From Physics Model to Results: An Optimizing Framework for Cross-Architecture Code Generation

Starting from a high-level problem description in terms of partial differential equations using abstract tensor notation, the Chemora framework discretizes, optimizes, and generates complete high performance codes for a wide range of compute architectures. Chemora extends the capabilities of Cactus, facilitating the usage of large-scale CPU/GPU systems in an efficient manner for complex applications, without low-level code tuning. Chemora achieves parallelism through MPI and multi-threading, combining OpenMP and CUDA. Optimizations include high-level code transformations, efficient loop traversal strategies, dynamically selected data and instruction cache usage strategies, and JIT compilation of GPU code tailored to the problem characteristics. The discretization is based on higher-order finite differences on multi-block domains. Chemora's capabilities are demonstrated by simulations of black hole collisions. This problem provides an acid test of the framework, as the Einstein equations contain hundreds of variables and thousands of terms.Comment: 18 pages, 4 figures, accepted for publication in Scientific Programmin

Simulation of reaction diffusion processes over biologically relevant size and time scales using multi-GPU workstations

AbstractSimulation of in vivo cellular processes with the reaction–diffusion master equation (RDME) is a computationally expensive task. Our previous software enabled simulation of inhomogeneous biochemical systems for small bacteria over long time scales using the MPD-RDME method on a single GPU. Simulations of larger eukaryotic systems exceed the on-board memory capacity of individual GPUs, and long time simulations of modest-sized cells such as yeast are impractical on a single GPU. We present a new multi-GPU parallel implementation of the MPD-RDME method based on a spatial decomposition approach that supports dynamic load balancing for workstations containing GPUs of varying performance and memory capacity. We take advantage of high-performance features of CUDA for peer-to-peer GPU memory transfers and evaluate the performance of our algorithms on state-of-the-art GPU devices. We present parallel efficiency and performance results for simulations using multiple GPUs as system size, particle counts, and number of reactions grow. We also demonstrate multi-GPU performance in simulations of the Min protein system in E. coli. Moreover, our multi-GPU decomposition and load balancing approach can be generalized to other lattice-based problems

CaKernel – A Parallel Application Programming Framework for Heterogenous Computing Architectures

With the recent advent of new heterogeneous computing architectures there is still a lack of parallel problem solving environments that can help scientists to use easily and efficiently hybrid supercomputers. Many scientific simulations that use structured grids to solve partial differential equations in fact rely on stencil computations. Stencil computations have become crucial in solving many challenging problems in various domains, e.g., engineering or physics. Although many parallel stencil computing approaches have been proposed, in most cases they solve only particular problems. As a result, scientists are struggling when it comes to the subject of implementing a new stencil-based simulation, especially on high performance hybrid supercomputers. In response to the presented need we extend our previous work on a parallel programming framework for CUDA – CaCUDA that now supports OpenCL. We present CaKernel – a tool that simplifies the development of parallel scientific applications on hybrid systems. CaKernel is built on the highly scalable and portable Cactus framework. In the CaKernel framework, Cactus manages the inter-process communication via MPI while CaKernel manages the code running on Graphics Processing Units (GPUs) and interactions between them. As a non-trivial test case we have developed a 3D CFD code to demonstrate the performance and scalability of the automatically generated code