Scientific Computing II - Summer 16: Difference between revisions

From Sccswiki
Jump to navigation Jump to search
No edit summary
 
(13 intermediate revisions by one other user not shown)
Line 6: Line 6:
| audience = Computational Science and Engineering, 2nd semester <br> others: [https://campus.tum.de/tumonline/WBMODHB.wbShowMHBReadOnly?pKnotenNr=476730&pOrgNr=14189 see module description]
| audience = Computational Science and Engineering, 2nd semester <br> others: [https://campus.tum.de/tumonline/WBMODHB.wbShowMHBReadOnly?pKnotenNr=476730&pOrgNr=14189 see module description]
| tutorials = [[Carsten Uphoff, M.Sc.]] <br> Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 12)
| tutorials = [[Carsten Uphoff, M.Sc.]] <br> Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 12)
| exam = written exam, time/day t.b.a. <!-- Fri, Oct 2, 08.30-10.15 (Interim 2) -->
| exam = written exam, time/day see below
| tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950238630 Scientific Computing II]
| tumonline = [https://campus.tum.de/tumonline/LV.detail?clvnr=950238630 Scientific Computing II]
}}
}}
= Announcements =
* '''Extra session for questions:''' on Tuesday, July 26, in the tutorial slot (10-12 in room MI 02.07.023); opportunity to ask questions on all exam topics covered in the lectures


= Contents =
= Contents =
Line 34: Line 37:
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss13/MG-illustration.pdf some multigrid animations] (more peas!)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss13/MG-illustration.pdf some multigrid animations] (more peas!)
** if you're interested: [http://wwwhome.math.utwente.nl/~botchevma/fedorenko/index.php On the history of the Multigrid method creation] (website article by R.P. Fedorenko)
** if you're interested: [http://wwwhome.math.utwente.nl/~botchevma/fedorenko/index.php On the history of the Multigrid method creation] (website article by R.P. Fedorenko)
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss16/conjugate.pdf Steepest Descent and Conjugate Gradient Methods] (Part I: May 23, Part II: pres. May 30, Part III: pres. Jun 6)
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss16/conjugate.pdf Steepest Descent and Conjugate Gradient Methods] (Part I&II: May 23, Part III: May 30 & Jun 6)
** additional material: [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/quadratic_forms.mws Maple worksheet quadratic_forms.mws], also as [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/quadratic_forms.pdf PDF]
** additional material: [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/quadratic_forms.mws Maple worksheet quadratic_forms.mws], also as [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/quadratic_forms.pdf PDF]
** additional material: [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/conjugate_gradient.mws Maple worksheet conjugate_gradient.mws], also as [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/conjugate_gradient.pdf PDF]
** additional material: [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/conjugate_gradient.mws Maple worksheet conjugate_gradient.mws], also as [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/conjugate_gradient.pdf PDF]
<!--
<!--
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/biros-lecture-nbody-tum.pdf Guest lecture by George Biros on n-body methods]
* [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/biros-lecture-nbody-tum.pdf Guest lecture by George Biros on n-body methods]
-->
* Molecular Dynamics:
* Molecular Dynamics:
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_intro.pdf Molecular Dynamics (Intro)] (Jun 22)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss16/moldyn_intro.pdf Molecular Dynamics (Intro)] (Jun 13)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_01.pdf Molecular Dynamics (Modelling)] (Jun 22)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss16/moldyn_model.pdf Molecular Dynamics (Modelling)] (Jun 13)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_02.pdf Molecular Dynamics (Time-Stepping)] (Jun 29)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss16/moldyn_numerics.pdf Molecular Dynamics (Time-Stepping)] (Jun 20)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss15/moldyn_03.pdf Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole)] (Jul 6, 13)
** [http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss16/moldyn_forces.pdf Molecular Dynamics (Force Computation: Linked Cell, Barnes-Hut, Fast Multipole)] (Jun 20, 27; Jul 4)
*** additional material: [http://epubs.siam.org/doi/abs/10.1137/0913055 article by Anderson: An implementation of the fast multipole method without multipoles] (PDF can be accessed via LRZ proxy or after logging in to TUM's e-library)
*** additional material: [http://epubs.siam.org/doi/abs/10.1137/0913055 article by Anderson: An implementation of the fast multipole method without multipoles] (PDF can be accessed via LRZ proxy or after logging in to TUM's e-library)
-->


