Tuning and optimization for a variety of many-core architectures without changing a single line of implementation code using the Alpaka library

We present an analysis on optimizing performance of a single C++11 source code using the Alpaka hardware abstraction library. For this we use the general matrix multiplication (GEMM) algorithm in order to show that compilers can optimize Alpaka code effectively when tuning key parameters of the algorithm. We do not intend to rival existing, highly optimized DGEMM versions, but merely choose this example to prove that Alpaka allows for platform-specific tuning with a single source code. In addition we analyze the optimization potential available with vendor-specific compilers when confronted with the heavily templated abstractions of Alpaka. We specifically test the code for bleeding edge architectures such as Nvidia's Tesla P100, Intel's Knights Landing (KNL) and Haswell architecture as well as IBM's Power8 system. On some of these we are able to reach almost 50\% of the peak floating point operation performance using the aforementioned means. When adding compiler-specific #pragmas we are able to reach 5 TFLOPS/s on a P100 and over 1 TFLOPS/s on a KNL system.Comment: Accepted paper for the P\^{}3MA workshop at the ISC 2017 in Frankfur

Investigating performance portability of a highly scalable particle-in-cell simulation code on various multi-core architectures

The alpaka library defines and implements an abstract hierarchical redundant parallelism model. This model exploits parallelism and memory hierarchies on a node at all levels available in current hardware. This allows to achieve portability of performant codes across various types of accelerators by ignoring specific unsupported levels and utilizing only the ones supported on a specific accelerator. All hardware types (multi- and many-core CPUs, GPUs and other accelerators) are treated and can be programmed in the same way. The C++ template interface provided allows for straightforward extension of the library to support other accelerators and specialization of its internals for optimization

Evaluating Portable Parallelization Strategies for Heterogeneous Architectures in High Energy Physics

High-energy physics (HEP) experiments have developed millions of lines of code over decades that are optimized to run on traditional x86 CPU systems. However, we are seeing a rapidly increasing fraction of floating point computing power in leadership-class computing facilities and traditional data centers coming from new accelerator architectures, such as GPUs. HEP experiments are now faced with the untenable prospect of rewriting millions of lines of x86 CPU code, for the increasingly dominant architectures found in these computational accelerators. This task is made more challenging by the architecture-specific languages and APIs promoted by manufacturers such as NVIDIA, Intel and AMD. Producing multiple, architecture-specific implementations is not a viable scenario, given the available person power and code maintenance issues. The Portable Parallelization Strategies team of the HEP Center for Computational Excellence is investigating the use of Kokkos, SYCL, OpenMP, std::execution::parallel and alpaka as potential portability solutions that promise to execute on multiple architectures from the same source code, using representative use cases from major HEP experiments, including the DUNE experiment of the Long Baseline Neutrino Facility, and the ATLAS and CMS experiments of the Large Hadron Collider. This cross-cutting evaluation of portability solutions using real applications will help inform and guide the HEP community when choosing their software and hardware suites for the next generation of experimental frameworks. We present the outcomes of our studies, including performance metrics, porting challenges, API evaluations, and build system integration.Comment: 18 pages, 9 Figures, 2 Table

Supercomputing Frontiers

This open access book constitutes the refereed proceedings of the 7th Asian Conference Supercomputing Conference, SCFA 2022, which took place in Singapore in March 2022. The 8 full papers presented in this book were carefully reviewed and selected from 21 submissions. They cover a range of topics including file systems, memory hierarchy, HPC cloud platform, container image configuration workflow, large-scale applications, and scheduling

On the Scalability of Data Reduction Techniques in Current and Upcoming HPC Systems from an Application Perspective

We implement and benchmark parallel I/O methods for the fully-manycore driven particle-in-cell code PIConGPU. Identifying throughput and overall I/O size as a major challenge for applications on today's and future HPC systems, we present a scaling law characterizing performance bottlenecks in state-of-the-art approaches for data reduction. Consequently, we propose, implement and verify multi-threaded data-transformations for the I/O library ADIOS as a feasible way to trade underutilized host-side compute potential on heterogeneous systems for reduced I/O latency.Comment: 15 pages, 5 figures, accepted for DRBSD-1 in conjunction with ISC'1

