اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدPerformance Acceleration of Kernel Polynomial Method Applying Graphics Processing Units
142
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
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 cluster computer or a supercomputer due to the fine-gain recursive calculations. This paper proposes an implementation of the KPM on the recent graphics processing units (GPU) where the recursive calculations are able to be parallelized in the massively parallel environment. This paper also illustrates performance evaluations regarding the cases when the actual simulation parameters are applied, the one for increased intensive calculations and the one for increased amount of memory usage. Finally, it concludes that the performance on GPU promises very high performance compared to the one on CPU and reduces the overall simulation time.
قيم البحث
اقرأ أيضاً
We present an algorithm for neighbor search in molecular simulations on graphics processing units (GPUs) based on bounding volume hierarchies (BVHs). The BVH is compressed into a low-precision, quantized representation to increase the BVH traversal s
peed compared to a previous implementation. We find that neighbor search using the quantized BVH is roughly two to four times faster than current state-of-the-art methods using uniform grids (cell lists) for a suite of benchmarks for common molecular simulation models. Based on the benchmark results, we recommend using the BVH instead of a single cell list for neighbor list generation in molecular simulations on GPUs.
Gravitational wave Bayesian parameter inference involves repeated comparisons of GW data to generic candidate predictions. Even with algorithmically efficient methods like RIFT or reduced-order quadrature, the time needed to perform these calculation
s and overall computational cost can be significant compared to the minutes to hours needed to achieve the goals of low-latency multimessenger astronomy. By translating some elements of the RIFT algorithm to operate on graphics processing units (GPU), we demonstrate substantial performance improvements, enabling dramatically reduced overall cost and latency.
In this paper, the OpenACC heterogeneous parallel programming model is successfully applied to modification and acceleration of the three-dimensional Tokamak magnetohydrodynamical code (CLTx). Through combination of OpenACC and MPI technologies, CLTx
is further parallelized by using multiple-GPUs. Significant speedup ratios are achieved on NVIDIA TITAN Xp and TITAN V GPUs, respectively, with very few modifications of CLTx. Furthermore, the validity of the double precision calculations on the above-mentioned two graphics cards has also been strictly verified with m/n=2/1 resistive tearing mode instability in Tokamak.
Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In recent years,
graphics processing unit (GPU) provides unprecedented computational power for scientific applications. Many MD algorithms suit with the multithread nature of GPU. In this paper, MD algorithms for macromolecular systems that run entirely on GPU are presented. Compared to the MD simulation with free software GROMACS on a single CPU core, our codes achieve about 10 times speed-up on a single GPU. For validation, we have performed MD simulations of polymer crystallization on GPU, and the results observed perfectly agree with computations on CPU. Therefore, our single GPU codes have already provided an inexpensive alternative for macromolecular simulations on traditional CPU clusters and they can also be used as a basis to develop parallel GPU programs to further speedup the computations.
The investigation of samples with a spatial resolution in the nanometer range relies on the precise and stable positioning of the sample. Due to inherent mechanical instabilities of typical sample stages in optical microscopes, it is usually required
to control and/or monitor the sample position during the acquisition. The tracking of sparsely distributed fiducial markers at high speed allows stabilizing the sample position at millisecond time scales. For this purpose, we present a scalable fitting algorithm with significantly improved performance for two-dimensional Gaussian fits as compared to Gpufit.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
