--- /dev/null
+#Vim swap
+.*.swp
+
+#Generated
+/pygments.sty
+/*.aux
+/*.log
+/*.nav
+/*.out
+/*.pdf
+/*.snm
+/*.toc
+/code/*.tex
+/images-dot/*.tex
+/images-svg/*.pdf
+/images-gnuplot/*.pdf
+/images-gnuplot/*.tex
+/images-gnuplot/build_stamp
--- /dev/null
+IMAGE_FILES=$(wildcard images/*)
+
+SVG_FOLDER=images-svg
+SVG_SOURCES=$(wildcard $(SVG_FOLDER)/*.svg)
+SVG_OUTPUTS=${patsubst %.svg,%.pdf,$(SVG_SOURCES)}
+
+CODE_FOLDER=code
+CODE_F90_TEX_FILES=${patsubst %.F90,%.tex,$(wildcard $(CODE_FOLDER)/*.F90)}
+CODE_UFL_TEX_FILES=${patsubst %.ufl,%.tex,$(wildcard $(CODE_FOLDER)/*.ufl)}
+CODE_RAW_FILES=$(wildcard $(CODE_FOLDER)/*.ofl $(CODE_FOLDER)/*.txt)
+CODE_TEX_FILES=$(CODE_F90_TEX_FILES) $(CODE_UFL_TEX_FILES)
+
+DOT_FOLDER=images-dot
+DOT_TEX_FILES=${patsubst %.dot,%.tex,$(wildcard $(DOT_FOLDER)/*.dot)}
+
+GNUPLOT_FOLDER=images-gnuplot/
+GNUPLOT_FOLDER_GENERATOR_FILES=$(wildcard $(GNUPLOT_FOLDER)/*.gpi) $(wildcard $(GNUPLOT_FOLDER)/*.dat)
+GNUPLOT_FOLDER_BUILD_STAMP=$(GNUPLOT_FOLDER)/build_stamp
+
+PDFLATEX_OUTPUT_LOG=pdflatex_output.log
+
+REWRITE_GNUPLOT_EPSLATEX=\
+for epsfile in *.eps; do epstopdf $${epsfile} && rm $${epsfile}; done &&\
+ESCAPED_BUILD_DIR=$$(echo $(1) | sed -r 's/(\/)/\\\1/g') &&\
+for texfile in *.tex; do sed -i -r "s/includegraphics\{([^\/]*)\}/includegraphics\{$${ESCAPED_BUILD_DIR}\/\1\}/g" $${texfile}; done
+
+all: presentation.pdf
+
+display: presentation.pdf
+ xpdf presentation.pdf
+
+display-4up: presentation-4up.pdf
+ xpdf presentation-4up.pdf
+
+4up: presentation-4up.pdf
+
+presentation-4up.pdf: presentation.pdf
+ pdfnup --nup 2x2 --a4paper --scale 0.95 --frame true presentation.pdf -o presentation-4up.pdf
+
+presentation.pdf: $(IMAGE_FILES) $(SVG_OUTPUTS) $(CODE_TEX_FILES) $(CODE_RAW_FILES) $(DOT_TEX_FILES) $(GNUPLOT_FOLDER_BUILD_STAMP) $(wildcard *.tex *.sty) pygments.sty
+ pdflatex -draftmode presentation &&\
+ while(pdflatex presentation | tee $(PDFLATEX_OUTPUT_LOG) && grep "Rerun to get cross-references right" $(PDFLATEX_OUTPUT_LOG)); do true; done &&\
+ rm -f $(PDFLATEX_OUTPUT_LOG)
+
+clean:
+ rm -f *.aux *.log *.out *.pdf *.bbl *.blg *.toc *.lot *.lof *.nav *.snm \
+ $(SVG_FOLDER)/*.pdf \
+ $(BASIS_FUNCTIONS_FOLDER)/*.pdf \
+ $(BASIS_FUNCTIONS_BUILD_STAMP) \
+ $(CODE_TEX_FILES) \
+ $(DOT_FOLDER)/*.tex \
+ $(GNUPLOT_FOLDER_BUILD_STAMP) \
+ $(GNUPLOT_FOLDER)/*.pdf \
+ $(GNUPLOT_FOLDER)/*.tex \
+ pygments.sty
+
+upload: presentation.pdf
+ rsync -C --progress presentation.pdf shell3.doc.ic.ac.uk:~/public_html/psl/presentation_201403.pdf
+
+%.pdf: %.svg
+ inkscape -D -A $@ $<
+
+pygments.sty:
+ pygmentize -S friendly -f latex > $@
+
+%.tex: %.F90
+ pygmentize -f latex -l fortran -o $@ $<
+
+%.tex: %.ufl
+ pygmentize -f latex -l python -o $@ $<
+
