Quantum chemistry is a discipline which relies heavily on very expensive numerical
computations. The scaling of correlated wave function methods lies, in their standard …

This article presents Codelet Extractor and REplayer (CERE), an open-source framework for
code isolation. CERE finds and extracts the hotspots of an application as isolated fragments …

Achieving optimal program performance requires deep insight into the interaction between
hardware and software. For software developers without an in-depth background in …

An algorithm to compute efficiently the first two derivatives of (very) large multideterminant
wavefunctions for quantum Monte Carlo calculations is presented. The calculation of …

The US Department of Energy's fastest supercomputers and forthcoming exascale systems
employ Graphics Processing Units (GPUs) to increase the computational performance of …

Analytic performance models are essential for understanding the performance
characteristics of loop kernels, which consume a major part of CPU cycles in computational …

The performance model of an application can provide understanding about its runtime
behavior on particular hardware. Such information can be analyzed by developers for …

Multithread programming tools become popular for exploitation of high performance
processing with the dissemination of multicore processors. In this context, it is also popular …

Source-code isolation finds and extracts the hotspots of an application as independent
isolated fragments of code, called codelets. Codelets can be modified, compiled, run, and …

VeriTracer automatically instruments a code and traces the accuracy of floating-point
variables over time. VeriTracer enriches the visual traces with contextual information such as …