Lorena A. Barba group


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The hard road to reproducibility

Science 07 Oct 2016 cover

by Lorena A. Barba Science 07 Oct 2016: Vol. 354, Issue 6308, pp. 142 DOI: 10.1126/science.354.6308.142 Early in my Ph.D. studies, my supervisor assigned me the task of running computer code written by a previous student who was graduated and gone. It was hell. I had to sort through many different versions of the code,... Continue »

Reproducible and replicable CFD: it's harder than you think

Choosing an incorrect boundary condition with IBAMR resulted in spurious blockage of vortices at the outlet. Thanks to the support received in the code users' forum, this and other problems were resolved and we succeeded in replicating previous findings.

Reproducible and replicable CFD: it's harder than you think. Submitted: 13 May 2016. Preprint arXiv:1605.04339 Accepted: 13 Oct. 2016, Computing in Science and Engineering. Overview We do our best to accomplish reproducible research and have for years worked to improve our practices to achieve this goal. Barba made a pledge in 2012, the “Reproducibility PI Manifesto,” according... Continue »

Submitted: Inexact Krylov iterations and relaxation strategies with fast-multipole boundary element method

sketch of quadrature-points clustering on boundary element method

Submitted: 19 June 2015   This paper presents a method to algorithmically accelerate boundary element methods. The fast multipole method (FMM) is already used in this context to obtain O(N) computational complexity while solving a dense linear system. Using relaxed-accuracy matrix-vector multiplications in a Krylov solver, we can achieve speed-ups in the order of 4x... Continue »

Probing protein orientation near charged surfaces

Figure from our paper on probing protein orientation near charged surfaces.

First version submitted: 31 March 2015. Submission of split papers: June 7 & June 12. Accepted: 4 Sept. & 26 Dec. 2015.   UPDATE: The material in the original manuscript was split in two papers, submitted to different peer-reviewed journals. The editorial decision on the first submission was that the paper was out of scope... Continue »

New paper published: CiSE journal

The Roofline model relates floating-point performance, operational performance and memory performance. This model distinctly quantifies the high operational intensity of fast N-body algorithms and reveals their advantage on many-core architectures.

A new paper authored by Rio Yokota and Lorena Barba has appeared (published online 3 Jan. 2012) in Computing in Science and Engineering, the joint publication of the IEEE Computer Society and he American Institute of Physics. This paper presents a new hybrid treecode/FMM formulation that has been implemented in the ExaFMM code, recently released... Continue »