slaclab/Genesis-1.3-Version2
The latest release of Genesis supports parallel computer architecture, based on the Message Passing Interface (MPI) protocol.
Mayes, Christopher↗
SEARCH · Engineering Papers
Results for “message based architecture”
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.
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Mesh-based super-resolution of fluid flows with multiscale graph neural networks
A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on localized meshes of elements (or cells) directly. To facilitate mesh-based GNN representations in a manner similar to spectral (or finite) element discretizations, a baseline GNN layer (termed a message passing layer, which updates local node properties) is modified to account for synchronization of coincident graph nodes, rendering compatibility with commonly used element-based mesh connectivities. Furthermore, the architecture is multiscale in nature, and is comprised of a combination of coarse-scale and fine-scale message passing layer sequences (termed processors) separated by a graph unpooling layer. The coarse-scale processor embeds a query element (alongside a set number of neighboring coarse elements) into a single latent graph representation using coarse-scale synchronized message passing over the element neighborhood, and the fine-scale processor leverages additional message passing operations on this latent graph to correct for interpolation errors. Demonstration studies are performed using hexahedral mesh-based data from Taylor–Green Vortex and backward-facing step flow simulations at Reynolds numbers of 1600 and 3200. Through analysis of both global and local errors, the results ultimately show how the GNN is able to produce accurate super-resolved fields compared to targets in both coarse-scale and multiscale model configurations. Reconstruction errors for fixed architectures were found to increase in proportion to the Reynolds number. Geometry extrapolation studies on a separate cavity flow configuration show promising cross-mesh capabilities of the super-resolution strategy.
Backward-facing step↗
Planning for Pre-Exascale Platform Environment (Fiscal Year 2015 Level 2 Milestone 5216)
This Plan for ASC Pre-Exascale Platform Environments document constitutes the deliverable for the fiscal year 2015 (FY15) Advanced Simulation and Computing (ASC) Program Level 2 milestone Planning for Pre-Exascale Platform Environment. It acknowledges and quantifies challenges and recognized gaps for moving the ASC Program towards effective use of exascale platforms and recommends strategies to address these gaps. This document also presents an update to the concerns, strategies, and plans presented in the FY08 predecessor document that dealt with the upcoming (at the time) petascale high performance computing (HPC) platforms. With the looming push towards exascale systems, a review of the earlier document was appropriate in light of the myriad architectural choices currently under consideration. The ASC Program believes the platforms to be fielded in the 2020s will be fundamentally different systems that stress ASC’s ability to modify codes to take full advantage of new or unique features. In addition, the scale of components will increase the difficulty of maintaining an errorfree system, thus driving new approaches to resilience and error detection/correction. The code revamps of the past, from serial- to vector-centric code to distributed memory to threaded implementations, will be revisited as codes adapt to a new message passing interface (MPI) plus “x” or more advanced and dynamic programming models based on architectural specifics. Development efforts are already underway in some cases, and more difficult or uncertain aspects of the new architectures will require research and analysis that may inform future directions for program choices. In addition, the potential diversity of system architectures may require parallel if not duplicative efforts to analyze and modify environments, codes, subsystems, libraries, debugging tools, and performance analysis techniques as well as exploring new monitoring methodologies. It is difficult if not impossible to selectively eliminate some of these activities until more information is available through simulations of potential architectures, analysis of systems designs, and informed study of commodity technologies that will be the constituent parts of future platforms.
