodes (105,600 cores) on Summit, and 1200 nodes (76,800 cores) on Frontier). Results from extensive scalability assessments on the Summit and Frontier also demonstrate outstanding I/O performance (close to 400 GB/s write throughput) and the model's ability to efficiently handle increasing computational demands. This study not only establishes uELM's capability for high-resolution simulations over vast geographical domains, but also sets a foundation for future Earth system modeling breakthroughs.

Wang, Dali [ORNL] (ORCID:0000000168065108)

NAS - Supercomputing master tool for aeronautics

Features, performance objectives and applications planned for the NASA National Aerodynamics Simulator (NAS) are outlined. NAS was conceived in the 1970s as a means to performing numerical aerodynamic simulations beyond the scope of wind tunnel testing for high-speed flight. Present supercomputers cannot deal with problems exhibiting strongly coupled viscous effects, which are being increasingly more accurately represented by approximations to the full Navier-Stokes equations. Located at the NASA-Ames Center, the NAS will by 1990 comprise a distributed computer network capable of a 4 Gflop computing rate and have a memory capacity of 1 billion 64-bit words. Remote access to the system through UNIX-based microcomputers will be available through land lines and satellite links. New supercomputers will be tested on the system without disturbing ongoing work. The core machine will be a Cray-2 with a 2 Gflop rate.

Bailey, F. R.

Putting the 'super' in supercomputers

Computers used for numerical simulations of physical phenomena, e.g., flowfields, meteorology, structural analysis, etc., replace physical experiments that are too expensive or impossible to perform. The problems considered continually become increasingly more complex and thus demand faster processing times to do all necessary computations. The effects components technologies have on computer speed are leveling off, leaving new architectures and programming as the only currently viable means to upgrade speed. Parallel computations, either in the form of array processors, assembly line processing or multiprocessors are being explored using existing microprocessor technologies. Slower hardware configurations can also be made equivalent to faster supercomputers by economic programming. The availability of rudimentary parallel architecture supercomputers for general industrial use is increasing. Scientific applications continue to drive the development of more sophisticated parallel machines.

Schulbach, C.

Finite element methods on supercomputers - The scatter-problem

Certain problems arise in connection with the use of supercomputers for the implementation of finite-element methods. These problems are related to the desirability of utilizing the power of the supercomputer as fully as possible for the rapid execution of the required computations, taking into account the gain in speed possible with the aid of pipelining operations. For the finite-element method, the time-consuming operations may be divided into three categories. The first two present no problems, while the third type of operation can be a reason for the inefficient performance of finite-element programs. Two possibilities for overcoming certain difficulties are proposed, giving attention to a scatter-process.

Loehner, R.

Progress and supercomputing in computational fluid dynamics; Proceedings of U.S.-Israel Workshop, Jerusalem, Israel, December 1984

Current developments and future trends in the application of supercomputers to computational fluid dynamics are discussed in reviews and reports. Topics examined include algorithm development for personal-size supercomputers, a multiblock three-dimensional Euler code for out-of-core and multiprocessor calculations, simulation of compressible inviscid and viscous flow, high-resolution solutions of the Euler equations for vortex flows, algorithms for the Navier-Stokes equations, and viscous-flow simulation by FEM and related techniques. Consideration is given to marching iterative methods for the parabolized and thin-layer Navier-Stokes equations, multigrid solutions to quasi-elliptic schemes, secondary instability of free shear flows, simulation of turbulent flow, and problems connected with weather prediction.

Murman, E. M.

Computational fluid dynamics research at the United Technologies Research Center requiring supercomputers

An overview of research activities at the United Technologies Research Center (UTRC) in the area of Computational Fluid Dynamics (CFD) is presented. The requirement and use of various levels of computers, including supercomputers, for the CFD activities is described. Examples of CFD directed toward applications to helicopters, turbomachinery, heat exchangers, and the National Aerospace Plane are included. Helicopter rotor codes for the prediction of rotor and fuselage flow fields and airloads were developed with emphasis on rotor wake modeling. Airflow and airload predictions and comparisons with experimental data are presented. Examples are presented of recent parabolized Navier-Stokes and full Navier-Stokes solutions for hypersonic shock-wave/boundary layer interaction, and hydrogen/air supersonic combustion. In addition, other examples of CFD efforts in turbomachinery Navier-Stokes methodology and separated flow modeling are presented. A brief discussion of the 3-tier scientific computing environment is also presented, in which the researcher has access to workstations, mid-size computers, and supercomputers.

