Parallelizing the QUDA Library for Multi-GPU Calculations in Lattice Quantum Chromodynamics

Graphics Processing Units (GPUs) are having a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations of importance in nuclear and particle physics. The QUDA library provides a package of mixed precision sparse matrix linear solvers for LQCD applications, supporting single GPUs based on NVIDIA's Compute Unified Device Architecture (CUDA). This library, interfaced to the QDP++/Chroma framework for LQCD calculations, is currently in production use on the "9g" cluster at the Jefferson Laboratory, enabling unprecedented price/performance for a range of problems in LQCD. Nevertheless, memory constraints on current GPU devices limit the problem sizes that can be tackled. In this contribution we describe the parallelization of the QUDA library onto multiple GPUs using MPI, including strategies for the overlapping of communication and computation. We report on both weak and strong scaling for up to 32 GPUs interconnected by InfiniBand, on which we sustain in excess of 4 Tflops.Comment: 11 pages, 7 figures, to appear in the Proceedings of Supercomputing 2010 (submitted April 12, 2010

PyCUDA and PyOpenCL: A Scripting-Based Approach to GPU Run-Time Code Generation

High-performance computing has recently seen a surge of interest in heterogeneous systems, with an emphasis on modern Graphics Processing Units (GPUs). These devices offer tremendous potential for performance and efficiency in important large-scale applications of computational science. However, exploiting this potential can be challenging, as one must adapt to the specialized and rapidly evolving computing environment currently exhibited by GPUs. One way of addressing this challenge is to embrace better techniques and develop tools tailored to their needs. This article presents one simple technique, GPU run-time code generation (RTCG), along with PyCUDA and PyOpenCL, two open-source toolkits that support this technique. In introducing PyCUDA and PyOpenCL, this article proposes the combination of a dynamic, high-level scripting language with the massive performance of a GPU as a compelling two-tiered computing platform, potentially offering significant performance and productivity advantages over conventional single-tier, static systems. The concept of RTCG is simple and easily implemented using existing, robust infrastructure. Nonetheless it is powerful enough to support (and encourage) the creation of custom application-specific tools by its users. The premise of the paper is illustrated by a wide range of examples where the technique has been applied with considerable success.Comment: Submitted to Parallel Computing, Elsevie

A Hybrid Partially Reconfigurable Overlay Supporting Just-In-Time Assembly of Custom Accelerators on FPGAs

The state of the art in design and development flows for FPGAs are not sufficiently mature to allow programmers to implement their applications through traditional software development flows. The stipulation of synthesis as well as the requirement of background knowledge on the FPGAs\u27 low-level physical hardware structure are major challenges that prevent programmers from using FPGAs. The reconfigurable computing community is seeking solutions to raise the level of design abstraction at which programmers must operate, and move the synthesis process out of the programmers\u27 path through the use of overlays. A recent approach, Just-In-Time Assembly (JITA), was proposed that enables hardware accelerators to be assembled at runtime, all from within a traditional software compilation flow. The JITA approach presents a promising path to constructing hardware designs on FPGAs using pre-synthesized parallel programming patterns, but suffers from two major limitations. First, all variant programming patterns must be pre-synthesized. Second, conditional operations are not supported. In this thesis, I present a new reconfigurable overlay, URUK, that overcomes the two limitations imposed by the JITA approach. Similar to the original JITA approach, the proposed URUK overlay allows hardware accelerators to be constructed on FPGAs through software compilation flows. To this basic capability, URUK adds additional support to enable the assembly of presynthesized fine-grained computational operators to be assembled within the FPGA. This thesis provides analysis of URUK from three different perspectives; utilization, performance, and productivity. The analysis includes comparisons against High-Level Synthesis (HLS) and the state of the art approach to creating static overlays. The tradeoffs conclude that URUK can achieve approximately equivalent performance for algebra operations compared to HLS custom accelerators, which are designed with simple experience on FPGAs. Further, URUK shows a high degree of flexibility for runtime placement and routing of the primitive operations. The analysis shows how this flexibility can be leveraged to reduce communication overhead among tiles, compared to traditional static overlays. The results also show URUK can enable software programmers without any hardware skills to create hardware accelerators at productivity levels consistent with software development and compilation

Computational methods and software systems for dynamics and control of large space structures

Two key areas of crucial importance to the computer-based simulation of large space structures are discussed. The first area involves multibody dynamics (MBD) of flexible space structures, with applications directed to deployment, construction, and maneuvering. The second area deals with advanced software systems, with emphasis on parallel processing. The latest research thrust in the second area involves massively parallel computers