|
|
|
||
High Performance Computing in Physics. General rules, basic methods how to work with sustem used at largest
clusters of Czech national supercomputing center (IT4Innovations) and similar centres. Preparation of
computationally intensive problems (optimization, parallelization), execution of jobs at computational clusters and
other practical aspects. Recommended for bc. students of physics. Precondition is to be capable of basic handling
of Unix/Linux systems.
Last update: Mikšová Kateřina, Mgr. (11.05.2023)
|
|
||
To participate in the exam it is necessary to complete the credit. Credit requirements require active participation in exercises. For this reason corrective attempts to grant credit are not possible. The exam contains oral part, and its requirements follow the subject syllabus as presented during lectures. Last update: Mikšová Kateřina, Mgr. (11.05.2023)
|
|
||
1. Fortran 95/2003 Explained, Michael Metcalf, John Reid, and Malcolm Cohen, Oxford University Press (2004) 2. Numerical Recipes in Fortran 90 - The Art of Parallel Scientific Computing, William H. Press, 3. Saul A. Teukolsky, William T. Vetterling, Brian P. FlanneryPerformance Optimization of Numerically Intensive Codes, S. Goedecker, A. Hoisie, SIAM, Philadelphia, PA, 2001 4. J. Dongarra, J. Bunch, C. Moler and G. W. Stewart, Linpack User's Guide, SIAM, Philadelphia, PA, 1979, nebo online verze LAPACK Users' Guide 5. J. Dongarra, Sourcebook of parallel computing, Morgan Kaufmann Publishers, San Francisco, 2003 Last update: Mikšová Kateřina, Mgr. (11.05.2023)
|
|
||
1. What is High Performance Computing. History plus how the development at IT4I goes.. X86 vs. GPU, vs. what is the compiler, parallelization etc.
2. Basic Unix commands, editing files by Nano, etc.
3. Scheduler, Modules, basic usages of batch system (Slurm, PBSPro) etc.. graphics visualization, detecting different nodes, etc.
4. Queues, detecting nodes, projects accounting, limits of queues, etc.
5. Easybuild and its control, how to use it and tailor it, making group and usage of module within the group
6. Libraries for mathematical operations (linear algebra packages) LAPACK, BLAS, etc.
7. Basics of Fortran
8. Makefile, compiling of the code (eg. Fortran), change and linking. Static vs. Dynamical libraries.
9. Basic of bash, loops for, while, basic math, etc.
10. Profiling of the code
11 -14 i) Practical parts - Quantum-Mechanical Calculations of Electronic structure of simple elements, equilibrium lattice constant, bulk modulus, demonstration of the power of prediction.
It’s possible to include problems proposed by students Last update: Mikšová Kateřina, Mgr. (11.05.2023)
|