diff --git a/bench/dolo/CMakeLists.txt b/bench/dolo/CMakeLists.txt index 311d14d22..a119e63b2 100644 --- a/bench/dolo/CMakeLists.txt +++ b/bench/dolo/CMakeLists.txt @@ -3,7 +3,7 @@ set(bench_files ) set(runtime_files - dolo_interp_rt.R + dolo_interp_rt_dt2000.R ) ADD_BENCH_TARGET( diff --git a/bench/fgcs/20241211_README.pdf b/bench/fgcs/20241211_README.pdf deleted file mode 100644 index 2cd4332f2..000000000 Binary files a/bench/fgcs/20241211_README.pdf and /dev/null differ diff --git a/bench/fgcs/20241211_README.tex b/bench/fgcs/20241211_README.tex deleted file mode 100644 index 579445633..000000000 --- a/bench/fgcs/20241211_README.tex +++ /dev/null @@ -1,102 +0,0 @@ -% Created 2024-12-11 mer 23:24 -% Intended LaTeX compiler: pdflatex -\documentclass[a4paper, 9pt]{article} -\usepackage[utf8]{inputenc} -\usepackage[T1]{fontenc} -\usepackage{graphicx} -\usepackage{longtable} -\usepackage{wrapfig} -\usepackage{rotating} -\usepackage[normalem]{ulem} -\usepackage{amsmath} -\usepackage{amssymb} -\usepackage{capt-of} -\usepackage{hyperref} -\usepackage{fullpage} -\usepackage{amsmath} -\usepackage{graphicx} -\usepackage{charter} -\usepackage{listings} -\lstloadlanguages{R} -\author{MDL } -\date{2024-12-11} -\title{A \texttt{barite}-based benchmark for FGCS interpolation paper} - - - -\begin{document} - -\maketitle - -\section{Description} -\label{sec:org739879a} - -\begin{itemize} -\item \texttt{barite\_fgcs\_2.R}: POET input script with circular - "crystals" on a 200x200 nodes grid - -\item \(\alpha\): isotropic 10\textsuperscript{-5} - m\textsuperscript{2}/s outside of the crystals, - 10\textsuperscript{-7} inside -\item 200 iterations, dt = 1000 -\item \texttt{barite\_fgcs\_2.pqi}: PHREEQC input, 4 SOLUTIONS - (basically the same as in \texttt{barite} benchmark): - \begin{enumerate} - \item Equilibrium with Celestite, no mineral \(Rightarrow\) - \item Equilibrium with Celestite, KINETICS Celestite (1 mol) and - Barite (0 mol) - \item Injection of 0.1 BaCl2 from NW corner - \item Injection of 0.2 BaCl2 from SE corner -\end{enumerate} - -\item \texttt{db\_barite.dat}: PHREEQC database containing the kinetic - expressions for barite and celestite, stripped down from - \texttt{phreeqc.dat} -\end{itemize} - -\begin{figure}[htbp] - \centering - \includegraphics[width=0.48\textwidth]{./fgcs_Celestite_init.pdf} - \includegraphics[width=0.48\textwidth]{./fgcs_Barite_200.pdf} - \caption{\textbf{Left:} Initial distribution of Celestite - "crystals". \textbf{Right:} precipitated Barite} -\end{figure} - -\section{Interpolation} -\label{sec:org2a09431} - -Using the following parametrization: - -\begin{lstlisting} -dht_species <- c("H" = 7, - "O" = 7, - "Ba" = 7, - "Cl" = 7, - "S(6)" = 7, - "Sr" = 7, - "Barite" = 4, - "Celestite" = 4) - -pht_species <- c("Ba" = 4, - "Cl" = 3, - "S(6)" = 3, - "Sr" = 3, - "Barite" = 2, - "Celestite" = 2 ) -\end{lstlisting} - -Runtime goes from 1800 to 600 s (21 CPUs) but there are "suspect" -errors especially in O and H, where "suspect" means some values appear -to be multiplied by 2: -\begin{figure}[htbp] - \centering - \includegraphics[width=0.9\textwidth]{./fgcs_interp_1.pdf} - \caption{Scatterplots reference vs interpolated after 1 coupling - iteration} -\end{figure} -\end{document} - -%%% Local Variables: -%%% mode: LaTeX -%%% TeX-master: t -%%% End: