General purpose lattice QCD code set Bridge++ 2.0 for high performance computing

XXXII IUPAP Conference on Computational Physics Aug 2 – Aug 5, 2021 Coventry (online)Bridge++ is a general-purpose code set for a numerical simulation of lattice QCD aiming at a readable, extensible, and portable code while keeping practically high performance. The previous version of Bridge++ is implemented in double precision with a fixed data layout. To exploit the high arithmetic capability of new processor architecture, we extend the Bridge++ code so that optimized code is available as a new branch, i.e., an alternative to the original code. This paper explains our strategy of implementation and displays application examples to the following architectures and systems: Intel AVX-512 on Xeon Phi Knights Landing, Arm A64FX-SVE on Fujitsu A64FX (Fugaku), NEC SX-Aurora TSUBASA, and GPU cluster with NVIDIA V100

Optimización del rendimiento y la eficiencia energética en sistemas masivamente paralelos

RESUMEN Los sistemas heterogéneos son cada vez más relevantes, debido a sus capacidades de rendimiento y eficiencia energética, estando presentes en todo tipo de plataformas de cómputo, desde dispositivos embebidos y servidores, hasta nodos HPC de grandes centros de datos. Su complejidad hace que sean habitualmente usados bajo el paradigma de tareas y el modelo de programación host-device. Esto penaliza fuertemente el aprovechamiento de los aceleradores y el consumo energético del sistema, además de dificultar la adaptación de las aplicaciones. La co-ejecución permite que todos los dispositivos cooperen para computar el mismo problema, consumiendo menos tiempo y energía. No obstante, los programadores deben encargarse de toda la gestión de los dispositivos, la distribución de la carga y la portabilidad del código entre sistemas, complicando notablemente su programación. Esta tesis ofrece contribuciones para mejorar el rendimiento y la eficiencia energética en estos sistemas masivamente paralelos. Se realizan propuestas que abordan objetivos generalmente contrapuestos: se mejora la usabilidad y la programabilidad, a la vez que se garantiza una mayor abstracción y extensibilidad del sistema, y al mismo tiempo se aumenta el rendimiento, la escalabilidad y la eficiencia energética. Para ello, se proponen dos motores de ejecución con enfoques completamente distintos. EngineCL, centrado en OpenCL y con una API de alto nivel, favorece la máxima compatibilidad entre todo tipo de dispositivos y proporciona un sistema modular extensible. Su versatilidad permite adaptarlo a entornos para los que no fue concebido, como aplicaciones con ejecuciones restringidas por tiempo o simuladores HPC de dinámica molecular, como el utilizado en un centro de investigación internacional. Considerando las tendencias industriales y enfatizando la aplicabilidad profesional, CoexecutorRuntime proporciona un sistema flexible centrado en C++/SYCL que dota de soporte a la co-ejecución a la tecnología oneAPI. Este runtime acerca a los programadores al dominio del problema, posibilitando la explotación de estrategias dinámicas adaptativas que mejoran la eficiencia en todo tipo de aplicaciones.ABSTRACT Heterogeneous systems are becoming increasingly relevant, due to their performance and energy efficiency capabilities, being present in all types of computing platforms, from embedded devices and servers to HPC nodes in large data centers. Their complexity implies that they are usually used under the task paradigm and the host-device programming model. This strongly penalizes accelerator utilization and system energy consumption, as well as making it difficult to adapt applications. Co-execution allows all devices to simultaneously compute the same problem, cooperating to consume less time and energy. However, programmers must handle all device management, workload distribution and code portability between systems, significantly complicating their programming. This thesis offers contributions to improve performance and energy efficiency in these massively parallel systems. The proposals address the following generally conflicting objectives: usability and programmability are improved, while ensuring enhanced system abstraction and extensibility, and at the same time performance, scalability and energy efficiency are increased. To achieve this, two runtime systems with completely different approaches are proposed. EngineCL, focused on OpenCL and with a high-level API, provides an extensible modular system and favors maximum compatibility between all types of devices. Its versatility allows it to be adapted to environments for which it was not originally designed, including applications with time-constrained executions or molecular dynamics HPC simulators, such as the one used in an international research center. Considering industrial trends and emphasizing professional applicability, CoexecutorRuntime provides a flexible C++/SYCL-based system that provides co-execution support for oneAPI technology. This runtime brings programmers closer to the problem domain, enabling the exploitation of dynamic adaptive strategies that improve efficiency in all types of applications.Funding: This PhD has been supported by the Spanish Ministry of Education (FPU16/03299 grant), the Spanish Science and Technology Commission under contracts TIN2016-76635-C2-2-R and PID2019-105660RB-C22. This work has also been partially supported by the Mont-Blanc 3: European Scalable and Power Efficient HPC Platform based on Low-Power Embedded Technology project (G.A. No. 671697) from the European Union’s Horizon 2020 Research and Innovation Programme (H2020 Programme). Some activities have also been funded by the Spanish Science and Technology Commission under contract TIN2016-81840-REDT (CAPAP-H6 network). The Integration II: Hybrid programming models of Chapter 4 has been partially performed under the Project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H2020 Programme. In particular, the author gratefully acknowledges the support of the SPMT Department of the High Performance Computing Center Stuttgart (HLRS)

