update benchmark

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(

bench/fgcs/20241211_README.tex

@@ -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 <delucia@gfz.de>}
-\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: