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Slide1
Computational Physics
Dr. Guy Tel-
Zur2011A
Sunny Yellow
Flower.
Picture
by
Sharee
Basinger
, publicdomainpictures.netSlide2
About me...
1988
1991
1996
1996+
2001+
2003-2004
2005+Slide3
Survey
Please answer the survey at:http://spreadsheets.google.com/gform?key=t3TcOcxehKAzYyhm6WukzeA#inviteSlide4
The Course Vision
“The crucial need for today's students and readers is to move forward from the older "formula-based" emphasis toward a
solution-based course. Solving problems is the heart of modern engineering mathematics and scientific computing. “ – Gilbert Strang – Computational Science and Engineering, page 7, SIAM (2007).Slide5
What is Computational Physics
Reference:
Resource Letter CP-2: Computational PhysicsRubin H. Landau, Am. J. Phys. 76 4&5, April/May 2008Slide6
A broader view –
Computational Science
X
Math
CS
Computational
X
X=Physics, Biology, Chemistry, …Slide7
Reference:
Resource Letter CP-2: Computational Physics
Rubin H. Landau, Am. J. Phys. 76 4&5, April/May 2008Slide8
3 Pillars
Theory
ComputationalPhysicsExperimentSlide9
4 Pillars?
Theory
ComputationalPhysicsData Mining
Experiment
2 Computational Pillars
See next slide, from Communications of
the ACM, http://cacm.acm.org/magazines/2010/9/98038-science-has-only-two-legs/fulltextSlide10
September 2010 issueSlide11
NVIDIA CEO at the GTC2010, Sept. 2010Slide12
The 3
rd
Pillar of Science is HPC !!!HPC = High – Performance ComputingSlide13
What is Computational Physics?
Computational
Physics combines physics, computer science and applied mathematics in order to provide scientific solutions to realistic and often complex problems. Areas of application include the nature of elementary particles, the study and design of materials, the study of complex structures (like proteins) in biological physics, environmental modeling, and medical imaging. A computational physicist understands not only the workings of computers and the relevant science and mathematics, but also how computer algorithms and simulations connect the two.Source: http://www.sru.edu/academics/colleges/ches/physics/Pages/ComputationalPhysics%28BS%29.aspxSlide14
Computational Physics is an active fieldSlide15
Journals and Magazines…Slide16
APS, EPS, IPS…
No CP division
Slide17
Scientific Papers On-line at arXiv.org
http://arxiv.org/list/physics.comp-ph/recentSlide18
Career Opportunities for Computational Physicists
A graduate degree in physics in areas such as biophysics, condensed matter physics, particle physics, astrophysics to name a few.
A career in High-performance and scientific computing, in the energy and aerospace sectors, with chemical and pharmaceutical companies, with environmental management agencies. Employment in firms that develop scientific software, as well as computer games. A research career in an academic, industrial, or national laboratory
A
teaching career in physics
A
job in Wall Street. Even Wall Street employers are interested in people with a background in computational physics.
Source: http://www.sru.edu/academics/colleges/ches/physics/Pages/ComputationalPhysics%28BS%29.aspxSlide19
Physics Engine in Computer GamesSlide20
Course Building Blocks
Tools
MethodsCase Studies
PracticeSlide21
Parallel and distributed computing
Rubin Landau et al, “A Survey of Computational Physics”Slide22
Rubin Landau et al, “A Survey of Computational Physics”
Scheme on previous slide refers to at least 2 quarters (20 weeks) courseSlide23
Scientific Discovery through Advanced Computing (
SciDAC)
DOE Office of Sciencehttp://www.scidac.gov/When will be such a national initiative in Israel…?
Slide24
Source: http://www.princeton.edu/as/LNL/presentations/spring2010/LnL031010TangFusionSimulation.pdfSlide25
What V&V Means?
The problem
of quantifying uncertainty:Validation "Solving the right equations"Verification "Solving the equations right"Slide26
T
oolsProgramming Languages
C/C++FortranPythonNumerical ToolsCERN paw/root/Matlab/Octave/ScilabVisualizationVTK - grace - Paraview
-
VisIt
-
MayaviV
python - GNUplot -DXWorkflowKepler(?)
+OpenMP
+MPI+CondorSlide27
Full Scientific Research Study – “Workflow”
Raw Data
Number Crunching/Data AnalysisReduced Data
Visualization
“Batch”
“Data Base”
Specific Format , e.g.