+%.tex: %.dot
+ dot2tex --codeonly --usepdflatex -f tikz $< -o $@
+
+$(GNUPLOT_FOLDER_BUILD_STAMP): $(GNUPLOT_FOLDER_GENERATOR_FILES)
+ cd $(GNUPLOT_FOLDER) &&\
+ for gpifile in *.gpi; do gnuplot $${gpifile}; done &&\
+ ${call REWRITE_GNUPLOT_EPSLATEX, $(GNUPLOT_FOLDER)}
+ touch $@
+
+.PHONY: all display clean upload 4up display-4up
--- /dev/null
+#Time spent in total execution (seconds)
+#test onetep onetep-ps fft-box size reduction speedup
+amyloid 390.600 369.759 75x75x75 5.33% 5.63%
+nanotube 1388.241 1253.429 99x99x99 9.71% 10.75%
+cellulose 634.396 568.765 99x99x99 10.34% 11.53%
+lysozyme 961.422 883.121 99x99x99 8.14% 8.86%
+tbl600 322.700 276.946 91x91x91 14.17% 16.52%
+tbl800 440.577 372.350 99x99x99 15.48% 18.32%
+tbl1000 782.798 636.447 117x117x117 18.69% 22.99%
+tbl1200 862.727 696.463 117x117x125 19.27% 23.87%
+
+
+#Time spent in NGWF CG optimisation (seconds)
+#test onetep onetep-ps fft-box size reduction speedup
+amyloid 334.73 310.31 75x75x75 7.29% 7.86%
+nanotube 614.40 503.48 99x99x99 18.05% 22.03%
+cellulose 582.71 507.59 99x99x99 12.89% 14.79%
+lysozyme 691.16 623.83 99x99x99 9.74% 10.79%
+tbl600 309.96 257.24 91x91x91 17.00% 20.49%
+tbl800 423.56 346.38 99x99x99 18.22% 22.28%
+tbl1000 754.86 593.92 117x117x117 21.32% 27.09%
+tbl1200 831.44 649.57 117x117x125 21.87% 27.99%
+
+
+#Time spent in Fourier interpolation routines (seconds)
+#test onetep onetep-ps fft-box size reduction speedup
+amyloid 59.50 53.54 75x75x75 10.01% 11.13%
+nanotube 408.86 278.67 99x99x99 31.84% 46.71%
+cellulose 181.72 134.10 99x99x99 26.20% 35.51%
+lysozyme 220.62 166.96 99x99x99 24.32% 32.13%
+tbl600 159.95 114.90 91x91x91 28.16% 39.20%
+tbl800 222.94 154.05 99x99x99 30.90% 44.71%
+tbl1000 417.13 267.48 117x117x117 35.87% 55.94%
+tbl1200 450.00 278.24 117x117x125 38.16% 61.73%
+
+
+#Time spent in FFT-box interpolation (seconds)
+#test onetep onetep-ps fft-box size reduction speedup
+amyloid 16.50 13.89 75x75x75 15.81% 18.79%
+nanotube 96.39 67.02 99x99x99 30.46% 43.82%
+cellulose 49.80 34.49 99x99x99 30.74% 44.38%
+lysozyme 57.71 40.61 99x99x99 29.63% 42.10%
+tbl600 40.82 29.67 91x91x91 27.31% 37.58%
+tbl800 56.03 39.29 99x99x99 29.87% 42.60%
+tbl1000 101.07 66.27 117x117x117 34.43% 52.51%
+tbl1200 109.46 70.07 117x117x125 35.98% 56.21%
+
+
+#Time spent in FFT-box interpolation-product (seconds)
+#test onetep onetep-ps fft-box size reduction speedup
+amyloid 43.00 39.65 75x75x75 7.79% 8.44%
+nanotube 312.46 211.65 99x99x99 32.26% 47.63%
+cellulose 131.92 99.61 99x99x99 24.49% 32.43%
+lysozyme 162.90 126.35 99x99x99 22.43% 28.92%
+tbl600 119.13 85.23 91x91x91 28.45% 39.77%
+tbl800 166.90 114.75 99x99x99 31.24% 45.44%
+tbl1000 316.05 201.20 117x117x117 36.33% 57.08%
+tbl1200 340.53 208.16 117x117x125 38.87% 63.59%