97 MATHEMATICS AND COMPUTING↗
In the Face of Cybersecurity: How the Common Information Model Can Be Used
Efforts are underway to combine smart grid information, devices, networking, and emergency response information to create messages that are not dependent on specific standards development organizations (SDOs). This supports a future-proof approach of allowing changes in the canonical data models (CDMs) going forward without having to perform forklift replacements of solutions that use the messages. This also allows end users (electric utilities) to upgrade individual components of a larger system while keeping the message payload definitions intact. The goal is to enable public and private information sharing securely in a standards-based approach that can be integrated into existing operations. We provide an example architecture that could benefit from this multi-SDO, secure message approach. This article also describes how to improve message security
capability maturity model↗
2015 ESGF Progress Report
The Earth System Grid Federation (ESGF) is a multi-agency, international collaboration whose purpose is to develop the software infrastructure needed to facilitate and empower the study of climate change on a global scale. ESGF’s architecture employs a system of geographically distributed peer nodes that are independently administered yet united by common federation protocols and application programming interfaces. The cornerstones of its interoperability are the peer-to-peer messaging, which is continuously exchanged among all nodes in the federation; a shared architecture for search and discovery; and a security infrastructure based on industry standards. ESGF integrates popular application engines available from the open-source community with custom components (for data publishing, searching, user interface, security, and messaging) that were developed collaboratively by the team. The full ESGF infrastructure has now been adopted by multiple Earth science projects and allows access to petabytes of geophysical data, including the Coupled Model Intercomparison Project (CMIP)—output used by the Intergovernmental Panel on Climate Change assessment reports. ESGF is a successful example of integration of disparate open-source technologies into a cohesive functional system that serves the needs of the global climate science community.
54 ENVIRONMENTAL SCIENCES↗
Graph-Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical Power Networks
With the increasing complexity and data availability in modern power systems, learning-based approaches to AC Optimal Power Flow (AC OPF) have garnered significant attention. In particular, the structure of smart grids lends itself naturally to graph-based representations, where Graph Neural Networks (GNNs) can capture spatial and relational dependencies. This paper investigates attention-based GNN architectures tailored to heterogeneous graph representations of electric grids. We evaluate two major paradigms: relational attention, which distinguishes between edge types during message passing, and meta-path attention, which captures high-level semantics through multi-hop, typed paths. Using a large corpus of public AC OPF scenarios, we benchmark representative models of each type of attention. Our results demonstrate the benefits of heterogeneous attention-based models in accurately capturing grid dynamics; heterogeneous attention models achieve superior performance in both standard and perturbed settings. The findings highlight the importance of semantic-aware architectures for improving prediction robustness and interpretability in power system applications.
Trigui, Ali [Qubit Engineering Inc.]↗
Real-Time Hardware-in-the-Loop Testbed to Evaluate FLISR Implemented with OpenFMB
With the increasing complexity of the distribution smart grid architecture, algorithms such as the fault location, isolation, and service restoration (FLISR) scheme rely on robust communications that are resilient to natural and man-made adverse conditions and exhibit robustness. Existing communications infrastructure for information exchange are centralized at the distribution management system, with very little autonomy or intelligence at the grid-edge. As a first step towards achieving grid-edge self-healing, this paper aims to bridge this shortcoming by implementing a centrally coordinated rules-based FLISR scheme and integrating it with Open Field Message Bus (OpenFMB), which is a flexible publish-subscribe architecture with the potential to enable point-to-multipoint communications and is more robust and resilient to natural and man-made adverse conditions. A proof of concept is developed to validate the centrally coordinated FLISR and OpenFMB mounted on an SEL-3360 computer that interacts with a simple feeder network of five SEL-651R relays, an SEL-3530 RTAC, and a hardware-in-the-loop testbed. Results demonstrate the efficacy of this approach in enabling direct, low-latency information exchange. OpenFMB's publish-subscribe data model also opens new ways to enable grid-edge interoperability among devices of different vendors interacting with different protocols.
Sundararajan, Aditya↗
Compiling MPI for Many-Core Systems
Processors with multiple (or many) cores and shared memory are becoming ubiquitous across the com puting spectrum. MPI, the current de facto program ming model for scalable parallel applications, enforces copies between source and target processes and thus can not fully utilize shared memory and cache architectures of modern machines. To enable MPI-based programs to more fully exploit features of multi- and many-core architectures, we present a compiler-based transformation that transforms MPI processes into threads and fuses message serialization and deserialization loops such that send and receive calls can be replaced by direct memory accesses. Our compiler replaces most of the MPI communication functions with direct load/store accesses and our runtime provides a threaded MPI implementation to handle the remaining functions.
