29 citations · 31 across the 8 of their papers we have counts for
8 papers
QMCkl: A Kernel Library for Quantum Monte Carlo Applications
Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval +16
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provid…
Enabling mixed-precision in spectral element codes
Yanxiang Chen, Pablo de Oliveira Castro, Paolo Bientinesi +2
Mixed-precision computing has the potential to significantly reduce the cost of exascale computations, but determining when and how to implement it in programs can be challenging.…
MLKAPS: Machine Learning and Adaptive Sampling for HPC Kernel Auto-tuning
Mathys Jam, Eric Petit, Pablo de Oliveira Castro +3
Many High-Performance Computing (HPC) libraries rely on decision trees to select the best kernel hyperparameters at runtime,depending on the input and environment. However, finding…
Verificarlo CI: continuous integration for numerical optimization and debugging
Aurélien Delval, François Coppens, Eric Petit +2
Floating-point accuracy is an important concern when developing numerical simulations or other compute-intensive codes. Tracking the introduction of numerical regression is often d…
Enabling mixed-precision with the help of tools: A Nekbone case study
Yanxiang Chen, Pablo de Oliveira Castro, Paolo Bientinesi +1
Mixed-precision computing has the potential to significantly reduce the cost of exascale computations, but determining when and how to implement it in programs can be challenging.…
Bounds on non-linear errors for variance computation with stochastic rounding
El-Mehdi El Arar, Devan Sohier, Pablo de Oliveira Castro +1
The main objective of this work is to investigate non-linear errors and pairwise summation using stochastic rounding (SR) in variance computation algorithms. We estimate the forwar…
TREXIO: A File Format and Library for Quantum Chemistry
Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar +13
TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of prov…
Stochastic rounding variance and probabilistic bounds: A new approach
El-Mehdi El Arar, Devan Sohier, Pablo de Oliveira Castro +1
Stochastic rounding (SR) offers an alternative to the deterministic IEEE-754 floating-point rounding modes. In some applications such as PDEs, ODEs and neural networks, SR empirica…