diff --git a/Cc-by-nc-sa_icon.svg b/Cc-by-nc-sa_icon.svg new file mode 100644 index 0000000..daea96d --- /dev/null +++ b/Cc-by-nc-sa_icon.svg @@ -0,0 +1,24 @@ + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/beamerbackgroundtrex.png b/beamerbackgroundtrex.png index 1d22384..0a17e2c 100644 Binary files a/beamerbackgroundtrex.png and b/beamerbackgroundtrex.png differ diff --git a/beamertitletrex.png b/beamertitletrex.png index 36fc02c..6a173a1 100644 Binary files a/beamertitletrex.png and b/beamertitletrex.png differ diff --git a/scemama.tex b/scemama.tex index c21d1b0..3046223 100644 --- a/scemama.tex +++ b/scemama.tex @@ -1,4 +1,4 @@ -% Created 2021-10-04 Mon 16:06 +% Created 2021-10-04 Mon 16:33 % Intended LaTeX compiler: pdflatex \documentclass[aspectratio=169]{beamer} \usepackage[utf8]{inputenc} @@ -53,8 +53,8 @@ $^2$University of Versailles, Li-PaRAD (France)} \maketitle \section{TREX: Targeting REal chemical accuracy at the EXascale} -\label{sec:org6234889} -\begin{frame}[label={sec:orge8012ed}]{TREX: Targeting REal chemical accuracy at the EXascale} +\label{sec:org5b14751} +\begin{frame}[label={sec:orge8da598}]{TREX: Targeting REal chemical accuracy at the EXascale} \begin{exampleblock}{QMC: Quantum Monte Carlo methods} \begin{itemize} \item Highly accurate methods @@ -75,7 +75,7 @@ How: Instead of re-writing codes, provide libraries (free software) \end{exampleblock} \end{frame} -\begin{frame}[label={sec:orgb6f1124}]{Quantum Monte Carlo (QMC)} +\begin{frame}[label={sec:orgce5753d}]{Quantum Monte Carlo (QMC)} \alert{Problem}: Stochastic resolution of the Schr\"odinger equation for $N$ electrons \begin{eqnarray} E &= &\frac{\int \dcoord \Phi(\coord) {\cal H} \Phi(\coord)} @@ -101,7 +101,7 @@ E &= &\frac{\int \dcoord \Phi(\coord) {\cal H} \Phi(\coord)} \end{columns} \end{frame} -\begin{frame}[label={sec:org142f5fb}]{Quantum Monte Carlo (QMC)} +\begin{frame}[label={sec:org6ed0682}]{Quantum Monte Carlo (QMC)} \begin{columns} \begin{column}{0.4\textwidth} \begin{itemize} @@ -119,7 +119,7 @@ E &= &\frac{\int \dcoord \Phi(\coord) {\cal H} \Phi(\coord)} \end{columns} \end{frame} -\begin{frame}[label={sec:org6860f46}]{Both libraries} +\begin{frame}[label={sec:orgc59d3f5}]{Both libraries} \begin{block}{Three objectives} \begin{enumerate} \item \alert{Productivity} \\ @@ -140,8 +140,8 @@ Must be efficient on all architectures \end{frame} \section{TREXIO: I/O library} -\label{sec:org56dbafb} -\begin{frame}[label={sec:org6270b7c}]{TREXIO: I/O library} +\label{sec:org88424a7} +\begin{frame}[label={sec:org9c9c2f0}]{TREXIO: I/O library} \begin{columns} \begin{column}{0.4\textwidth} \begin{exampleblock}{Before} @@ -163,7 +163,7 @@ Must be efficient on all architectures \url{https://github.com/trex-coe/trexio} \end{frame} -\begin{frame}[label={sec:org6ebc715}]{TREXIO: I/O library} +\begin{frame}[label={sec:org8aca922}]{TREXIO: I/O library} \begin{exampleblock}{Front end} \begin{itemize} \item Definition of an API for to read/write wave functions @@ -192,7 +192,7 @@ Must be efficient on all architectures \end{columns} \end{frame} -\begin{frame}[label={sec:org5c5c2c5}]{Content of the files} +\begin{frame}[label={sec:orgbb567ff}]{Content of the files} \begin{itemize} \item File is \alert{self-contained}: no external knowledge needed to compute \(\Psi(r_1,\dots,r_n)\) (normalization factors, basis et @@ -212,7 +212,7 @@ One-electron integrals & Density matrices & ECP\\ \end{itemize} \end{frame} -\begin{frame}[label={sec:orgebb18f0},fragile]{Source code} +\begin{frame}[label={sec:orgaacdd0f},fragile]{Source code} \begin{itemize} \item For each attribute : \begin{minted}[frame=lines,fontsize=\scriptsize,linenos]{c} @@ -230,7 +230,7 @@ Table \(\rightarrow\) JSON \(\rightarrow\) C \\ \end{itemize} \end{frame} -\begin{frame}[label={sec:orgb834d71}]{Source code} +\begin{frame}[label={sec:org7802c31}]{Source code} Productivity: \begin{center} @@ -238,16 +238,16 @@ Productivity: \end{center} \end{frame} -\begin{frame}[label={sec:org72879b5}]{Documentation} +\begin{frame}[label={sec:orga268d6e}]{Documentation} \begin{center} \includegraphics[height=\textheight]{./trexio-doc2.png} \end{center} \end{frame} \section{QMCkl: QMC kernel library} -\label{sec:orga38c689} +\label{sec:org9bb0da1} -\begin{frame}[label={sec:orgc725af2}]{QMC kernel library} +\begin{frame}[label={sec:org549026f}]{QMC kernel library} \begin{block}{Computational kernels} \begin{itemize} \item QMCkl will contain the main kernels of QMC methods (Domain @@ -264,7 +264,7 @@ for different \end{block} \end{frame} -\begin{frame}[label={sec:orgd3f81ae}]{Objectives} +\begin{frame}[label={sec:org8cd96b3}]{Objectives} \begin{itemize} \item The code must stay easy to understand by the physicists/chemists. Performance-related aspects are delegated to the library @@ -276,7 +276,7 @@ Performance-related aspects are delegated to the library \end{itemize} \end{frame} -\begin{frame}[label={sec:orgcbf54ba}]{Functionality and performance} +\begin{frame}[label={sec:org6609bc5}]{Functionality and performance} \begin{itemize} \item Keeping high \emph{productivity}, \emph{portability} and \emph{performance} is very hard in a single piece of software. @@ -302,7 +302,7 @@ implemented in the HPC versions when the API is stabilized. \end{itemize} \end{frame} -\begin{frame}[label={sec:orgc8d8186},fragile]{Library design} +\begin{frame}[label={sec:org33f426a},fragile]{Library design} \begin{itemize} \item Creation of a \emph{Context} that keeps a consistent state of the library \item Memory allocation is abstract: @@ -319,7 +319,7 @@ between kernels: re-compute only what is necessary \end{itemize} \end{frame} -\begin{frame}[label={sec:org30399be},fragile]{Use case: low-level} +\begin{frame}[label={sec:org7f2e24e},fragile]{Use case: low-level} \begin{minted}[frame=lines,fontsize=\scriptsize,linenos]{c} #include @@ -342,7 +342,7 @@ assert (rc == QMCKL_SUCCESS); \end{minted} \end{frame} -\begin{frame}[label={sec:org485a600},fragile]{Use case: high-level} +\begin{frame}[label={sec:orgf45dd18},fragile]{Use case: high-level} \begin{minted}[frame=lines,fontsize=\scriptsize,linenos]{c} #include // ... @@ -366,7 +366,7 @@ rc = qmckl_get_local_energy(context, &e_loc); \end{minted} \end{frame} -\begin{frame}[label={sec:orgac05524}]{Dependencies between kernels} +\begin{frame}[label={sec:org8378951}]{Dependencies between kernels} \begin{columns} \begin{column}{0.5\textwidth} \begin{center} @@ -387,7 +387,7 @@ rc = qmckl_get_local_energy(context, &e_loc); \end{frame} -\begin{frame}[label={sec:org0497d88}]{Development strategy} +\begin{frame}[label={sec:orgd876ae6}]{Development strategy} \begin{enumerate} \item Kernel extraction: QMC specialists agree on the mathematical expression of the problem @@ -400,7 +400,7 @@ with HPC experts from real-size examples \end{enumerate} \end{frame} -\begin{frame}[label={sec:orga17299c}]{Documentation library} +\begin{frame}[label={sec:org2b9e52e}]{Documentation library} Literate programming with Org-mode: \begin{itemize} \item Comments are more important than code @@ -414,7 +414,7 @@ Literate programming with Org-mode: \end{itemize} \end{frame} -\begin{frame}[label={sec:org1ce4822}]{High-Performance strategies} +\begin{frame}[label={sec:orgda06b11}]{High-Performance strategies} \begin{block}{Linear algebra hot spots} \begin{center} \begin{tabular}{lll} @@ -435,7 +435,7 @@ in matrices \end{block} \end{frame} -\begin{frame}[label={sec:org55747c1}]{High-Performance strategies} +\begin{frame}[label={sec:orga9a5f05}]{High-Performance strategies} \begin{block}{Tuning} \begin{itemize} \item Optimization is guided by analysis with \alert{MAQAO}\footnote{https://maqao.org}. @@ -447,22 +447,22 @@ in matrices \end{block} \end{frame} -\begin{frame}[label={sec:org39f5752}]{Example: Specialized DGEMM kernel} +\begin{frame}[label={sec:org1afd5ba}]{Example: Specialized DGEMM kernel} VIJAY \end{frame} -\begin{frame}[label={sec:org4b24636}]{Efficiently guiding the developer} +\begin{frame}[label={sec:orgd391c54}]{Efficiently guiding the developer} \begin{center} \includegraphics[width=\textwidth]{./maqao1.png} \end{center} \end{frame} -\begin{frame}[label={sec:org1017ca1}]{Extensive/automatic testing of different configurations} +\begin{frame}[label={sec:org543da85}]{Extensive/automatic testing of different configurations} \begin{center} \includegraphics[width=\textwidth]{./maqao2.png} \end{center} \end{frame} -\begin{frame}[label={sec:org57c5422}]{First application : 3-body Jastrow factor} +\begin{frame}[label={sec:org95699bb}]{First application : 3-body Jastrow factor} \newcommand{\Jeen}{J_{\text{een}}} \newcommand{\Nel}{N_{\text{elec}}} \newcommand{\Nat}{N_{\text{nucl}}} @@ -600,7 +600,7 @@ vfc\_probe\_assert("Sherman-Morisson", "res", res, \tikzmark{target}1e-7) (targetex.south) to[out=-90,in=90] ([yshift=1.2ex, xshift=.5cm]{pic cs:target}); \end{tikzpicture} \end{frame} -\begin{frame}[label={sec:org7d4e61c}]{Verificarlo CI} +\begin{frame}[label={sec:orge29c5eb}]{Verificarlo CI} \begin{columns} \begin{column}{0.5\textwidth} \begin{exampleblock}{Compare runs}