OP2-Clang : a source-to-source translator using Clang/LLVM LibTooling

Domain Specific Languages or Active Library frameworks have recently emerged as an important method for gaining performance portability, where an application can be efficiently executed on a wide range of HPC architectures without significant manual modifications. Embedded DSLs such as OP2, provides an API embedded in general purpose languages such as C/C++/Fortran. They rely on source-to-source translation and code refactorization to translate the higher-level API calls to platform specific parallel implementations. OP2 targets the solution of unstructured-mesh computations, where it can generate a variety of parallel implementations for execution on architectures such as CPUs, GPUs, distributed memory clusters and heterogeneous processors making use of a wide range of platform specific optimizations. Compiler tool-chains supporting source-to-source translation of code written in mainstream languages currently lack the capabilities to carry out such wide-ranging code transformations. Clang/LLVM’s Tooling library (LibTooling) has long been touted as having such capabilities but have only demonstrated its use in simple source refactoring tasks. In this paper we introduce OP2-Clang, a source-to-source translator based on LibTooling, for OP2’s C/C++ API, capable of generating target parallel code based on SIMD, OpenMP, CUDA and their combinations with MPI. OP2-Clang is designed to significantly reduce maintenance, particularly making it easy to be extended to generate new parallelizations and optimizations for hardware platforms. In this research, we demonstrate its capabilities including (1) the use of LibTooling’s AST matchers together with a simple strategy that use parallelization templates or skeletons to significantly reduce the complexity of generating radically different and transformed target code and (2) chart the challenges and solution to generating optimized parallelizations for OpenMP, SIMD and CUDA. Results indicate that OP2-Clang produces near-identical parallel code to that of OP2’s current source-to-source translator. We believe that the lessons learnt in OP2-Clang can be readily applied to developing other similar source-to-source translators, particularly for DSLs

OP2-Clang : a source-to-source translator using Clang/LLVM LibTooling

Domain Specific Languages or Active Library frameworks have recently emerged as an important method for gaining performance portability, where an application can be efficiently executed on a wide range of HPC architectures without significant manual modifications. Embedded DSLs such as OP2, provides an API embedded in general purpose languages such as C/C++/Fortran. They rely on source-to-source translation and code refactorization to translate the higher-level API calls to platform specific parallel implementations. OP2 targets the solution of unstructured-mesh computations, where it can generate a variety of parallel implementations for execution on architectures such as CPUs, GPUs, distributed memory clusters and heterogeneous processors making use of a wide range of platform specific optimizations. Compiler tool-chains supporting source-to-source translation of code written in mainstream languages currently lack the capabilities to carry out such wide-ranging code transformations. Clang/LLVM’s Tooling library (LibTooling) has long been touted as having such capabilities but have only demonstrated its use in simple source refactoring tasks. In this paper we introduce OP2-Clang, a source-to-source translator based on LibTooling, for OP2’s C/C++ API, capable of generating target parallel code based on SIMD, OpenMP, CUDA and their combinations with MPI. OP2-Clang is designed to significantly reduce maintenance, particularly making it easy to be extended to generate new parallelizations and optimizations for hardware platforms. In this research, we demonstrate its capabilities including (1) the use of LibTooling’s AST matchers together with a simple strategy that use parallelization templates or skeletons to significantly reduce the complexity of generating radically different and transformed target code and (2) chart the challenges and solution to generating optimized parallelizations for OpenMP, SIMD and CUDA. Results indicate that OP2-Clang produces near-identical parallel code to that of OP2’s current source-to-source translator. We believe that the lessons learnt in OP2-Clang can be readily applied to developing other similar source-to-source translators, particularly for DSLs

Improving resilience of scientific software through a domain-specific approach

In this paper we present research on improving the resilience of the execution of scientific software, an increasingly important concern in High Performance Computing (HPC). We build on an existing high-level abstraction framework, the Oxford Parallel library for Structured meshes (OPS), developed for the solution of multi-block structured mesh-based applications, and implement an algorithm in the library to carry out checkpointing automatically, without the intervention of the user. The target applications are a hydrodynamics benchmark application from the Mantevo Suite, CloverLeaf 3D, the sparse linear solver proxy application TeaLeaf, and the OpenSBLI compressible Navier–Stokes direct numerical simulation (DNS) solver. We present (1) the basic algorithm that OPS relies on to determine the optimal checkpoint in terms of size and location, (2) improvements that supply additional information to improve the decision, (3) techniques that reduce the cost of writing the checkpoints to non-volatile storage, (4) a performance analysis of the developed techniques on a single workstation and on several supercomputers, including ORNL’s Titan. Our results demonstrate the utility of the high-level abstractions approach in automating the checkpointing process and show that performance is comparable to, or better than the reference in all cases

FPGA acceleration of structured-mesh-based explicit and implicit numerical solvers using SYCL

We explore the design and development of structured-mesh based solvers on current Intel FPGA hardware using the SYCL programming model. Two classes of applications are targeted : (1) stencil applications based on explicit numerical methods and (2) multidimensional tridiagonal solvers based on implicit methods. Both classes of solvers appear as core modules in a wide-range of realworld applications ranging from CFD to financial computing. A general, unified workflow is formulated for synthesizing them on Intel FPGAs together with predictive analytic models to explore the design space to obtain near-optimal performance. Performance of synthesized designs, using the above techniques, for two non-trivial applications on an Intel PAC D5005 FPGA card is benchmarked. Results are compared to performance of optimized parallel implementations of the same applications on a Nvidia V100 GPU. Observed runtime results indicate the FPGA providing better or matching performance to the V100 GPU. However, more importantly the FPGA solutions provide 59%-76% less energy consumption for their largest configurations, making them highly attractive for solving workloads based on these applications in production settings. The performance model predicts the runtime of designs with high accuracy with less than 5% error for all cases tested, demonstrating their significant utility for design space explorations. With these tools and techniques, we discuss determinants for a given structuredmesh code to be amenable to FPGA implementation, providing insights into the feasibility and profitability of a design, how they can be codified using SYCL and the resulting performance

