Scientific programming in Fortran
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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.
Included in the average rate
Learning outcomes of a component
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
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
CH2_K01: Is able to use open-source software solutions
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
CH2_W01: Continuous assessment. Mini-project.
CH2_W02: Continuous assessment. Mini-project.
CH2_U02: Continuous assessment. Mini-project.
CH2_U01: Continuous assessment. Mini-project.
CH2_U06: Continuous assessment. Mini-project.
Learning activities and teaching methods
metody praktyczne-ćwiczenia laboratoryjne
metody praktyczne-metoda projektów
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
Additional information (registration calendar, class conductors,
localization and schedules of classes), might be available in the USOSweb system: