Automatic skeleton-driven performance optimizations for transactional memory

The recent shift toward multi -core chips has pushed the burden of extracting performance to the programmer. In fact, programmers now have to be able to uncover more coarse -grain parallelism with every new generation of processors, or the performance of their applications will remain roughly the same or even degrade. Unfortunately, parallel programming is still hard and error prone. This has driven the development of many new parallel programming models that aim to make this process efficient.This thesis first combines the skeleton -based and transactional memory programming models in a new framework, called OpenSkel, in order to improve performance and programmability of parallel applications. This framework provides a single skeleton that allows the implementation of transactional worklist applications. Skeleton or pattern-based programming allows parallel programs to be expressed as specialized instances of generic communication and computation patterns. This leaves the programmer with only the implementation of the particular operations required to solve the problem at hand. Thus, this programming approach simplifies parallel programming by eliminating some of the major challenges of parallel programming, namely thread communication, scheduling and orchestration. However, the application programmer has still to correctly synchronize threads on data races. This commonly requires the use of locks to guarantee atomic access to shared data. In particular, lock programming is vulnerable to deadlocks and also limits coarse grain parallelism by blocking threads that could be potentially executed in parallel.Transactional Memory (TM) thus emerges as an attractive alternative model to simplify parallel programming by removing this burden of handling data races explicitly. This model allows programmers to write parallel code as transactions, which are then guaranteed by the runtime system to execute atomically and in isolation regardless of eventual data races. TM programming thus frees the application from deadlocks and enables the exploitation of coarse grain parallelism when transactions do not conflict very often. Nevertheless, thread management and orchestration are left for the application programmer. Fortunately, this can be naturally handled by a skeleton framework. This fact makes the combination of skeleton -based and transactional programming a natural step to improve programmability since these models complement each other. In fact, this combination releases the application programmer from dealing with thread management and data races, and also inherits the performance improvements of both models. In addition to it, a skeleton framework is also amenable to skeleton - driven iii performance optimizations that exploits the application pattern and system information.This thesis thus also presents a set of pattern- oriented optimizations that are automatically selected and applied in a significant subset of transactional memory applications that shares a common pattern called worklist. These optimizations exploit the knowledge about the worklist pattern and the TM nature of the applications to avoid transaction conflicts, to prefetch data, to reduce contention etc. Using a novel autotuning mechanism, OpenSkel dynamically selects the most suitable set of these patternoriented performance optimizations for each application and adjusts them accordingly. Experimental results on a subset of five applications from the STAMP benchmark suite show that the proposed autotuning mechanism can achieve performance improvements within 2 %, on average, of a static oracle for a 16 -core UMA (Uniform Memory Access) platform and surpasses it by 7% on average for a 32 -core NUMA (Non -Uniform Memory Access) platform.Finally, this thesis also investigates skeleton -driven system- oriented performance optimizations such as thread mapping and memory page allocation. In order to do it, the OpenSkel system and also the autotuning mechanism are extended to accommodate these optimizations. The conducted experimental results on a subset of five applications from the STAMP benchmark show that the OpenSkel framework with the extended autotuning mechanism driving both pattern and system- oriented optimizations can achieve performance improvements of up to 88 %, with an average of 46 %, over a baseline version for a 16 -core UMA platform and up to 162 %, with an average of 91 %, for a 32 -core NUMA platform

An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel Xeon Phi processor

Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that differ by the sharing or replication of key data structures among threads are considered, density and Fock matrices. All implementations are benchmarked on a super-computer of 3,000 Intel Xeon Phi processors. With 64 cores per processor, scaling numbers are reported on up to 192,000 cores. The hybrid MPI/OpenMP implementation reduces the memory footprint by approximately 200 times compared to the legacy code. The MPI/OpenMP code was shown to run up to six times faster than the original for a range of molecular system sizes.Comment: SC17 conference paper, 12 pages, 7 figure

The fast multipole method at exascale

This thesis presents a top to bottom analysis on designing and implementing fast algorithms for current and future systems. We present new analysis, algorithmic techniques, and implementations of the Fast Multipole Method (FMM) for solving N- body problems. We target the FMM because it is broadly applicable to a variety of scientific particle simulations used to study electromagnetic, fluid, and gravitational phenomena, among others. Importantly, the FMM has asymptotically optimal time complexity with guaranteed approximation accuracy. As such, it is among the most attractive solutions for scalable particle simulation on future extreme scale systems. We specifically address two key challenges. The first challenge is how to engineer fast code for today’s platforms. We present the first in-depth study of multicore op- timizations and tuning for FMM, along with a systematic approach for transforming a conventionally-parallelized FMM into a highly-tuned one. We introduce novel opti- mizations that significantly improve the within-node scalability of the FMM, thereby enabling high-performance in the face of multicore and manycore systems. The second challenge is how to understand scalability on future systems. We present a new algorithmic complexity analysis of the FMM that considers both intra- and inter- node communication costs. Using these models, we present results for choosing the optimal algorithmic tuning parameter. This analysis also yields the surprising prediction that although the FMM is largely compute-bound today, and therefore highly scalable on current systems, the trajectory of processor architecture designs, if there are no significant changes could cause it to become communication-bound as early as the year 2015. This prediction suggests the utility of our analysis approach, which directly relates algorithmic and architectural characteristics, for enabling a new kind of highlevel algorithm-architecture co-design. To demonstrate the scientific significance of FMM, we present two applications namely, direct simulation of blood which is a multi-scale multi-physics problem and large-scale biomolecular electrostatics. MoBo (Moving Boundaries) is the infrastruc- ture for the direct numerical simulation of blood. It comprises of two key algorithmic components of which FMM is one. We were able to simulate blood flow using Stoke- sian dynamics on 200,000 cores of Jaguar, a peta-flop system and achieve a sustained performance of 0.7 Petaflop/s. The second application we propose as future work in this thesis is biomolecular electrostatics where we solve for the electrical potential using the boundary-integral formulation discretized with boundary element methods (BEM). The computational kernel in solving the large linear system is dense matrix vector multiply which we propose can be calculated using our scalable FMM. We propose to begin with the two dielectric problem where the electrostatic field is cal- culated using two continuum dielectric medium, the solvent and the molecule. This is only a first step to solving biologically challenging problems which have more than two dielectric medium, ion-exclusion layers, and solvent filled cavities. Finally, given the difficulty in producing high-performance scalable code, productivity is a key concern. Recently, numerical algorithms are being redesigned to take advantage of the architectural features of emerging multicore processors. These new classes of algorithms express fine-grained asynchronous parallelism and hence reduce the cost of synchronization. We performed the first extensive performance study of a recently proposed parallel programming model, called Concurrent Collections (CnC). In CnC, the programmer expresses her computation in terms of application-specific operations, partially-ordered by semantic scheduling constraints. The CnC model is well-suited to expressing asynchronous-parallel algorithms, so we evaluate CnC using two dense linear algebra algorithms in this style for execution on state-of-the-art mul- ticore systems. Our implementations in CnC was able to match and in some cases even exceed competing vendor-tuned and domain specific library codes. We combine these two distinct research efforts by expressing FMM in CnC, our approach tries to marry performance with productivity that will be critical on future systems. Looking forward, we would like to extend this to distributed memory machines, specifically implement FMM in the new distributed CnC, distCnC to express fine-grained paral- lelism which would require significant effort in alternative models.Ph.D