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Scientific programming in Fortran

General data

Course ID: WCh-CF-CT06-16 Erasmus code / ISCED: (unknown) / (0613) Software and applications development and analysis
Course title: Scientific programming in Fortran Name in Polish: Programowanie obliczeń naukowych w Fortranie
Department: Faculty of Chemistry
Course groups: (in Polish) Przedmioty fakultatywne dla studentów studiów II stopnia CHEMII - semestr letni
ECTS credit allocation (and other scores): 0 OR 4.00 (depends on study program)
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Language: Polish

Classes in period "2018/2019 summer semester" (past)

Time span: 2019-02-23 - 2019-06-14
Choosen plan division:


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Type of class: Laboratory class, 45 hours more information
Coordinators: Andrzej Eilmes
Group instructors: (unknown)
Students list: (inaccessible to you)
Examination: Course - Grading
Included in the average rate:

yes

Learning outcomes of a component:

KNOWLEDGE:

CH2_W01: Knows syntax and semantics of Fortran language

CH2_W02: 1. Is able to use the concept of numerical complexity 2. Understands the concept of code optimization and knows basic rules of code parallelization

CH2_W07: Knows the limitations of software licenses

COMPETENCES:

CH2_U02: 1. Is able to formulate a solution of the computational problem in Fortran language 2. I able to estimate computational complexity of the problem

CH2_U01: Is able to use existing language documentation and manuals of software libraries

CH2_U06: Is able to use existing documentation and manuals of software libraries

GENERIC COMPETENCES:

CH2_K01: Is able to use open-source software solutions

Requirements:

Completing the course "IT technology" or equivalent.

Conditions of gaining credit:

Assessment with grading

Conditions of assessment: Completing of a mini-project

Grading based on continuous assessment and mini-project.

Assessment methods and criteria for this course:

KNOWLEDGE:

CH2_W01: Continuous assessment. Mini-project.

CH2_W02: Continuous assessment. Mini-project.

CH2_W07: Mini-project.

COMPETENCES:

CH2_U02: Continuous assessment. Mini-project.

CH2_U01: Continuous assessment. Mini-project.

CH2_U06: Continuous assessment. Mini-project.

GENERIC COMPETENCES:

CH2_K01: Mini-project.

Learning activities and teaching methods:

metody praktyczne-ćwiczenia laboratoryjne

metody praktyczne-metoda projektów

ECTS estimate:

Attending laboratory classes - 45 h

Studying software documentation - 30 h

Mini-project - 45 h

Total workload: 120 h, equivalent to 4 ECTS points

Group of learning contents:

(in Polish) Grupa treści kształcenia do wyboru

Short description:

Fortran 90/95/2003 standard. Libraries for numerical calculations. Code parallelizing using OpenMP. Code optimization. Debugging with GDB.

Full description:

Fortran 90/95/2003 standard. Data types, precision. Fortran instructions. I/O operations, external files. Subroutines and functions. Scope of variables. Dynamical data structures and pointers. Estimation of numerical complexity. BLAS and Lapack libraries. Parallel execution using OpenMP. Analysis and modification of sample computational chemistry programs. Compilers, code optimization. GDB debugger.

Bibliography:

Obligatory

Instructions available in computer network of the Faculty of Chemistry. Documentation and manuals available in the Internet.

Suplemental

M. Metcalf, J. Reid. M. Cohen, Fortran 95/2003 explained, Oxford University Press.

Notes: (in Polish)

W ramach kursu odbędzie się 11 spotkań.

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