Search NASA⌕ Search

SEARCH · Search NASA

Results for “supercomputing”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Performance Evaluation of an Intel Haswell- and Ivy Bridge-Based Supercomputer Using Scientific and Engineering Applications

We present a performance evaluation conducted on a production supercomputer of the Intel Xeon Processor E5- 2680v3, a twelve-core implementation of the fourth-generation Haswell architecture, and compare it with Intel Xeon Processor E5-2680v2, an Ivy Bridge implementation of the third-generation Sandy Bridge architecture. Several new architectural features have been incorporated in Haswell including improvements in all levels of the memory hierarchy as well as improvements to vector instructions and power management. We critically evaluate these new features of Haswell and compare with Ivy Bridge using several low-level benchmarks including subset of HPCC, HPCG and four full-scale scientific and engineering applications. We also present a model to predict the performance of HPCG and Cart3D within 5%, and Overflow within 10% accuracy.

Ivy Bridge↗
NASA NTRS2017

Performance of the Widely-Used CFD Code OVERFLOW on the Pleides Supercomputer

Computational performance studies were made for NASA's widely used Computational Fluid Dynamics code OVERFLOW on the Pleiades Supercomputer. Two test cases were considered: a full launch vehicle with a grid of 286 million points and a full rotorcraft model with a grid of 614 million points. Computations using up to 8000 cores were run on Sandy Bridge and Ivy Bridge nodes. Performance was monitored using times reported in the day files from the Portable Batch System utility. Results for two grid topologies are presented and compared in detail. Observations and suggestions for future work are made.

Widely Used↗
NASA NTRS2015

Advanced Computing Support at NASA Advanced Supercomputing (NAS) Division

NAS (NASA Advanced Supercomputing) Division: Advanced Computing: High-End Computing Capability (HECC) Project; Quantum Artificial Intelligence Lab (QuAIL); NASA Earth Exchange (NEX); Data Analytics Infrastructure for NASA; Cloud Services for Science & Engineering Projects.

Advanced Computing↗
DOE OSTI2012

PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers

PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors per realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 2{sup 17} processor cores with over 2 billion degrees of freedom. Accomplishments achieved to date include applications to the Hanford 300 Area and modeling CO{sub 2} sequestration in deep geologic formations.

58 GEOSCIENCES↗
DOE OSTI2013

Introducing Mira, Argonne's Next-Generation Supercomputer

Mira, the new petascale IBM Blue Gene/Q system installed at the ALCF, will usher in a new era of scientific supercomputing. An engineering marvel, the 10-petaflops machine is capable of carrying out 10 quadrillion calculations per second.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Supercomputing and the Search for Supernovae

Berkeley Lab's Peter Nugent discusses "Supercomputing and the search for supernovae" in this Oct. 28, 2013 talk, which is part of a Science at the Theater event entitled Eight Big Ideas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

#AskBerkeleyLab: What's a Supercomputer?

Berkeley Lab computational scientist and Head of NERSC's Services Department, Katie Antypas, answers a question from Alameda resident, Marina, on supercomputers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Energy Efficient Supercomputing

Katie Anypas, Head of NERSC's Services Department discusses the Lab's research into developing increasingly powerful and energy efficient supercomputers at our '8 Big Ideas' Science at the Theater event on October 8th, 2014, in Oakland, California.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Supercomputer Simulations Help Develop New Approach to Fight Antibiotic Resistance

ORNL leveraged powerful supercomputing to support research led by University of Oklahoma scientists to identify chemicals that seek out and disrupt bacterial proteins called efflux pumps, known to be a major cause of antibiotic resistance. By running simulations on Titan, the team selected molecules most likely to target and potentially disable the assembly of efflux pumps found in E. coli bacteria cells.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

A Layered Solution for Supercomputing Storage

To solve the supercomputing challenge of memory keeping up with processing speed, a team at Los Alamos National Laboratory developed two innovative memory management and storage technologies. Burst buffers peel off data onto flash memory to support the checkpoint/restart paradigm of large simulations. MarFS adds a thin software layer enabling a new tier for campaign storage—based on inexpensive, failure-prone disk drives—between disk drives and tape archives.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

A Long History of Supercomputing

As part of its national security science mission, Los Alamos National Laboratory and HPC have a long, entwined history dating back to the earliest days of computing. From bringing the first problem to the nation’s first computer to building the first machine to break the petaflop barrier, Los Alamos holds many “firsts” in HPC breakthroughs. Today, supercomputers are integral to stockpile stewardship and the Laboratory continues to work with vendors in developing the future of HPC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Introducing Argonne’s Theta Supercomputer

Theta, the Argonne Leadership Computing Facility’s (ALCF) new Intel-Cray supercomputer, is officially open to the research community. Theta’s massively parallel, many-core architecture puts the ALCF on the path to Aurora, the facility’s future Intel-Cray system. Capable of nearly 10 quadrillion calculations per second, Theta enables researchers to break new ground in scientific investigations that range from modeling the inner workings of the brain to developing new materials for renewable energy applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Accelerating virtual high-throughput ligand docking: current technology and case study on a petascale supercomputer

In this paper, we give the current state of high-throughput virtual screening. We describe a case study of using a task-parallel Message Passing Interface version of AutoDock4 to run a virtual high-throughput screen of one million compounds on the Jaguar Cray XK6 Supercomputer at Oak Ridge National Laboratory. We include a description of scripts developed to increase the efficiency of the predocking file preparation and postdocking analysis. A detailed tutorial, scripts, and source code for this Message Passing Interface version of AutoDock4 are available online at http://www.bio.utk.edu/baudrylab/autodockmpi.htm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Evaluating the networking characteristics of the Cray XC-40 Intel Knights Landing-based Cori supercomputer at NERSC

There are many potential issues associated with deploying the Intel Xeon Phi™ (code named Knights Landing [KNL]) manycore processor in a large-scale supercomputer. One in particular is the ability to fully utilize the high-speed communications network, given that the serial performance of a Xeon Phi TM core is a fraction of a Xeon®core. In this paper, we take a look at the trade-offs associated with allocating enough cores to fully utilize the Aries high-speed network versus cores dedicated to computation, e.g., the trade-off between MPI and OpenMP. In addition, we evaluate new features of Cray MPI in support of KNL, such as internode optimizations. We also evaluate one-sided programming models such as Unified Parallel C. We quantify the impact of the above trade-offs and features using a suite of National Energy Research Scientific Computing Center applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer

Molecular dynamics (MD) simulations must take very small (femtosecond) integration steps in simulation-time to avoid numerical errors. Efficient use of parallel programming models and accelerators in state-of-the art MD programs now is pushing Moore’s limit for time-per-MD step. As a result, directly simulating timescales beyond milliseconds will not be attainable directly, even at exascale. However, concepts from statistical physics can be used to combine many parallel simulations to provide information about longer timescales and to adequately sample the simulation space, while preserving details about the dynamics of the system. Implementing such an approach requires a workflow program that allows adaptable steering of task assignments based on extensive statistical analysis of intermediate results. Here we report the implementation of such an adaptable workflow program to drive simulations on the Summit IBM Power System AC922, a pre-exascale supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). We compare to experiences on Titan, Summit’s predecessor, report the performance of the workflow and its components, and describe the porting process. We find that using a workflow program managed by a Mongo database can provide the fault tolerance, scalable performance, task dispatch rate, and reconfigurability required for robust and portable implementation of ensemble simulations such as are used in enhanced-sampling molecular dynamics. This type of workflow generator can also be used to provide adaptive steering of ensemble simulations for other applications in addition to MD.

Ossyra, John R.↗