C Language Extensions for Hybrid CPU/GPU Programming with StarPU

Modern platforms used for high-performance computing (HPC) include machines with both general-purpose CPUs, and "accelerators", often in the form of graphical processing units (GPUs). StarPU is a C library to exploit such platforms. It provides users with ways to define "tasks" to be executed on CPUs or GPUs, along with the dependencies among them, and by automatically scheduling them over all the available processing units. In doing so, it also relieves programmers from the need to know the underlying architecture details: it adapts to the available CPUs and GPUs, and automatically transfers data between main memory and GPUs as needed. While StarPU's approach is successful at addressing run-time scheduling issues, being a C library makes for a poor and error-prone programming interface. This paper presents an effort started in 2011 to promote some of the concepts exported by the library as C language constructs, by means of an extension of the GCC compiler suite. Our main contribution is the design and implementation of language extensions that map to StarPU's task programming paradigm. We argue that the proposed extensions make it easier to get started with StarPU,eliminate errors that can occur when using the C library, and help diagnose possible mistakes. We conclude on future work

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

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

GHOST: Building blocks for high performance sparse linear algebra on heterogeneous systems

While many of the architectural details of future exascale-class high performance computer systems are still a matter of intense research, there appears to be a general consensus that they will be strongly heterogeneous, featuring "standard" as well as "accelerated" resources. Today, such resources are available as multicore processors, graphics processing units (GPUs), and other accelerators such as the Intel Xeon Phi. Any software infrastructure that claims usefulness for such environments must be able to meet their inherent challenges: massive multi-level parallelism, topology, asynchronicity, and abstraction. The "General, Hybrid, and Optimized Sparse Toolkit" (GHOST) is a collection of building blocks that targets algorithms dealing with sparse matrix representations on current and future large-scale systems. It implements the "MPI+X" paradigm, has a pure C interface, and provides hybrid-parallel numerical kernels, intelligent resource management, and truly heterogeneous parallelism for multicore CPUs, Nvidia GPUs, and the Intel Xeon Phi. We describe the details of its design with respect to the challenges posed by modern heterogeneous supercomputers and recent algorithmic developments. Implementation details which are indispensable for achieving high efficiency are pointed out and their necessity is justified by performance measurements or predictions based on performance models. The library code and several applications are available as open source. We also provide instructions on how to make use of GHOST in existing software packages, together with a case study which demonstrates the applicability and performance of GHOST as a component within a larger software stack.Comment: 32 pages, 11 figure

An Infrastructure for the Analysis of Communication Patterns in Virtual Topologies

The virtual topology of a parallel application is the neighborhood relationship between communicating processes developed due to specific communication patterns resulting from domain decomposition. We present an infrastructure that allows the usage of topological information for the performance analysis of a parallel application. For this purpose we have implemented an easy to use extension of the KOJAK performance analysis toolkit. The KOJAK toolkit defines communication patterns for parallel applications which describe inefficient behavior. The performance analysis is carried out by calculating the effect of these inefficiency patterns on the application\u27s performance. The distribution of these inefficiency patterns is studied across a three-dimensional performance space. The knowledge of virtual topology can be exploited to explain the occurrence of these inefficiency patterns in terms of higher-level events related to the parallel algorithm implemented in the application. Also, it can be used to visualize the relationships between pattern occurrences and the topological characteristics of the affected processes, To prove these principles, we have used our extensions to KOJAK to analyze two realistic MPI applications