Initial commit

This commit is contained in:
Anthony Scemama 2021-11-17 09:41:00 +01:00
commit d1f3d00901
33 changed files with 597 additions and 0 deletions

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#+TITLE: Fundamentals of parallelization
#+DATE: 23-24/11/2021
#+AUTHOR: Anthony Scemama
#+LaTeX_HEADER: \institute{Lab. Chimie et Physique Quantiques, IRSAMC, UPS/CNRS, Toulouse (France)}
#+LATEX_CLASS: beamer
#+LaTeX_CLASS_OPTIONS:[aspectratio=169]
#+BEAMER_THEME: trex
#+LaTeX_HEADER: \usepackage{minted}
#+LaTeX_HEADER: \usemintedstyle{emacs}
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#+LaTeX_HEADER: \usepackage[utf8]{inputenc}
#+LaTeX_HEADER: \usepackage[T1]{fontenc}
#+LaTeX_HEADER: \usepackage{hyperref}
#+LaTeX_HEADER: \usepackage{mathtools}
#+LaTeX_HEADER: \usepackage{physics}
#+LaTeX_HEADER: \definecolor{darkgreen}{rgb}{0.,0.6,0.}
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#+EXPORT_EXCLUDE_TAGS: noexport
#+startup: beamer
#+options: H:2
* Supercomputers
* Fundamentals of parallelization
** Introduction
*** Definitions
- Concurrency :: Running multiple computations at the same time.
- Parallelism :: Running multiple computations *on different execution units*.
*** Multiple levels
| *Distributed* | Multiple machines |
| *Shared memory* | Single machine, multiple CPU cores |
| *Hybrid* | With accelerators (GPUs, ...) |
| *Instruction-level* | Superscalar processors |
| *Bit-level* | Vectorization |
All levels of parallelism can be exploited in the same code,
but every problem is not parallelizable at all levels.
** Data movement
* OpenMP
* Message Passing Interface (MPI)
* Export :noexport:
#+BEGIN_SRC elisp :output none
(setq org-latex-listings 'minted)
(setq org-latex-custom-lang-environments
'(
(f90 "fortran")
))
(setq org-latex-minted-options
'(("frame" "lines")
("fontsize" "\\scriptsize")
("linenos" "")))
(setq org-latex-to-pdf-process
'("pdflatex -shell-escape -interaction nonstopmode -output-directory %o %f"
"pdflatex -shell-escape -interaction nonstopmode -output-directory %o %f"
"pdflatex -shell-escape -interaction nonstopmode -output-directory %o %f"))
(org-beamer-export-to-pdf)
#+END_SRC
#+RESULTS:
: /home/scemama/MEGA/TEX/Cours/TCCM/TCCM2022/Parallelism/parallelism_scemama.pdf
* Figures :noexport:
#+BEGIN_SRC dot :output file :file interfaces.png
digraph G {
QP [label="Quantum Package"];
DM [label="Density matrices"];
QMCCHEM [label="QMC=Chem"];
Turbo [label="TurboRVB"];
QP -> FCIDUMP;
FCIDUMP -> NECI;
NECI -> DM [style="dotted"];
NECI -> QMCCHEM [style="dotted"] ;
QP -> QMCCHEM;
QP -> CHAMP;
QP -> DM [style="dotted"];
QP -> Turbo [style="dotted"];
NECI -> Turbo [style="dotted"];
NECI -> CHAMP [style="dotted"];
QMCCHEM -> DM [style="dotted"];
CHAMP -> DM [style="dotted"];
Turbo -> DM [style="dotted"];
DM -> GammCor;
QP -> QML [style="dotted"];
NECI -> QML [style="dotted"];
QMCCHEM -> QML [style="dotted"];
CHAMP -> QML [style="dotted"];
Turbo -> QML [style="dotted"];
GammCor -> QML [style="dotted"];
}
#+END_SRC
#+RESULTS:
[[file:interfaces.png]]
#+BEGIN_SRC dot :output file :file interfaces2.png
digraph G {
layout=circo;
QP [label="Quantum Package"];
QMCCHEM [label="QMC=Chem"];
Turbo [label="TurboRVB"];
TREX [label="TREX Format"];
CHAMP -> TREX;
GammCor -> TREX;
NECI -> TREX;
QMCCHEM -> TREX;
QML -> TREX;
QP -> TREX;
Turbo -> TREX;
TREX -> CHAMP;
TREX -> GammCor;
TREX -> NECI;
TREX -> QMCCHEM;
TREX -> QML;
TREX -> QP;
TREX -> Turbo;
}
#+END_SRC
#+RESULTS:
[[file:interfaces2.png]]

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