NetCDF
Interactive mode
Prototyping (
Matlab
)Slide28
P
arallelism
AMD – 6 cores microprocessor
My Goal: Introducing Parallelism whenever possible is going to be my own “twist” to the course
Power7: IBM’s Next-Generation Server Processor with 8 cores.
The chip is 567 mm2 and contains 1.2 billion transistors
Recommended Reading:
http://www.computer.org/cms/Computer.org/ComputingNow/homepage/2010/0710/W_MI_Power7.pdfSlide29
NVIDIA CEO at GTC2010
GPGPU increase presence at the Top500 SupercomputersSlide30
Serial vs
. Parallel - demo
Execute: C
:\
FlexPDE5student\samples_student\steady_state\fluids\swirl
Low
cpu
utilization
Uses only one coreSlide31
Some highlights of the course – Next slides
We will have:
Standard “Classical” text PLUSSeveral “Mini-Courses” – My add-onsParallel Computing – MPI, OpenMPBatch/Grid Computing – CondorVisualization (next slide)Cluster ComputingSlide32
Parallel Visualization
A visit to the parallel visualization lab at the Mechanical Engineering buildingSlide33
How to build a parallel computing cluster – hands on demoSlide34
A report from SC10
The Latest InnovationsSlide35
Course Web Site
http://physics.bgu.ac.il/~gtelzur/teaching/comphy/2011A/Slide36
חובות הקורס וציונים
קיימת חובת הגשת כל 4 תרגילי הבית (התעוד יעשה ב- LaTeX ויוגש כ- PDF באמצעות הדוא"ל למרצה.
באופן מדגמי יבדקו תרגילים ויינתן עליהם ציון (עד סוף הסמסטר תיבדק לכל הפחות עבודה אחת מכל סטודנט) – משקל: 20%סיכומי השיעור – כל שיעור יסוכם בפורמט מאמר על-ידי סטודנט אחר ויינתן על-כך ציון. הסיכום יעשה ב- LaTeX. משקל: 10%(*) לא סופי - תלוי במספר הסטודנטיםבסוף הסמסטר – פרויקטי גמר. לפרויקט שני חלקים: מצגת ודוח מסכם 70%– ראו פרטים נוספים בהמשך.Slide37
נשאלתי לגבי העומס הצפוי בקורס
Keys to success Right motivation, working diligently, effectively and efficiently is the key to success.If you work regularly and allocate enough time each day to practice and completethe assignments on time and keep up with the course, you will get the most out ofthe course both intellectually and grade-wise.You should invest about 6-9 hours per week outside of class to succeed in this
course. This is consistent with university guidelines (i.e. two to three hours ofoutside preparation time for every credit hour). Students with little or noprogramming experience (or those who love the subject and wish to do extremelywell in it) may want to put in more hours. Please, let me know as soon as possibleif you have difficulties and may need extra help.You are recommended to start you assignments well before the last night whenyour assignments are due. It is a general experience that a computer programusually does not work correctly (if works at all) at the beginning. A search for aproblem, or a computer bug, may take more time that you expect.
The following is from:
Old Dominion University Physics 420/520 Spring 2010
הערות נוספות:
בע"פ על-ידי המרצהSlide38
תרגילי הבית
Approximately 4 sets of homework problems will be assigned. The students will write computer programs
based on computational algorithms discussed in class. These assignments constitute a very important part of the course, since the thinking involved in scientific programming can only be developed through practical work. The assignments must be returned by their stated due dates, unless an extension is granted by the instructor. For late return of assignments, a 10% point deduction will be applied for each late day.
Programs
should be written in Fortran
90/95 or in C/C++ or in Python.
The
programs as well as a short report discussing the results should be handed in to the instructor by the stated due date. The solution programs should be sent as an attachment in an e-mail to the address gtelzur@bgu.ac.il. The report (hardcopy required) should be handed to the instructor in class before the deadline.Every
student is expected to work independently on the assignments. However, discussions with fellow students are allowed, indeed encouraged, as long as they are kept on a general level and do not amount to direct copying of ideas or programming solutions. Although discussions and some degree of cooperation between students is allowed, The material turned in must be independently written.
