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  • wtools
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  • Folders structure

Last edited by Daniel Pecak Mar 13, 2022
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Folders structure

Naming convention

  • st stands for abbreviation of static
  • td stands for abbreviation of time dependent

Folders structure

  • Makefiles-templates
    storage for various compilation scripts. Name convention is following: Makefile.type.machine. It is recommended to copy file from this location to your project folder
    cp Makefile.st.dwarf ../st-myprojectname/Makefile
  • hpc-engine
    here we store all C and CUDA files related to HPC engine. Only developers familiarize with HPC techniques should introduce modifications to this folder.
  • job-scripts-templates
    here we store examples of submission scripts for various computing systems.
  • lib-wdata
    implementation of W-data format. Visit plugin is also located here.
  • st-project-template
    template for static type project. When you start new project (calculations), please make copy of this folder:
    cp -r st-project-template st-my-project-name
    and then introduce modifications to the new folder. By default Makefile is equivalent to ../Makefiles-templates/Makefile.st.simple.
  • st-testcase-uniform
    testing case for uniform problem. When you start calculations on new machine or with new settings it is recommended to check correctness of calculations using this testing case. The testings case can be also used for benchmarking the computation process, estimating cost of the computation.
  • td-project-template
    template for time dependent type project. When you start new project (calculations), please make copy of this folder:
    cp -r td-project-template td-my-project-name
    and then introduce modifications to the new folder. By default Makefile is equivalent to ../Makefiles-templates/Makefile.td.simple.
    Note: td projects require CUDA.
  • td-testcase-uniform
    testing case for uniform problem. When you start calculations on new machine or with new settings it is recommended to check correctness of calculations using this testing case. The test is constructed in analogs way as for static case. The test case evolves stationary uniform state and td-wslda-?d codes should evolve it without any noticeable changes. (All printed physical quantities on screen should be time independent).
  • tools
    collection of useful tools, mainly for data processing. After executing make the tools will be compiled to tools/bin.
  • tex
    here we store various files with documentation in tex or pdf format.
Clone repository
  • API version
  • Automatic interpolations
  • Auxiliary tools
  • Browsing the code
  • Broyden algorithm
  • C and CUDA
  • Campaign of calculations
  • Checking correctness of settings
  • Chemical potentials control
  • Code & Results quality
  • Common failures of static codes
  • Common failures of time dependent codes
  • Computation domain
  • Configuring GPU machine
  • Constraining densities and potentials
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