Polly—performing polyhedral optimizations on a low-level intermediate representation

T Grosser, A Groesslinger, C Lengauer - Parallel Processing Letters, 2012‏ - World Scientific
The polyhedral model for loop parallelization has proved to be an effective tool for advanced
optimization and automatic parallelization of programs in higher-level languages. Yet, to …

Generating efficient quantum chemistry codes for novel architectures

AV Titov, IS Ufimtsev, N Luehr… - Journal of chemical …, 2013‏ - ACS Publications
We describe an extension of our graphics processing unit (GPU) electronic structure
program TeraChem to include atom-centered Gaussian basis sets with d angular …

Quantum chemistry on graphical processing units. 1. Strategies for two-electron integral evaluation

IS Ufimtsev, TJ Martinez - Journal of Chemical Theory and …, 2008‏ - ACS Publications
Modern videogames place increasing demands on the computational and graphical
hardware, leading to novel architectures that have great potential in the context of high …

Do code clones matter?

E Juergens, F Deissenboeck… - 2009 IEEE 31st …, 2009‏ - ieeexplore.ieee.org
Code cloning is not only assumed to inflate maintenance costs but also considered defect-
prone as inconsistent changes to code duplicates can lead to unexpected behavior …

Quantum chemistry on graphical processing units. 2. Direct self-consistent-field implementation

IS Ufimtsev, TJ Martinez - Journal of Chemical Theory and …, 2009‏ - ACS Publications
We demonstrate the use of graphical processing units (GPUs) to carry out complete self-
consistent-field calculations for molecules with as many as 453 atoms (2131 basis …

Exploiting coarse-grained task, data, and pipeline parallelism in stream programs

MI Gordon, W Thies, S Amarasinghe - ACM SIGPLAN Notices, 2006‏ - dl.acm.org
As multicore architectures enter the mainstream, there is a pressing demand for high-level
programming models that can effectively map to them. Stream programming offers an …

Data-parallel hashing techniques for GPU architectures

B Lessley, H Childs - IEEE Transactions on Parallel and …, 2019‏ - ieeexplore.ieee.org
Hash tables are a fundamental data structure for effectively storing and accessing sparse
data, with widespread usage in domains ranging from computer graphics to machine …

Methods for evaluating and covering the design space during early design development

M Gries - Integration, 2004‏ - Elsevier
This paper gives an overview of methods used for design space exploration (DSE) of micro-
architectures and systems. The DSE problem generally considers two orthogonal issues:(I) …

Excited-state electronic structure with configuration interaction singles and Tamm–Dancoff time-dependent density functional theory on graphical processing units

CM Isborn, N Luehr, IS Ufimtsev… - Journal of Chemical …, 2011‏ - ACS Publications
Excited-state calculations are implemented in a development version of the GPU-based
TeraChem software package using the configuration interaction singles (CIS) and adiabatic …