相关论文: KinetiX: A performance portable code generator for…
Efficient ordinary differential equation solvers for chemical kinetics must take into account the available thread and instruction-level parallelism of the underlying hardware, especially on many-core coprocessors, as well as the numerical…
Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…
A one-step, a two-step, an abridged, a skeletal and four detailed kinetic schemes of hydrogen oxidation have been tested. A new skeletal kinetic scheme of hydrogen oxidation has been developed. The CFD calculations were carried out using…
Automated code generation can systematically exceed expert hand-optimization for recurrence relations-computational primitives ubiquitous in orthogonal polynomials, special functions, numerical integration, and molecular integral…
High-performance GPU kernels are critical to modern machine learning systems, yet developing efficient implementations remains a challenging, expert-driven process due to the tight coupling between algorithmic structure, memory hierarchy…
The cost of combustion simulations is often dominated by the evaluation of net production rates of chemical species and mixture thermodynamics (thermochemistry). Execution on computing accelerators (XPUs) like graphic processing units…
With the advent of high-performance computing techniques, the data for analysis has grown significantly. Here, graphic processing unit (GPU) based program kernels are discussed to exploit parallelism in the analysis codes specific to…
Automatic code generation is frequently used to create implementations of algorithms specifically tuned to particular hardware and application parameters. The code generation process involves the selection of adequate code transformations,…
The prediction of material properties through electronic-structure simulations based on density-functional theory has become routinely common, thanks, in part, to the steady increase in the number and robustness of available simulation…
The constrained nature of synthesizable chemical space poses a significant challenge for sampling molecules that are both synthetically accessible and possess desired properties. In this work, we present PrexSyn, an efficient and…
This paper introduces a code generator designed for node-level optimized, extreme-scalable, matrix-free finite element operators on hybrid tetrahedral grids. It optimizes the local evaluation of bilinear forms through various techniques…
Combustion kinetic modeling is an integral part of combustion simulation, and extensive studies have been devoted to developing both high fidelity and computationally affordable models. Despite these efforts, modeling combustion kinetics is…
The prohibitive expense of automatic performance tuning at scale has largely limited the use of autotuning to libraries for shared-memory and GPU architectures. We introduce a framework for approximate autotuning that achieves a desired…
Developing an efficient method to accelerate the speed of molecular dynamics is a central theme in the field of molecular simulation. One category among the methods are collective-variable-based methods, which rely on predefined collective…
In recent years, the prospects of performing fundamental and applied studies at the next-generation high-intensity laser facilities have greatly stimulated the interest in performing large-scale simulations of laser interaction with matter…
Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. Here we consider methods to make proposed chemical simulation algorithms computationally…
Our toolchain for accelerating application called Courier-FPGA, is designed for utilize the processing power of CPU-FPGA platforms for software programmers and non-expert users. It automatically gathers runtime information of library…
We present an algorithmic method for the quantitative, performance-aware synthesis of concurrent programs. The input consists of a nondeterministic partial program and of a parametric performance model. The nondeterminism allows the…
With the emergence of new high-performance computing (HPC) accelerators, such as Nvidia and AMD GPUs, efficiently targeting diverse hardware architectures has become a major challenge for HPC application developers. The increasing hardware…
We have developed several autotuning benchmarks in CUDA that take into account performance-relevant source-code parameters and reach near peak-performance on various GPU architectures. We have used them during the development and evaluation…