Large-Scale Direct Numerical Simulations of Turbulence Using GPUs and Modern Fortran

We present our approach to making direct numerical simulations of turbulence with applications in sustainable shipping. We use modern Fortran and the spectral element method to leverage and scale on supercomputers powered by the Nvidia A100 and the recent AMD Instinct MI250X GPUs, while still providing support for user software developed in Fortran. We demonstrate the efficiency of our approach by performing the world's first direct numerical simulation of the flow around a Flettner rotor at Re=30'000 and its interaction with a turbulent boundary layer. We present one of the first performance comparisons between the AMD Instinct MI250X and Nvidia A100 GPUs for scalable computational fluid dynamics. Our results show that one MI250X offers performance on par with two A100 GPUs and has a similar power efficiency.Comment: 13 pages, 7 figure

Hardware-conscious query processing for the many-core era

Die optimale Nutzung von moderner Hardware zur Beschleunigung von Datenbank-Anfragen ist keine triviale Aufgabe. Viele DBMS als auch DSMS der letzten Jahrzehnte basieren auf Sachverhalten, die heute kaum noch Gültigkeit besitzen. Ein Beispiel hierfür sind heutige Server-Systeme, deren Hauptspeichergröße im Bereich mehrerer Terabytes liegen kann und somit den Weg für Hauptspeicherdatenbanken geebnet haben. Einer der größeren letzten Hardware Trends geht hin zu Prozessoren mit einer hohen Anzahl von Kernen, den sogenannten Manycore CPUs. Diese erlauben hohe Parallelitätsgrade für Programme durch Multithreading sowie Vektorisierung (SIMD), was die Anforderungen an die Speicher-Bandbreite allerdings deutlich erhöht. Der sogenannte High-Bandwidth Memory (HBM) versucht diese Lücke zu schließen, kann aber ebenso wie Many-core CPUs jeglichen Performance-Vorteil negieren, wenn dieser leichtfertig eingesetzt wird. Diese Arbeit stellt die Many-core CPU-Architektur zusammen mit HBM vor, um Datenbank sowie Datenstrom-Anfragen zu beschleunigen. Es wird gezeigt, dass ein hardwarenahes Kostenmodell zusammen mit einem Kalibrierungsansatz die Performance verschiedener Anfrageoperatoren verlässlich vorhersagen kann. Dies ermöglicht sowohl eine adaptive Partitionierungs und Merge-Strategie für die Parallelisierung von Datenstrom-Anfragen als auch eine ideale Konfiguration von Join-Operationen auf einem DBMS. Nichtsdestotrotz ist nicht jede Operation und Anwendung für die Nutzung einer Many-core CPU und HBM geeignet. Datenstrom-Anfragen sind oft auch an niedrige Latenz und schnelle Antwortzeiten gebunden, welche von höherer Speicher-Bandbreite kaum profitieren können. Hinzu kommen üblicherweise niedrigere Taktraten durch die hohe Kernzahl der CPUs, sowie Nachteile für geteilte Datenstrukturen, wie das Herstellen von Cache-Kohärenz und das Synchronisieren von parallelen Thread-Zugriffen. Basierend auf den Ergebnissen dieser Arbeit lässt sich ableiten, welche parallelen Datenstrukturen sich für die Verwendung von HBM besonders eignen. Des Weiteren werden verschiedene Techniken zur Parallelisierung und Synchronisierung von Datenstrukturen vorgestellt, deren Effizienz anhand eines Mehrwege-Datenstrom-Joins demonstriert wird.Exploiting the opportunities given by modern hardware for accelerating query processing speed is no trivial task. Many DBMS and also DSMS from past decades are based on fundamentals that have changed over time, e.g., servers of today with terabytes of main memory capacity allow complete avoidance of spilling data to disk, which has prepared the ground some time ago for main memory databases. One of the recent trends in hardware are many-core processors with hundreds of logical cores on a single CPU, providing an intense degree of parallelism through multithreading as well as vectorized instructions (SIMD). Their demand for memory bandwidth has led to the further development of high-bandwidth memory (HBM) to overcome the memory wall. However, many-core CPUs as well as HBM have many pitfalls that can nullify any performance gain with ease. In this work, we explore the many-core architecture along with HBM for database and data stream query processing. We demonstrate that a hardware-conscious cost model with a calibration approach allows reliable performance prediction of various query operations. Based on that information, we can, therefore, come to an adaptive partitioning and merging strategy for stream query parallelization as well as finding an ideal configuration of parameters for one of the most common tasks in the history of DBMS, join processing. However, not all operations and applications can exploit a many-core processor or HBM, though. Stream queries optimized for low latency and quick individual responses usually do not benefit well from more bandwidth and suffer from penalties like low clock frequencies of many-core CPUs as well. Shared data structures between cores also lead to problems with cache coherence as well as high contention. Based on our insights, we give a rule of thumb which data structures are suitable to parallelize with focus on HBM usage. In addition, different parallelization schemas and synchronization techniques are evaluated, based on the example of a multiway stream join operation