--- /dev/null
+set terminal epslatex color 10 size 5,4
+
+set xlabel "Problem"
+set ylabel "Speedup"
+set style data histogram
+set style fill solid border -1
+set nokey
+set grid layerdefault linetype -1 linecolor rgb "gray" linewidth 0.2
+set yrange [0:*]
+set xtics border in scale 0,0 nomirror rotate by -45 offset character 0, 0, 0 autojustify
+
+problem_label(name, fftbox_size) = sprintf("%s", name, fftbox_size)
+
+set key top left box
+set yrange [0:2]
+set output "archer-onetep-fourier-imkl.eps"
+plot "archer-onetep-imkl.dat" using ($2/$3) index 3 ti '\tt{fourier\_interpolate}', \
+ "archer-onetep-imkl.dat" using ($2/$3) index 4 ti '\tt{fourier\_interpolate\_product}', \
+ "archer-onetep-imkl.dat" using ($2/$3):xtic(problem_label(strcol(1),strcol(4))) index 2 ti "aggregate"
+
+set nokey
+set yrange [0:*]
+set output "archer-onetep-overall-imkl.eps"
+plot "archer-onetep-imkl.dat" using ($2/$3):xticlabels(1) index 0
--- /dev/null
+% vim:tw=80
+
+\documentclass{beamer}
+\usetheme{Madrid}
+\usepackage{graphicx}
+\usepackage{verbatim}
+\usepackage{fancyvrb}
+\usepackage{tikz}
+\usepackage{ucs}
+\usepackage{alltt}
+\usepackage[utf8x]{inputenc}
+\usepackage{tabularx}
+
+\input{pygments.sty}
+
+\title[Accelerating ONETEP]{Exploring Performance Optimisation Opportunities in ONETEP}
+\subtitle{PSL Outcome Presentation}
+
+\author[F. P. Russell]{Francis P. Russell \\ Joint work with Chris-Kriton Skylaris \& Karl A. Wilkinson}
+\date{06/03/2014}
+\institute[ICL \& Soton]{Imperial College London \& Southampton University}
+
+\begin{document}
+
+\frame{\titlepage}
+
+\frame{
+
+\frametitle{Research Timeline}
+
+\begin{itemize}
+
+\item Original aim was to investigate domain specific languages (DSLs) for quantum
+chemistry, specifically in context of the linear-scaling code ONETEP.
+
+\item We concluded that the domain of variability in
+the input to a domain-specific language for ONETEP was quite small.
+
+\item The domain of variability in the code we could generate was the most
+interesting target - primarily from the perspective of increasing performance.
+
+\item We decided to look at the potential for optimisation in ONETEP's more
+computationally intensive routines to determine if the optimisations we'd
+like to generate even existed.
+
+\end{itemize}
+
+}
+
+\frame{
+
+\frametitle{Speedups in ONETEP Fourier Routines}
+
+\center
+\resizebox{0.8\textwidth}{!}{
+\input{images-gnuplot/archer-onetep-fourier-imkl}
+}
+
+}
+
+\frame{
+
+\frametitle{Overall Impact on ONETEP Performance}
+
+\center
+\resizebox{0.8\textwidth}{!}{
+\input{images-gnuplot/archer-onetep-overall-imkl}
+}
+
+}
+
+
+\end{document}
+
+
projects / francis / psl_presentation_20140306.git / commitdiff