Offloading electromagnetic shower transport to GPUs

Making general particle transport simulation for high-energy physics (HEP) single-instruction-multiple-thread (SIMT) friendly, to take advantage of accelerator hardware, is an important alternative for boosting the throughput of simulation applications. To date, this challenge is not yet resolved, due to difficulties in mapping the complexity of Geant4 components and workflow to the massive parallelism features exposed by graphics processing units (GPU). The AdePT project is one of the R\&D initiatives tackling this limitation and exploring GPUs as potential accelerators for offloading some part of the CPU simulation workload. Our main target is to implement a complete electromagnetic shower demonstrator working on the GPU. The project is the first to create a full prototype of a realistic electron, positron, and gamma electromagnetic shower simulation on GPU, implemented as either a standalone application or as an extension of the standard Geant4 CPU workflow. Our prototype currently provides a platform to explore many optimisations and different approaches. We present the most recent results and initial conclusions of our work, using both a standalone GPU performance analysis and a first implementation of a hybrid workflow based on Geant4 on the CPU and AdePT on the GPU.Comment: 8 pages, 4 figures, 20th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2021), to be published in Journal of Physics: Conference Series, editor Andrei Gheat

Development of a heterogeneous clustering algorithm for particle shower reconstruction in high energy physics using the SYCL abstraction layer

Nei prossimi anni è atteso un aggiornamento sostanziale di LHC, che prevede di aumentare la luminosità integrata di un fattore 10 rispetto a quella attuale. Tale parametro è proporzionale al numero di collisioni per unità di tempo. Per questo, le risorse computazionali necessarie a tutti i livelli della ricostruzione cresceranno notevolmente. Dunque, la collaborazione CMS ha cominciato già da alcuni anni ad esplorare le possibilità offerte dal calcolo eterogeneo, ovvero la pratica di distribuire la computazione tra CPU e altri acceleratori dedicati, come ad esempio schede grafiche (GPU). Una delle difficoltà di questo approccio è la necessità di scrivere, validare e mantenere codice diverso per ogni dispositivo su cui dovrà essere eseguito. Questa tesi presenta la possibilità di usare SYCL per tradurre codice per la ricostruzione di eventi in modo che sia eseguibile ed efficiente su diversi dispositivi senza modifiche sostanziali. SYCL è un livello di astrazione per il calcolo eterogeneo, che rispetta lo standard ISO C++. Questo studio si concentra sul porting di un algoritmo di clustering dei depositi di energia calorimetrici, CLUE, usando oneAPI, l'implementazione SYCL supportata da Intel. Inizialmente, è stato tradotto l'algoritmo nella sua versione standalone, principalmente per prendere familiarità con SYCL e per la comodità di confronto delle performance con le versioni già esistenti. In questo caso, le prestazioni sono molto simili a quelle di codice CUDA nativo, a parità di hardware. Per validare la fisica, l'algoritmo è stato integrato all'interno di una versione ridotta del framework usato da CMS per la ricostruzione. I risultati fisici sono identici alle altre implementazioni mentre, dal punto di vista delle prestazioni computazionali, in alcuni casi, SYCL produce codice più veloce di altri livelli di astrazione adottati da CMS, presentandosi dunque come una possibilità interessante per il futuro del calcolo eterogeneo nella fisica delle alte energie

Quantum ESPRESSO toward the exascale

Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves, and renowned for its performance on a wide range of hardware architectures, from laptops to massively parallel computers, as well as for the breadth of its applications. In this paper, we present a motivation and brief review of the ongoing effort to port Quantum ESPRESSO onto heterogeneous architectures based on hardware accelerators, which will overcome the energy constraints that are currently hindering the way toward exascale computing