97 MATHEMATICS AND COMPUTING↗
dCache – Efficient Message Encoding For Inter-Service Communication in dCache: Evaluation of Existing Serialization Protocols as a Replacement for Java Object Serialization
As a well established, large-scale distributed storage system, dCache is used to manage and serve huge amounts of data collected by high energy physics, astrophysics and photon science experiments. Based on a microservices-like architecture, dCache is built as a modular distributed system, where each component provides a different core functionality. These services communicate by passing serialized messages to each other, a core behavior whose performance properties can consequently affect the entire system.This paper compares and evaluates different data serialization protocols in computer science with the objective of replacing and improving upon Java Object Serialization (JOS), which has increasingly presented itself as no longer being sufficiently performant for encoding messages. The criteria for choosing a new framework are collected, analyzed and formalized. The primary motivation for replacing Java serialization for encoding dCache messages is increasing the general speed of message-passing and thereby reducing the round-trip time for user requests. Emphasis is also placed on schema evolution capabilities and framework usability. Approaches for generalizing (de)serialization speed and size measurements based on data structure complexity are introduced, criteria for measuring documentation, learning curve, maintainability and introduction effort are defined. Finally, several selected serialization protocols are evaluated and compared accordingly, concluding with a recommendation for a suitable JOS replacement.
Morschel, Lea↗
Exploring DataVortex Systems for Irregular Applications
Emerging applications for data analytics and knowledge discovery typically have irregular or unpredictable communication patterns that do not scale well on parallel systems designed for traditional bulk-synchronous HPC applications. New network architectures that focus on minimizing (short) message latencies, rather than maximizing (large) transfer bandwidths, are emerging as possible alternatives to better support those applications with irregular communication patterns. We explore a system based upon one such novel network architecture, the Data Vortex interconnection network, and examine how this system performs by running benchmark code written for the Data Vortex network, as well as a reference MPI-over- Infiniband implementation, on the same cluster.
Data Vortex, High-Performance Computing, Networkin↗
iDDS: intelligent distributed dispatch and scheduling for workflow orchestration
The intelligent distributed dispatch and scheduling (iDDS) service is a versatile workflow orchestration system designed for large-scale, distributed scientific computing. iDDS extends traditional workload and data management by integrating data-aware execution, conditional logic, and programmable workflows, enabling automation of complex and dynamic processing pipelines. Originally developed for the ATLAS experiment at the large hadron collider, iDDS has evolved into an experiment-agnostic platform that supports both template-driven workflows and a Function-as-a-Task model for Python-based orchestration. This paper presents the architecture and core components of iDDS, highlighting its scalability, modular message-driven design, and integration with systems such as PanDA and Rucio. We demonstrate its versatility through real-world use cases: fine-grained tape resource optimization for ATLAS, orchestration of large Directed Acyclic Graph (DAG) workflows for the Rubin Observatory, distributed hyperparameter optimization for machine learning applications, active learning for physics analyses, and AI-assisted detector design at the electron–ion collider. By unifying workload scheduling, data movement, and adaptive decision-making, iDDS reduces operational overhead and enables reproducible, high-throughput workflows across heterogeneous infrastructures. We conclude with current challenges and future directions, including interactive, cloud-native, and serverless workflow support.
97 MATHEMATICS AND COMPUTING↗
National Renewable Energy Laboratory (NREL) Topic 2 Final Report: End-to-End Communication and Control System to Support Clean Energy Technologies
This document is the final report of a two-year development, test, and demonstration project, 'Cohesive Application of Standards- Based Connected Devices to Enable Clean Energy Technologies.' The project was part of the National Renewable Energy Laboratory's (NREL's) Integrated Network Testbed for Energy Grid Research and Technology (INTEGRATE) initiative hosted at Energy Systems Integration Facility (ESIF). This project demonstrated techniques to control distribution grid events using the coordination of traditional distribution grid devices and high-penetration renewable resources and demand response. Using standard communication protocols and semantic standards, the project examined the use cases of high/low distribution voltage, requests for volt-ampere-reactive (VAR) power support, and transactive energy strategies using Volttron. Open source software, written by EPRI to control distributed energy resources (DER) and demand response (DR), was used by an advanced distribution management system (ADMS) to abstract the resources reporting to a collection of capabilities rather than needing to know specific resource types. This architecture allows for scaling both horizontally and vertically. Several new technologies were developed and tested. Messages from the ADMS based on the common information model (CIM) were developed to control the DER and DR management systems. The OpenADR standard was used to help manage grid events by turning loads off and on. Volttron technology was used to simulate a homeowner choosing the price at which to enter the demand response market. Finally, the ADMS used newly developed algorithms to coordinate these resources with a capacitor bank and voltage regulator to respond to grid events.
24 POWER TRANSMISSION AND DISTRIBUTION↗
SDN-Based Dynamic Cybersecurity Framework of IEC-61850 Communications in Smart Grid
In recent years, critical infrastructure and power grids have experienced a series of cyber-attacks, leading to temporary, widespread blackouts of considerable magnitude. Since most substations are unmanned and have limited physical security protection, cyber breaches into power grid substations present a risk. Nowadays, the susceptibility of SDN architecture to cyber-attacks has exhibited a notable increase in recent years, as indicated by research findings. This suggests a growing concern regarding the potential for cybersecurity breaches within the SDN framework. In this paper, we propose a hybrid intrusion detection system (IDS)-integrated SDN architecture for detecting and preventing the injection of malicious IEC 61850-based generic object-oriented system event (GOOSE) messages in a digital substation. Additionally, this program locates the fault’s location and, as a form of mitigation, disables a certain port. Furthermore, implementation examples are demonstrated and verified using a hardware-in-the-loop (HIL) testbed that mimics the functioning of a digital substation.
Liu, Chen-Ching [Virginia Tech] (ORCID:00000002894↗
Porting a 3D seismic modeling code (SW4) to CORAL machines
Seismic waves fourth order (SW4) solves the seismic wave equations on Cartesian and curvilinear grids using large compute clusters with O (100,000) cores. In this article we discuss the porting of SW4 to run on the CORAL architecture using the RAJA performance portability abstraction layer. The performances of key kernels using RAJA and CUDA are compared to estimate the performance penalty of using the portability abstraction layer. Code changes required for efficiency on GPUs and minimizing time spent in Message Passing Interface (MPI) are discussed. This article describes a path for efficiently porting large code bases to GPU-based machines while avoiding the pitfalls of a new architecture in the early stages of its deployment. Current bottlenecks in the code are discussed along with possible architectural or software mitigations. SW4 runs 28× faster on one 4-GPU CORAL node than on a CTS-1 node (Dual Intel Xeon E5-2695 v4). SW4 is now in routine use on problems of unprecedented resolution (203 billion grid points) and scale on 1,200 nodes of Summit.
97 MATHEMATICS AND COMPUTING↗
Performance modeling of microsecond scale biological molecular dynamics simulations on heterogeneous architectures
Performance improvements in biomolecular simulations based on molecular dynamics (MD) codes are widely desired. Unfortunately, the factors, which allowed past performance improvements, particularly the microprocessor clock frequencies, are no longer increasing. Hence, novel software and hardware solutions are being explored for accelerating performance of widely used MD codes. In this paper, we describe our efforts on porting, optimizing and tuning of Large-scale Atomic/Molecular Massively Parallel Simulator, a popular MD framework, on heterogeneous architectures: multi-core processors with graphical processing unit (GPU) accelerators. Our implementation is based on accelerating the most computationally expensive non-bonded interaction terms on the GPUs and overlapping the computation on the CPU and GPUs. This functionality is built on top of message passing interface that allows multi-level parallelism to be extracted even at the workstation level with the multi-core CPUs and allows extension of the implementation on GPU-enabled clusters. We hypothesize that the optimal benefit of heterogeneous architectures for applications will come by utilizing all possible resources (for example, CPU-cores and GPU devices on GPU-enabled clusters). Benchmarks for a range of biomolecular system sizes are provided, and an analysis is performed on four generations of NVIDIA's GPU devices. On GPU-enabled Linux clusters, by overlapping and pipelining computation and communication, we observe up to 10-folds application acceleration in multi-core and multi-GPU environments illustrating significant performance improvements. Detailed analysis of the implementation is presented that allows identification of bottlenecks in algorithm, indicating that code optimization and improvements on GPUs could allow microsecond scale simulation throughput on workstations and inexpensive GPU clusters, putting widely desired biologically relevant simulation time-scales within reach of a large user community. In order to systematically optimize simulation throughput and to enable performance prediction, we have developed a parameterized performance model that will allow developers and users to explore the performance potential of future heterogeneous systems for biological simulations.
