This report provides in-depth information and analysis to help create a technical road map for developing next-generation programming models and runtime systems that support Advanced Simulation and Computing (ASC) work- load requirements. The focus herein is on asynchronous many-task (AMT) model and runtime systems, which are of great interest in the context of "Oriascale7 computing, as they hold the promise to address key issues associated with future extreme-scale computer architectures. This report includes a thorough qualitative and quantitative examination of three best-of-class AIM] runtime systems – Charm-++, Legion, and Uintah, all of which are in use as part of the Centers. The studies focus on each of the runtimes' programmability, performance, and mutability. Through the experiments and analysis presented, several overarching Predictive Science Academic Alliance Program II (PSAAP-II) Asc findings emerge. From a performance perspective, AIV runtimes show tremendous potential for addressing extreme- scale challenges. Empirical studies show an AM runtime can mitigate performance heterogeneity inherent to the machine itself and that Message Passing Interface (MP1) and AM11runtimes perform comparably under balanced conditions. From a programmability and mutability perspective however, none of the runtimes in this study are currently ready for use in developing production-ready Sandia ASC applications. The report concludes by recommending a co- design path forward, wherein application, programming model, and runtime system developers work together to define requirements and solutions. Such a requirements-driven co-design approach benefits the community as a whole, with widespread community engagement mitigating risk for both application developers developers. and high-performance computing runtime systein
The purpose of this report is to investigate a partial differential equation (PDE) constrained optimization approach for estimating the velocity field given image data for use within digital image correlation (DIC). We first introduce the problem and the standard DIC approach and then demonstrate why the DIC problem is ill-posed and introduce a standard regularization of the problem. We also demonstrate that the functional used is sensitive and robust via a sequence of experiments given by a stochastic model inducing the PDE constraint.
This report summarizes a NEAMS (Nuclear Energy Advanced Modeling and Simulation) project focused on sensitivity analysis of a fuels performance benchmark problem. The benchmark problem was defined by the Uncertainty Analysis in Modeling working group of the Nuclear Science Committee, part of the Nuclear Energy Agency of the Organization for Economic Cooperation and Development (OECD ). The benchmark problem involv ed steady - state behavior of a fuel pin in a Pressurized Water Reactor (PWR). The problem was created in the BISON Fuels Performance code. Dakota was used to generate and analyze 300 samples of 17 input parameters defining core boundary conditions, manuf acturing tolerances , and fuel properties. There were 24 responses of interest, including fuel centerline temperatures at a variety of locations and burnup levels, fission gas released, axial elongation of the fuel pin, etc. Pearson and Spearman correlatio n coefficients and Sobol' variance - based indices were used to perform the sensitivity analysis. This report summarizes the process and presents results from this study.
Achieving practical exascale supercomputing will require massive increases in energy efficiency. The bulk of this improvement will likely be derived from hardware advances such as improved semiconductor device technologies and tighter integration, hopefully resulting in more energy efficient computer architectures. Still, software will have an important role to play. With every generation of new hardware, more power measurement and control capabilities are exposed. Many of these features require software involvement to maximize feature benefits. This trend will allow algorithm designers to add power and energy efficiency to their optimization criteria. Similarly, at the system level, opportunities now exist for energy-aware scheduling to meet external utility constraints such as time of day cost charging and power ramp rate limitations. Finally, future architectures might not be able to operate all components at full capability for a range of reasons including temperature considerations or power delivery limitations. Software will need to make appropriate choices about how to allocate the available power budget given many, sometimes conflicting considerations.
Quantum simulations promise to be one of the primary applications of quantum computers, should one be constructed. This article briefly summarizes the history of quantum simulation in light of the recent result of Wang and co-workers, demonstrating calculation of the ground and excited states for a HeH+ molecule, and concludes with a discussion of why this and other recent progress in the field suggest that quantum simulations of quantum chemistry have a bright future. (Figure Presented).
New large eddy simulation (LES) turbulence models for incompressible magnetohydrodynamics (MHD) derived from the variational multiscale (VMS) formulation for finite element simulations are introduced. The new models include the variational multiscale formulation, a residual-based eddy viscosity model, and a mixed model that combines both of these component models. Each model contains terms that are proportional to the residual of the incompressible MHD equations and is therefore numerically consistent. Moreover, each model is also dynamic, in that its effect vanishes when this residual is small. The new models are tested on the decaying MHD Taylor Green vortex at low and high Reynolds numbers. The evaluation of the models is based on comparisons with available data from direct numerical simulations (DNS) of the time evolution of energies as well as energy spectra at various discrete times. A numerical study, on a sequence of meshes, is presented that demonstrates that the large eddy simulation approaches the DNS solution for these quantities with spatial mesh refinement.
We discuss a new approach to computing that retains the possibility of exponential growth while making substantial use of the existing technology. The exponential improvement path of Moore's Law has been the driver behind the computing approach of Turing, von Neumann, and FORTRAN-like languages. Performance growth is slowing at the system level, even though further exponential growth should be possible. We propose two technology shifts as a remedy, the first being the formulation of a scaling rule for scaling into the third dimension. This involves use of circuit-level energy efficiency increases using adiabatic circuits to avoid overheating. However, this scaling rule is incompatible with the von Neumann architecture. The second technology shift is a computer architecture and programming change to an extremely aggressive form of Processor-In-Memory (PIM) architecture, which we call Processor-In-Memory-and-Storage (PIMS). Theoretical analysis shows that the PIMS architecture is compatible with the 3D scaling rule, suggesting both immediate benefit and a long-term improvement path.
