206 citations · 362 across the 7 of their papers we have counts for
7 papers
Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials
Ryan Stocks, Jorge L. Galvez Vallejo, Fiona C. Y. Yu +5
The accurate simulation of complex biochemical phenomena has historically been hampered by the computational requirements of high-fidelity molecular-modeling techniques. Quantum me…
Experiences Readying Applications for Exascale
Paul T. Bauman, Reuben D. Budiardja, Dmytro Bykov +29
The advent of exascale computing invites an assessment of existing best practices for developing application readiness on the world's largest supercomputers. This work details obse…
Optimizing High-Performance Linpack for Exascale Accelerated Architectures
Noel Chalmers, Jakub Kurzak, Damon McDougall +1
We detail the performance optimizations made in rocHPL, AMD's open-source implementation of the High-Performance Linpack (HPL) benchmark targeting accelerated node architectures de…
Towards an Efficient Tile Matrix Inversion of Symmetric Positive Definite Matrices on Multicore Architectures
Emmanuel Agullo, Henricus Bouwmeester, Jack Dongarra +3
The algorithms in the current sequential numerical linear algebra libraries (e.g. LAPACK) do not parallelize well on multicore architectures. A new family of algorithms, the tile a…
Accelerating Scientific Computations with Mixed Precision Algorithms
Marc Baboulin, Alfredo Buttari, Jack Dongarra +5
On modern architectures, the performance of 32-bit operations is often at least twice as fast as the performance of 64-bit operations. By using a combination of 32-bit and 64-bit f…
A Class of Parallel Tiled Linear Algebra Algorithms for Multicore Architectures
Alfredo Buttari, Julien Langou, Jakub Kurzak +1
As multicore systems continue to gain ground in the High Performance Computing world, linear algebra algorithms have to be reformulated or new algorithms have to be developed in or…