Scientific Software (B-KUL-H0M86B)

Aims
- Familiarizing the students with the characteristics that are typical for scientific software.
- Familiarizing the students with existing numerical software libraries and teaching them to choose from this software.
- Teaching the students to independently design scientific software.
Previous knowledge
Skills: the student should be able to analyze, synthesize and interpret.
Knowledge: a basic course in programming, Object-oriented programming, Numerical mathematics.
Order of Enrolment
This course unit is a prerequisite for taking the following course units:
H0T46A : Project Mathematical Engineering
Identical courses
This course is identical to the following courses:
H03F0B : Technisch-wetenschappelijke software
Is included in these courses of study
Activities
3 ects. Scientific Software: Lecture (B-KUL-H0M86a)
Content
1. Introduction
- Characteristics of scientific software
2. Working with real numbers
- deeper study of IEEE 754 (not limited to number representation, but also dealing with less known aspects such as calculation rules and floating point exceptions)
- multiple-precision arithmetic
- interval arithmetic
3. Languages for scientific applications
- Comparative study of higher programming languages from the point of view of scientific calculations (support of IEEE754, floating point exceptions, matrix representation, intrinsic speed limitations...)
- Object-oriented design in non-pure OO-languages
- Efficiency as attention point during the design and implementation of software
- More thorough study of languages designed for calculations.
4. Working with real computers
- Performance improvement on 1 processor (with multiple calculating units)
- Benchmarking
5. Working with real algorithms
- Testing and evaluating numerical software
- The compromise between reliability and efficiency
- Implementing machine-dependence in portable software
6. Directions in mathematical software
- Overview of various sources
- Use of libraries versus 'tools'
Course material
Study cost: 51-75 euros (The information about the study costs as stated here gives an indication and only represents the costs for purchasing new materials. There might be some electronic or second-hand copies available as well. You can use LIMO to check whether the textbook is available in the library. Any potential printing costs and optional course material are not included in this price.)
Textbook/articles and literature/course text/Toledo
- Book "Accuracy and reliability in scientific software", IFIP WG 2.5 Project 68.
- Educating programmes by Cornell Theory Center
2 ects. Scientific Software: Exercises and Laboratory Sessions (B-KUL-H0M87a)
Content
During the guided exercise sessions, the students become familiar with different aspects of scientific software. The guided exercise sessions serve as a springboard for the home work assignments.
Course material
Manuals Fortran 95/2003 and C++.
Evaluation
Evaluation: Scientific Software (B-KUL-H2M86b)
Explanation
The evaluation is based on home works and a graded exercise session. Each home work is connected to the lectures and exercises. The student must solve the tasks individually and submit them before a given deadline. The purpose of the exam in the examination period in January is to give feedback to the student and to ask the student to explanation his/her work. The final score is based on the reports of the home works and the additional explanations. If the evaluation indicates that the student has not sufficiently met one or several of the aims of the course unit, the global result may deviate from the weighted average of all subcomponents.
A student who obtains 6/20 or less for one third or more of home works cannot succeed.
2nd exam opportunity:
The evaluation consists of a form of continuous assessment on the basis of the home works. Therefore, there is no possibility for a reexamination in the August/September examination period. Spreading the work over the academic year and the September examination period is also excluded.
Only in case of a proven "force majeure", there will the opportunity to hand in all or part of the assignments under a modified form.
Information about retaking exams
No 2nd examination opportunity.