A Comparison of some recent Task-based Parallel Programming Models

The need for parallel programming models that are simple to use and at the same time efficient for current ant future parallel platforms has led to recent attention to task-based models such as Cilk++, Intel TBB and the task concept in OpenMP version 3.0. The choice of model and implementation can have a major impact on the final performance and in order to understand some of the trade-offs we have made a quantitative study comparing four implementations of OpenMP (gcc, Intel icc, Sun studio and the research compiler Mercurium/nanos mcc), Cilk++ and Wool, a high-performance task-based library developed at SICS. Abstract. We use microbenchmarks to characterize costs for task-creation and stealing and the Barcelona OpenMP Tasks Suite for characterizing application performance. By far Wool and Cilk++ have the lowest overhead in both spawning and stealing tasks. This is reflected in application performance when many tasks with small granularity are spawned where Cilk++ and, in particular, has the highest performance. For coarse granularity applications, the OpenMP implementations have quite similar performance as the more light-weight Cilk++ and Wool except for one application where mcc is superior thanks to a superior task scheduler. Abstract. The OpenMP implemenations are generally not yet ready for use when the task granularity becomes very small. There is no inherent reason for this, so we expect future implementations of OpenMP to focus on this issue

Efficient Implementations of Molecular Dynamics Simulations for Lennard-Jones Systems

Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also explained. A simple spatial-decomposition-based strategy is adopted for parallelization. By utilizing the developed code, benchmark simulations are performed on a HITACHI SR16000/J2 system consisting of IBM POWER6 processors which are 4.7 GHz at the National Institute for Fusion Science (NIFS) and an SGI Altix ICE 8400EX system consisting of Intel Xeon processors which are 2.93 GHz at the Institute for Solid State Physics (ISSP), the University of Tokyo. The parallelization efficiency of the largest run, consisting of 4.1 billion particles with 8192 MPI processes, is about 73% relative to that of the smallest run with 128 MPI processes at NIFS, and it is about 66% relative to that of the smallest run with 4 MPI processes at ISSP. The factors causing the parallel overhead are investigated. It is found that fluctuations of the execution time of each process degrade the parallel efficiency. These fluctuations may be due to the interference of the operating system, which is known as OS Jitter.Comment: 33 pages, 19 figures, add references and figures are revise

Multi-Architecture Monte-Carlo (MC) Simulation of Soft Coarse-Grained Polymeric Materials: SOft coarse grained Monte-carlo Acceleration (SOMA)

Multi-component polymer systems are important for the development of new materials because of their ability to phase-separate or self-assemble into nano-structures. The Single-Chain-in-Mean-Field (SCMF) algorithm in conjunction with a soft, coarse-grained polymer model is an established technique to investigate these soft-matter systems. Here we present an im- plementation of this method: SOft coarse grained Monte-carlo Accelera- tion (SOMA). It is suitable to simulate large system sizes with up to billions of particles, yet versatile enough to study properties of different kinds of molecular architectures and interactions. We achieve efficiency of the simulations commissioning accelerators like GPUs on both workstations as well as supercomputers. The implementa- tion remains flexible and maintainable because of the implementation of the scientific programming language enhanced by OpenACC pragmas for the accelerators. We present implementation details and features of the program package, investigate the scalability of our implementation SOMA, and discuss two applications, which cover system sizes that are difficult to reach with other, common particle-based simulation methods

Stepping Stones to Inductive Synthesis of Low-Level Looping Programs

Inductive program synthesis, from input/output examples, can provide an opportunity to automatically create programs from scratch without presupposing the algorithmic form of the solution. For induction of general programs with loops (as opposed to loop-free programs, or synthesis for domain-specific languages), the state of the art is at the level of introductory programming assignments. Most problems that require algorithmic subtlety, such as fast sorting, have remained out of reach without the benefit of significant problem-specific background knowledge. A key challenge is to identify cues that are available to guide search towards correct looping programs. We present MAKESPEARE, a simple delayed-acceptance hillclimbing method that synthesizes low-level looping programs from input/output examples. During search, delayed acceptance bypasses small gains to identify significantly-improved stepping stone programs that tend to generalize and enable further progress. The method performs well on a set of established benchmarks, and succeeds on the previously unsolved "Collatz Numbers" program synthesis problem. Additional benchmarks include the problem of rapidly sorting integer arrays, in which we observe the emergence of comb sort (a Shell sort variant that is empirically fast). MAKESPEARE has also synthesized a record-setting program on one of the puzzles from the TIS-100 assembly language programming game.Comment: AAAI 201