== Exercises ==
== Exercises ==
See [//www.moodle.tum.de/course/view.php?id=25898 Moodle] course.
See [//www.moodle.tum.de/course/view.php?id=25898 Moodle] course.
= Repeat Exam =
* '''Exam Review''': Wednesday, Oct 26, 15.00-17.00 (office E.2.048 in Leibniz Supercomputing Centre, Boltzmannstr. 1)
* written exam
* Date: '''Monday, Oct 10'''
* Time: '''8.00-9.45''' - Please make sure to be in the lecture hall by 7.45, as the exam will start precisely at 8.00.
* Place: '''Interim 2''' (black building in front of math/informatics)
* material: '''no helping material of any kind is allowed during the exam'''
* Topics: everything that was covered in the lectures and tutorials <!-- (except the last lecture, on long-range forces, July 17) -->
<!-- * '''extra session for questions''' concerning the exam on '''Tue, July 26, from 10.15''' in room MI 02.07.023 -->
<B> Please make sure that you are registered for the exam via TUMOnline!</B>
Old exams are available on the websites of the last years (note that the curriculum of the lecture has slightly changed since then!):
[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss11/exam.pdf]
[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss10/exam.pdf]
[http://www5.in.tum.de/lehre/vorlesungen/sci_compII/ss08/exam.pdf]


= Literature =
= Literature =

Latest revision as of 08:56, 19 October 2016

Term
Summer 2016
Lecturer
Prof. Dr. Michael Bader
Time and Place
Monday 14-16 (MI HS 2); first lecture: Mon, Apr 11
Audience
Computational Science and Engineering, 2nd semester
others: see module description
Tutorials
Carsten Uphoff, M.Sc.
Tuesdays 10-12, lecture room MI 02.07.023 (from Apr 12)
Exam
written exam, time/day see below
Semesterwochenstunden / ECTS Credits
2V + 2Ü / 5 Credits
TUMonline
Scientific Computing II



Announcements

  • Extra session for questions: on Tuesday, July 26, in the tutorial slot (10-12 in room MI 02.07.023); opportunity to ask questions on all exam topics covered in the lectures

Contents

This course provides a deeper knowledge in two important fields of scientific computing:

  • iterative solution of large sparse systems of linear equations:
    • relaxation methods
    • multigrid methods
    • steepest descent
    • conjugate gradient methods
    • preconditioning
  • molecular dynamics simulations
    • particle-based modelling (n-body simulation)
    • algorithms for efficient force calculation
    • parallelisation

The course is conceived for students in computer science, mathematics, or some field of science or engineering who already have a certain background in the numerical treatment of (partial) differential equations.

Lecture Slides

Lecture slides will be published here as soon as they become available. For future lectures, the respective slides from summer 2015 will be linked.

Exercises

See Moodle course.

Repeat Exam

  • Exam Review: Wednesday, Oct 26, 15.00-17.00 (office E.2.048 in Leibniz Supercomputing Centre, Boltzmannstr. 1)
  • written exam
  • Date: Monday, Oct 10
  • Time: 8.00-9.45 - Please make sure to be in the lecture hall by 7.45, as the exam will start precisely at 8.00.
  • Place: Interim 2 (black building in front of math/informatics)
  • material: no helping material of any kind is allowed during the exam
  • Topics: everything that was covered in the lectures and tutorials

Please make sure that you are registered for the exam via TUMOnline!

Old exams are available on the websites of the last years (note that the curriculum of the lecture has slightly changed since then!): [1] [2] [3]

Literature

  • William L. Briggs, Van Emden Henson, Steve F. McCormick. A Multigrid Tutorial. Second Edition, SIAM, 2000 (available as eBook in the TUM library)
  • Ulrich Trottenberg, Cornelis Oosterlee, Anton Schüller. Multigrid. Elsevier, 2001 (available as eBook in the TUM library)
  • J.R. Shewchuk. An Introduction to the Conjugate Gradient Method Without the Agonizing Pain (download as PDF). 1994.
  • V. Eijkhout: Introduction to High-Performance Scientific Computing (textbook, available as PDF on the website)
  • M. Griebel, S. Knapek, G. Zumbusch, and A. Caglar. Numerical simulation in molecular dynamics. Springer, 2007 (available as eBook in the TUM library)
  • M. P. Allen and D. J. Tildesley. Computer Simulation of Liquids. Oxford University Press, 2003.
  • D. Frenkel and B. Smith. Understanding Molecular Simulation from Algorithms to Applications. Academic Press (2nd ed.), 2002.
  • R. J. Sadus. Molecular Simulation of Fluids; Theory, Algorithms and Object-Orientation. Elsevier, 1999.
  • D. Rapaport. The art of molecular dynamics simulation. Cambridge University Press, 1995.
Retrieved from "https://www5.in.tum.de/wiki/index.php?title=Scientific_Computing_II_-_Summer_16&oldid=20974"