Locality optimized unstructured mesh algorithms on GPUs

Unstructured-mesh based numerical algorithms such as finite volume and finite element algorithms form an important class of applications for many scientific and engineering domains. The key difficulty in achieving higher performance from these applications is the indirect accesses that lead to data-races when parallelized. Current methods for handling such data-races lead to reduced parallelism and suboptimal performance. Particularly on modern many-core architectures, such as GPUs, that has increasing core/thread counts, reducing data movement and exploiting memory locality is vital for gaining good performance. In this work we present novel locality-exploiting optimizations for the efficient execution of unstructured-mesh algorithms on GPUs. Building on a two-layered coloring strategy for handling data races, we introduce novel reordering and partitioning techniques to further improve efficient execution. The new optimizations are then applied to several well established unstructured-mesh applications, investigating their performance on NVIDIA’s latest P100 and V100 GPUs. We demonstrate significant speedups (1.1–1.75×) compared to the state-of-the-art. A range of performance metrics are benchmarked including runtime, memory transactions, achieved bandwidth performance, GPU occupancy and data reuse factors and are used to understand and explain the key factors impacting performance. The optimized algorithms are implemented as an open-source software library and we illustrate its use for improving performance of existing or new unstructured-mesh applications

Large-scale performance of a DSL-based multi-block structured-mesh application for Direct Numerical Simulation

SBLI (Shock-wave/Boundary-layer Interaction) is a large-scale Computational Fluid Dynamics (CFD) application, developed over 20 years at the University of Southampton and extensively used within the UK Turbulence Consortium. It is capable of performing Direct Numerical Simulations (DNS) or Large Eddy Simulation (LES) of shock-wave/boundary-layer interaction problems over highly detailed multi-block structured mesh geometries. SBLI presents major challenges in data organization and movement that need to be overcome for continued high performance on emerging massively parallel hardware platforms. In this paper we present research in achieving this goal through the OPS embedded domain-specific language. OPS targets the domain of multi-block structured mesh applications. It provides an API embedded in C/C++ and Fortran and makes use of automatic code generation and compilation to produce executables capable of running on a range of parallel hardware systems. The core functionality of SBLI is captured using a new framework called OpenSBLI which enables a developer to declare the partial differential equations using Einstein notation and then automatically carryout discretization and generation of OPS (C/C++) API code. OPS is then used to automatically generate a wide range of parallel implementations. Using this multi-layered abstractions approach we demonstrate how new opportunities for further optimizations can be gained, such as fine-tuning the computation intensity and reducing data movement and apply them automatically. Performance results demonstrate there is no performance loss due to the high-level development strategy with OPS and OpenSBLI, with performance matching or exceeding the hand-tuned original code on all CPU nodes tested. The data movement optimizations provide over 3× speedups on CPU nodes, while GPUs provide 5× speedups over the best performing CPU node. The OPS generated parallel code also demonstrates excellent scalability on nearly 100K cores on a Cray XC30 (ARCHER at EPCC) and on over 4K GPUs on a CrayXK7 (Titan at ORNL)

The VOLNA-OP2 tsunami code (version 1.5)

In this paper, we present the VOLNA-OP2 tsunami model and implementation; a finite-volume non-linear shallow-water equation (NSWE) solver built on the OP2 domain-specific language (DSL) for unstructured mesh computations. VOLNA-OP2 is unique among tsunami solvers in its support for several high-performance computing platforms: central processing units (CPUs), the Intel Xeon Phi, and graphics processing units (GPUs). This is achieved in a way that the scientific code is kept separate from various parallel implementations, enabling easy maintainability. It has already been used in production for several years; here we discuss how it can be integrated into various workflows, such as a statistical emulator. The scalability of the code is demonstrated on three supercomputers, built with classical Xeon CPUs, the Intel Xeon Phi, and NVIDIA P100 GPUs. VOLNA-OP2 shows an ability to deliver productivity as well as performance and portability to its users across a number of platforms.</p

Trees on networks: resolving statistical patterns of phylogenetic similarities among interacting proteins

<p>Abstract</p> <p>Background</p> <p>Phylogenies capture the evolutionary ancestry linking extant species. Correlations and similarities among a set of species are mediated by and need to be understood in terms of the phylogenic tree. In a similar way it has been argued that biological networks also induce correlations among sets of interacting genes or their protein products.</p> <p>Results</p> <p>We develop suitable statistical resampling schemes that can incorporate these two potential sources of correlation into a single inferential framework. To illustrate our approach we apply it to protein interaction data in yeast and investigate whether the phylogenetic trees of interacting proteins in a panel of yeast species are more similar than would be expected by chance.</p> <p>Conclusions</p> <p>While we find only negligible evidence for such increased levels of similarities, our statistical approach allows us to resolve the previously reported contradictory results on the levels of co-evolution induced by protein-protein interactions. We conclude with a discussion as to how we may employ the statistical framework developed here in further functional and evolutionary analyses of biological networks and systems.</p