Plane wave pseudopotential (PWP) density functional theory (DFT) calculation is the most
widely used material science simulation, and the PWP DFT codes are arguably the most …

This paper presents an in-depth analysis of the impact of system noise on large-scale
parallel application performance in realistic settings. Our analytical model shows that not …

GPUs are gaining fast adoption as high-performance computing architectures, mainly
because of their impressive peak performance. Yet most applications only achieve small …

This paper reports on the development of an MPI/OpenCL implementation of LU, an
application-level benchmark from the NAS Parallel Benchmark Suite. An account of the …

We present the performance analysis of a port of the LU benchmark from the NAS Parallel
Benchmark (NPB) suite to NVIDIA's Compute Unified Device Architecture (CUDA), and …

Designing and tuning parallel applications with MPI, particularly at large scale, requires
understanding the performance implications of different choices of algorithms and …

There are a number of challenges facing the High Performance Computing (HPC)
community, including increasing levels of concurrency (threads, cores, nodes), deeper and …

Architectures are rapidly evolving, and exascale machines are expected to offer billion-way
concurrency. We need to rethink algorithms, languages and programming models among …

Maintaining the performance of large scientific codes is a difficult task. To aid in this task, a
number of mini‐applications have been developed that are more tractable to analyze than …

In this paper we demonstrate techniques for increasing the node-level parallelism of a
deterministic discrete ordinates neutral particle transport algorithm on a structured mesh to …