The Department of Energy’s (DOE) Biological and Environmental Research project, “Water Cycle and Climate Extremes Modeling” is improving our understanding and modeling of regional details of the Earth’s water cycle. Sandia is using high resolution model behavior to investigate storms in the Arctic.
The performance of a large-scale, production-quality science and engineering application (‘app’) is often dominated by a small subset of the code. Even within that subset, computational and data access patterns are often repeated, so that an even smaller portion can represent the performance-impacting features. If application developers, parallel computing experts, and computer architects can together identify this representative subset and then develop a small mini-application (‘miniapp’) that can capture these primary performance characteristics, then this miniapp can be used to both improve the performance of the app as well as provide a tool for co-design for the high-performance computing community. However, a critical question is whether a miniapp can effectively capture key performance behavior of an app. This study provides a comparison of an implicit finite element semiconductor device modeling app on unstructured meshes with an implicit finite element miniapp on unstructured meshes. The goal is to assess whether the miniapp is predictive of the performance of the app. Finally, single compute node performance will be compared, as well as scaling up to 16,000 cores. Results indicate that the miniapp can be reasonably predictive of the performance characteristics of the app for a single iteration of the solver on a single compute node.
The energy concerns of many-core processors are increasing with the number of cores. We provide a new method that reduces energy consumption of an application on many-core processors by identifying unique segments to apply dynamic voltage and frequency scaling (DVFS). Our method, phase-based voltage and frequency scaling (PVFS), hinges on the identification of phases, i.e., Segments of code with unique performance and power attributes, using hidden Markov Models. In particular, we demonstrate the use of this method to target hardware components on many-core processors such as Network-on-Chip (NoC). PVFS uses these phases to construct a static power schedule that uses DVFS to reduce energy with minimal performance penalty. This general scheme can be used with a variety of performance and power metrics to match the needs of the system and application. More importantly, the flexibility in the general scheme allows for targeting of the unique hardware components of future many-core processors. We provide an in-depth analysis of PVFS applied to five threaded benchmark applications, and demonstrate the advantage of using PVFS for 4 to 32 cores in a single socket. Empirical results of PVFS show a reduction of up to 10.1% of total energy while only impacting total time by at most 2.7% across all core counts. Furthermore, PVFS outperforms standard coarse-grain time-driven DVFS, while scaling better in terms of energy savings with increasing core counts.
The divergence in the computer architecture landscape has resulted in different architectures being considered mainstream at the same time. For application and algorithm developers, a dilemma arises when one must focus on using underlying architectural features to extract the best performance on each of these architectures, while writing portable code at the same time. We focus on this problem with graph analytics as our target application domain. In this paper, we present an abstraction-based methodology for performance-portable graph algorithm design on manicure architectures. We demonstrate our approach by systematically optimizing algorithms for the problems of breadth-first search, color propagation, and strongly connected components. We use Kokkos, a manicure library and programming model, for prototyping our algorithms. Our portable implementation of the strongly connected components algorithm on the NVIDIA Tesla K40M is up to 3.25× faster than a state-of-the-art parallel CPU implementation on a dual-socket Sandy Bridge compute node.
We present a new distributed model for graph computations motivated by limited information sharing. Two or more independent entities have collected large social graphs. They wish to compute the result of running graph algorithms on the entire set of relationships. Because the information is sensitive or economically valuable, they do not wish to simply combine the information in a single location. We consider two models for computing the solution to graph algorithms in this setting: 1) limited-sharing: the two entities can share only a poly logarithmic size subgraph, 2) low-trust: the entities must not reveal any information beyond the query answer, assuming they are all honest but curious. We believe this model captures realistic constraints on cooperating autonomous data centres' have results for both models for s-t connectivity, one of the simplest graph problems that requires global information in the worst case. In the limited-sharing model, our results exploit social network structure. Standard communication complexity gives polynomial lower bounds on s-t connectivity for general graphs. However, if the graph for each data centre has a giant component and these giant components intersect, then we can overcome this lower bound, computing-t connectivity while exchanging O(log 2 n) bits for a constant number of data centers. We can also test the assumption that the giant components overlap using O(log 2 n) bits provided the (unknown) overlap is sufficiently large. The second result is in the low trust model. We give a secure multi-party computation (MPC) algorithm that 1) does not make cryptographic assumptions when there are 3 or more entities, and 2) is efficient, especially when compared to the usual garbled circuit approach. The entities learn only the yes/no answer. No party learns anything about the others' graph, not even node names. This algorithm does not require any special graph structure. This secure MPC result for s-t connectivity is one of the first that involves a few parties computing on large inputs, instead of many parties computing on a few local values.
We describe new capabilities for modeling MPEC problems within the Pyomo modeling software. These capabilities include new modeling components that represent complementar- ity conditions, modeling transformations for re-expressing models with complementarity con- ditions in other forms, and meta-solvers that apply transformations and numeric optimization solvers to optimize MPEC problems. We illustrate the breadth of Pyomo's modeling capabil- ities for MPEC problems, and we describe how Pyomo's meta-solvers can perform local and global optimization of MPEC problems.