Accelerated Modeling of Near and Far-Field Diffraction for Coronagraphic Optical Systems

Accurately predicting the performance of coronagraphs and tolerancing optical surfaces for high-contrast imaging requires a detailed accounting of diffraction effects. Unlike simple Fraunhofer diffraction modeling, near and far-field diffraction effects, such as the Talbot effect, are captured by plane-to-plane propagation using Fresnel and angular spectrum propagation. This approach requires a sequence of computationally intensive Fourier transforms and quadratic phase functions, which limit the design and aberration sensitivity parameter space which can be explored at high-fidelity in the course of coronagraph design. This study presents the results of optimizing the multi-surface propagation module of the open source Physical Optics Propagation in PYthon (POPPY) package. This optimization was performed by implementing and benchmarking Fourier transforms and array operations on graphics processing units, as well as optimizing multithreaded numerical calculations using the NumExpr python library where appropriate, to speed the end-to-end simulation of observatory and coronagraph optical systems. Using realistic systems, this study demonstrates a greater than five-fold decrease in wall-clock runtime over POPPY's previous implementation and describes opportunities for further improvements in diffraction modeling performance.Comment: Presented at SPIE ASTI 2018, Austin Texas. 11 pages, 6 figure

Computational Physics on Graphics Processing Units

The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing on classical molecular dynamics, and on quantum simulations for electronic structure calculations using the density functional theory, wave function techniques, and quantum field theory.Comment: Proceedings of the 11th International Conference, PARA 2012, Helsinki, Finland, June 10-13, 201

Porting the Sisal functional language to distributed-memory multiprocessors

Parallel computing is becoming increasingly ubiquitous in recent years. The sizes of application problems continuously increase for solving real-world problems. Distributed-memory multiprocessors have been regarded as a viable architecture of scalable and economical design for building large scale parallel machines. While these parallel machines can provide computational capabilities, programming such large-scale machines is often very difficult due to many practical issues including parallelization, data distribution, workload distribution, and remote memory latency. This thesis proposes to solve the programmability and performance issues of distributed-memory machines using the Sisal functional language. The programs written in Sisal will be automatically parallelized, scheduled and run on distributed-memory multiprocessors with no programmer intervention. Specifically, the proposed approach consists of the following steps. Given a program written in Sisal, the front end Sisal compiler generates a directed acyclic graph(DAG) to expose parallelism in the program. The DAG is partitioned and scheduled based on loop parallelism. The scheduled DAG is then translated to C programs with machine specific parallel constructs. The parallel C programs are finally compiled by the target machine specific compilers to generate executables. A distributed-memory parallel machine, the 80-processor ETL EM-X, has been chosen to perform experiments. The entire procedure has been implemented on the EMX multiprocessor. Four problems are selected for experiments: bitonic sorting, search, dot-product and Fast Fourier Transform. Preliminary execution results indicate that automatic parallelization of the Sisal programs based on loop parallelism is effective. The speedup for these four problems is ranging from 17 to 60 on a 64-processor EM-X. Preliminary experimental results further indicate that programming distributed-memory multiprocessors using a functional language indeed frees the programmers from lowl-evel programming details while allowing them to focus on algorithmic performance improvement

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

An Adaptive Design Methodology for Reduction of Product Development Risk

Embedded systems interaction with environment inherently complicates understanding of requirements and their correct implementation. However, product uncertainty is highest during early stages of development. Design verification is an essential step in the development of any system, especially for Embedded System. This paper introduces a novel adaptive design methodology, which incorporates step-wise prototyping and verification. With each adaptive step product-realization level is enhanced while decreasing the level of product uncertainty, thereby reducing the overall costs. The back-bone of this frame-work is the development of Domain Specific Operational (DOP) Model and the associated Verification Instrumentation for Test and Evaluation, developed based on the DOP model. Together they generate functionally valid test-sequence for carrying out prototype evaluation. With the help of a case study 'Multimode Detection Subsystem' the application of this method is sketched. The design methodologies can be compared by defining and computing a generic performance criterion like Average design-cycle Risk. For the case study, by computing Average design-cycle Risk, it is shown that the adaptive method reduces the product development risk for a small increase in the total design cycle time.Comment: 21 pages, 9 figure