Landgrebe, Anton J.

Scaling of data communications for an advanced supercomputer network

The goal of NASA's Numerical Aerodynamic Simulation (NAS) Program is to provide a powerful computational environment for advanced research and development in aeronautics and related disciplines. The present NAS system consists of a Cray 2 supercomputer connected by a data network to a large mass storage system, to sophisticated local graphics workstations and by remote communication to researchers throughout the United States. The program plan is to continue acquiring the most powerful supercomputers as they become available. The implications of a projected 20-fold increase in processing power on the data communications requirements are described.

Levin, E.

Color graphics, interactive processing, and the supercomputer

The development of a common graphics environment for the NASA Langley Research Center user community and the integration of a supercomputer into this environment is examined. The initial computer hardware, the software graphics packages, and their configurations are described. The addition of improved computer graphics capability to the supercomputer, and the utilization of the graphic software and hardware are discussed. Consideration is given to the interactive processing system which supports the computer in an interactive debugging, processing, and graphics environment.

Smith-Taylor, Rudeen

Optimization of large matrix calculations for execution on the Cray X-MP vector supercomputer

A considerable volume of large computational computer codes were developed for NASA over the past twenty-five years. This code represents algorithms developed for machines of earlier generation. With the emergence of the vector supercomputer as a viable, commercially available machine, an opportunity exists to evaluate optimization strategies to improve the efficiency of existing software. This result is primarily due to architectural differences in the latest generation of large-scale machines and the earlier, mostly uniprocessor, machines. A sofware package being used by NASA to perform computations on large matrices is described, and a strategy for conversion to the Cray X-MP vector supercomputer is also described.

Hornfeck, William A.

Distributed user services for supercomputers

User-service operations at supercomputer facilities are examined. The question is whether a single, possibly distributed, user-services organization could be shared by NASA's supercomputer sites in support of a diverse, geographically dispersed, user community. A possible structure for such an organization is identified as well as some of the technologies needed in operating such an organization.

Sowizral, Henry A.

Floating point arithmetic in future supercomputers

Considerations in the floating-point design of a supercomputer are discussed. Particular attention is given to word size, hardware support for extended precision, format, and accuracy characteristics. These issues are discussed from the perspective of the Numerical Aerodynamic Simulation Systems Division at NASA Ames. The features believed to be most important for a future supercomputer floating-point design include: (1) a 64-bit IEEE floating-point format with 11 exponent bits, 52 mantissa bits, and one sign bit and (2) hardware support for reasonably fast double-precision arithmetic.

Bailey, David H.

A mass storage system for supercomputers based on Unix

The authors present the design, implementation, and utilization of a large mass storage subsystem (MSS) for the numerical aerodynamics simulation. The MSS supports a large networked, multivendor Unix-based supercomputing facility. The MSS at Ames Research Center provides all processors on the numerical aerodynamics system processing network, from workstations to supercomputers, the ability to store large amounts of data in a highly accessible, long-term repository. The MSS uses Unix System V and is capable of storing hundreds of thousands of files ranging from a few bytes to 2 Gb in size.

Richards, J.

Visualization of supercomputer simulations in physics

A description is given of the hardware and software tools and techniques in use at NASA's Numerical Aerodynamic Simulation Facility for visualization of computational fluid dynamics. The hardware consists of high-performance graphics workstations connected to the supercomputer with high-bandwidth lines, a frame buffer connected to the supercomputer with UltraNet, a digital video recording system, and film recorders. The software permits the scientist to view the three-dimensional scenes dynamically, to zoom into a region of interest, and to rotate his viewing position to study any region of interest in more detail. The software also provides automated animation and video recording of the scenes. The digital effects unit on the video system facilitates comparison of computer simulations with flight or wind tunnel experiments.

Watson, Val