Related papers: Performance Analysis Cluster and GPU Computing Env…
Particle accelerator modeling is an important field of research and development, essential to investigating, designing and operating some of the most complex scientific devices ever built. Kinetic simulations of relativistic, charged…
We compare the performance of two very different parallel gravitational $N$-body codes for astrophysical simulations on large GPU clusters, both pioneer in their own fields as well as in certain mutual scales - NBODY6++ and Bonsai. We carry…
We use a graphics processing unit (GPU) for fast computations of Monte Carlo integrations. Two widely used Monte Carlo integration programs, VEGAS and BASES, are parallelized on GPU. By using $W^{+}$ plus multi-gluon production processes at…
Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…
The complex regulatory dynamics of a biological network can be succinctly captured using discrete logic models. Given even sparse time-course data from the system of interest, previous work has shown that global optimization schemes are…
We introduce the first version of GPU4PySCF, a module that provides GPU acceleration of methods in PySCF. As a core functionality, this provides a GPU implementation of two-electron repulsion integrals (ERIs) for contracted basis sets…
'How can GPU acceleration be obtained as a service in a cluster?' This question has become increasingly significant due to the inefficiency of installing GPUs on all nodes of a cluster. The research reported in this paper is motivated to…
In a general graph data structure like an adjacency matrix, when edges are homogeneous, the connectivity of two nodes can be sufficiently represented using a single bit. This insight has, however, not yet been adequately exploited by the…
This article presents an optimized algorithm and implementation for calculating resolution-of-the-identity Hartree-Fock (RI-HF) energies and analytic gradients using multiple Graphics Processing Units (GPUs). The algorithm is especially…
This dissertation presents the design, implementation and evaluation of GPU-accelerated simulation frameworks for Evolutionary Spatial Cyclic Games (ESCGs), a class of agent-based models used to study ecological and evolutionary dynamics.…
We present a parallel implementation of the particle-particle/particle-mesh (P3M) algorithm for distributed memory clusters. The GRACOS (GRAvitational COSmology) code uses a hybrid method for both computation and domain decomposition.…
Developing high performance embedded vision applications requires balancing run-time performance with energy constraints. Given the mix of hardware accelerators that exist for embedded computer vision (e.g. multi-core CPUs, GPUs, and…
In a Gray-Box Optimization (GBO) setting that allows for partial evaluations, the fitness of an individual can be updated efficiently after a subset of its variables has been modified. This enables more efficient evolutionary optimization…
The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…
Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
Maximizing the performance potential of the modern day GPU architecture requires judicious utilization of available parallel resources. Although dramatic reductions can often be obtained through straightforward mappings, further performance…
In this report, I discuss the history and current state of GPU HPC systems. Although high-power GPUs have only existed a short time, they have found rapid adoption in deep learning applications. I also discuss an implementation of a…
In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…
Commodity video-gaming hardware (consoles, graphics cards, tablets, etc.) performance has been advancing at a rapid pace owing to strong consumer demand and stiff market competition. Gaming hardware devices are currently amongst the most…
We consider differential Lyapunov and Riccati equations, and generalized versions thereof. Such equations arise in many different areas and are especially important within the field of optimal control. In order to approximate their…