Related papers: Lattice Simulations using OpenACC compilers
Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because…
We introduce qclab++, a light-weight, fully-templated C++ package for GPU-accelerated quantum circuit simulations. The code offers a high degree of portability as it has no external dependencies and the GPU kernels are generated through…
A comparison of PGI OpenACC, FORTRAN CUDA, and Nvidia CUDA pseudospectral methods on a single GPU and GCC FORTRAN on single and multiple CPU cores is reported. The GPU implementations use CuFFT and the CPU implementations use FFTW. Porting…
The future of computation is the Graphical Processing Unit, i.e. the GPU. The promise that the graphics cards have shown in the field of image processing and accelerated rendering of 3D scenes, and the computational capability that these…
The present panorama of HPC architectures is extremely heterogeneous, ranging from traditional multi-core CPU processors, supporting a wide class of applications but delivering moderate computing performance, to many-core GPUs, exploiting…
A technique used to accelerate an adaptive optics simulation platform using reconfigurable logic is described. The performance of parts of this simulation have been improved by up to 600 times (reducing computation times by this factor) by…
The Particle-In-Cell (PIC) method is a computational technique widely used in plasma physics to model plasmas at the kinetic level. In this work, we present our effort to prepare the semi-implicit energy-conserving PIC code ECsim for…
We present an OpenCL-based Lattice QCD application using a heatbath algorithm for the pure gauge case and Wilson fermions in the twisted mass formulation. The implementation is platform independent and can be used on AMD or NVIDIA GPUs, as…
Recent advances in both theory and computational power have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble simulations are now widely used to compute a number of…
We present the open-source package openQ*D-1.0, which has been primarily, but not uniquely, designed to perform lattice simulations of QCD+QED and QCD, with and without C* boundary conditions, and O(a) improved Wilson fermions. The use of…
The inability to predict lasting languages and architectures led us to develop OCCA, a C++ library focused on host-device interaction. Using run-time compilation and macro expansions, the result is a novel single kernel language that…
We present here our ongoing work on a Domain Specific Language which aims to simplify Monte-Carlo simulations and measurements in the domain of Lattice Quantum Chromodynamics. The tool-chain, called Qiral, is used to produce…
The last decade has seen a shift in the computer systems industry where heterogeneous computing has become prevalent. Graphics Processing Units (GPUs) are now present in supercomputers to mobile phones and tablets. GPUs are used for…
We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of…
We present a portable platform, called PIC_ENGINE, for accelerating Particle-In-Cell (PIC) codes on heterogeneous many-core architectures such as Graphic Processing Units (GPUs). The aim of this development is efficient simulations on…
MiMiC is a flexible and efficient framework for multiscale simulations in which different subsystems are treated by individual client programs. In this work, we present a new interface with OpenMM to be used as an MM client program and we…
We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…
Computer simulations serve as powerful tools for scientists and engineers to gain insights into complex systems. Less costly than physical experiments, computer experiments sometimes involve large number of trials. Conventional design…
This report highlights our work on improving GPU parallelization by supporting compute nodes with multiple GPUs. However, since the default support for multi-GPUs in OpenACC is limited[6], the current implementation allows each MPI process…
It is well-known that molecular dynamics integrators, which are used for lattice quantum chromodynamics (QCD), suffer from instabilities and possess a rather low order of the accuracy. Hence, it is highly desirable to construct a new class…