Agarwal, Pratul K.↗
The PetscSF Scalable Communication Layer
PetscSF, the communication component of the Portable, Extensible Toolkit for Scientific Computation (PETSc), is designed to provide PETSc's communication infrastructure suitable for exascale computers that utilize GPUs and other accelerators. PetscSF provides a simple application programming interface (API) for managing common communication patterns in scientific computations by using a star-forest graph representation. PetscSF supports several implementations based on MPI and NVSHMEM, whose selection is based on the characteristics of the application or the target architecture. An efficient and portable model for network and intra-node communication is essential for implementing large-scale applications. The Message Passing Interface, which has been the de facto standard for distributed memory systems, has developed into a large complex API that does not yet provide high performance on the emerging heterogeneous CPU-GPU-based exascale systems. Here, we discuss the design of PetscSF, how it can overcome some difficulties of working directly with MPI on GPUs, and we demonstrate its performance, scalability, and novel features.
97 MATHEMATICS AND COMPUTING↗
Notified access in coarray-based hydrodynamics applications on many-core architectures: Design and performance
With the increasing availability of the Remote Direct Memory Access (RDMA) support in computer networks, the so called Partitioned Global Address Space (PGAS) model has evolved in the last few years. Although there are several cases where a PGAS approach can easily solve difficult message passing situations, like in particle tracking and adaptive mesh refinement applications, the producer-consumer pattern, usually adopted in task-based parallelism, can only be implemented inefficiently because of the separation between data transfer and synchronization (which is usually unified in message passing programming models). Here, in this paper, we provide two contributions: (1) we propose an extension for the Fortran language that provides the concept of Notified Access by associating regular coarray variables with event variables. (2) We demonstrate that the MPI extension proposed by foMPI for Notified Access can be used effectively to implement the same concept in a PGAS run-time library like OpenCoarrays. Moreover, for a hydrodynamics mini-application, we found that Fortran 2018 events perform always better than Fortran 2008 sync statements on many-core processors. We finally show how the proposed Notified Access can improve the performance even more.
97 MATHEMATICS AND COMPUTING↗
The design space of E(3)-equivariant atom-centred interatomic potentials
Abstract Molecular dynamics simulation is an important tool in computational materials science and chemistry, and in the past decade it has been revolutionized by machine learning. This rapid progress in machine learning interatomic potentials has produced a number of new architectures in just the past few years. Particularly notable among these are the atomic cluster expansion, which unified many of the earlier ideas around atom-density-based descriptors, and Neural Equivariant Interatomic Potentials (NequIP), a message-passing neural network with equivariant features that exhibited state-of-the-art accuracy at the time. Here we construct a mathematical framework that unifies these models: atomic cluster expansion is extended and recast as one layer of a multi-layer architecture, while the linearized version of NequIP is understood as a particular sparsification of a much larger polynomial model. Our framework also provides a practical tool for systematically probing different choices in this unified design space. An ablation study of NequIP, via a set of experiments looking at in- and out-of-domain accuracy and smooth extrapolation very far from the training data, sheds some light on which design choices are critical to achieving high accuracy. A much-simplified version of NequIP, which we call BOTnet (for body-ordered tensor network), has an interpretable architecture and maintains its accuracy on benchmark datasets.
Computer Science↗