Inspired from: http://physics.bu.edu/~py502/syllabus.pdfSlide39
פרויקטי הגמר
מהווים את החלק הארי בציון על הקורס.מייחס להם חשיבות רבה.כל סטודנט יציג בפני הכיתה את נושא הפרוייקט שלואני אפרסם בהמשך רשימת נושאים מטעמיאתם מוזמנים להציע נושאים משלכם. אפשר לקבל רעיונות בקישור הבא: http://physics.usc.edu/~
shaas/516/projects.htmlSlide40
פרויקטי הגמר
מצגת – הפרויקט יוצג בפני הכיתה. יש לתאר את נושא העבודה, האתגר החישובי והדרך למתן מענה לאתגר.בשלב הזה לא נדרשת כתיבת תכנית מחשב – משקל 10% מהציון הסופידוח מסכם: יסכם את כל הפרויקט לרבות המצגת ותכנית המחשב שתכתב עבורו. יצורף תיעוד מלא ומסקנות (פרוט מבנה העבודה – בהמשך). משקל: 60% מהציון הסופיSlide41
המצגות של פרויקטי הגמר
כל סטודנט יציג נושאפורמט PPT, PDF, HTML
המצגות תתקיימנה בשני השיעורים האחרונים של הקורסשפה: עברית/אנגלית (דיבור/שקפים).יש לשלוח באמצעות המייל את המצגת אל המרצה עד חצות הלילה שלפני השיעור כך שהמצגת תועלה למחשב המרצה ולא יהיה בזבוז זמן של התקנות מהתקנים חיצוניים או חיבור מחשבים למקרן בזמן השיעוראת המצגות יש לשלוח לכתובת: gtelzur@gmail.comSlide42
הדוח המסכם של פרויקט הגמר
חלק או כל העבודות תועלנה בהמשך לאתר הקורסמבנה העבודה: שער (שם, ת.ז., כותרת), תמצית, מבוא,גוף העבודה, מסקנות, רשימת סימוכין, נספחים.מומלץ לכלול גראפים, תרשימים, טבלאות להמחשת התוצאות
מומלץ פורמט LaTeX – ראו בהמשךהגשה אלקטרונית בלבד לכתובת: gtelzur@gmail.comSlide43
More tips about the Final Projects
Consult these links:http://www.odu.edu/~
agodunov/teaching/phys420_10/organize_comp_proj.pdfhttp://www.odu.edu/~agodunov/teaching/phys420_10/Sample_Project.pdfhttp://www.odu.edu/~agodunov/teaching/notes/Intr02_projects.pdfSlide44
Programming Languages
C/C++Fortran 90/95PythonMore discussion on that in the next presentation!Slide45
כלי המחשה -
Visualization ToolsGnuplot – included in Python(
x,y)Xmgrace – 2D, Linux onlyvPython – included in Python(x,y)Qtiplot – Free for Linux OS (Origin clone) http://soft.proindependent.com/qtiplot.htmlExcelCERN’s PAW/Root (if time will permit)Slide46
LaTeX
Learn LaTex, here are a few links to tutorials:http://
www.cs.cornell.edu/Info/Misc/LaTeX-Tutorial/LaTeX-Home.htmlhttp://www.pages.drexel.edu/~pyo22/students/latexRelated/latexTutorial.htmlGetting Started With LaTex: http://www.maths.tcd.ie/~dwilkins/LaTeXPrimer/GSWLaTeX.pdfSlide47
LaTeX
Recommended Environment
(install it on your laptops)MikTeX: http://www.miktex.org/LaTeX Editor: Led -http://
www.latexeditor.org/index.html
Optional:
LyX
- http://www.lyx.org
/(less recommended)Online check your LaTeX equations with Texify: http://www.texify.com/links.phpSlide48
Linux Background
Check: http://www.physics.udel.edu/~bnikolic/teaching/phys660/RUTE/rute/index.htmlSlide49
מה עוד?
נשתדל למצוא זמן למשחקים ולהדגמות יפות!Open Source Physics - http://www.compadre.org/osp/נתקלתם במאמר מעניין? קישור רלוונטי באינטרנט – אודה לכם אם תשלחו מידע זה אליSlide50
שמירה על קשר
אתם יכולים לפנות אלי במייל: gtelzur@gmail.comנא לעקוב אחרי אתר האינטרנט של הקורס אשר מתעדכן באופן שוטףMailing lists? – אפשר להקים בגוגלקבוצה בפייסבוק...
?Slide51
Let’s get started!