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  • Auxiliary tools

Last edited by Gabriel Wlazłowski Jun 25, 2021
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Auxiliary tools

W-SLDA Toolkit provide various tools that may support computation and data analysis process. In order to create them enter tools folder and edit (if necessary) header of Makefile. Next execute

make

Executables will be written to wslda/tools/bin folder.

W-DATA format related tools

wdata-cut

Purpose: extracts subset from existing wdata set.

In many cases for testing purposes it is sufficient to have only sample of data (for example to download it locally and test a code). You can use wdata-cut tool exatract a data sample. Syntax is following:

Usage: ./wdata-cut file.wtxt outprefix start stop
        file.wtxt    - metadata file
        outprefix    - for new files, metadata file will be written to outprefix.wtxt
        [start,stop) - range for subtructing cycles

For example to extract the first cycle only:

[gabrielw@dell tools]$ ./wdata-cut ../lib-wdata/test.wtxt ./sample 0 1 
WDATA SUBSET EXTRACTOR
WORKING DIR: `../lib-wdata` --> `.`
SUBTRUCTION RANGE: [0,1)
READING FILE: `../lib-wdata/test.wtxt`
WRITING NEW METADAFILE: `./sample.wtxt`
DONE.

wdata-sample

Purpose: creates new data set, where only every stride measurment is present.

This tool is very similar to wdata-cut tool with change that it strides the data set. Syntax is following:

Usage: wdata-sample file.wtxt outprefix stride
        file.wtxt    - metadata file
        outprefix    - for new files, metadata file will be written to outprefix.wtxt
        stride       - take only every stride measurment

dpca2wdata

Purpose: creates wtxt metadata file for existing dpca files.

Syntax:

[gabrielw@dell tools]$ ./dpca2wdata 
Usage: ./dpca2wdata prefix
        prefix - prefix of dpca files

Example of usage:

[gabrielw@node2066 CALC-UFG]$ ls ufg1V0.6*.dpca
ufg1V0.6_current_a.dpca  ufg1V0.6_current_b.dpca  ufg1V0.6_delta.dpca  ufg1V0.6_density_a.dpca  ufg1V0.6_density_b.dpca
[gabrielw@node2066 CALC-UFG]$ dpca2wdata ufg1V0.6
DPCA -> WDATA CONVERTER
WORKING DIR: `.`
READING HEADER OF `ufg1V0.6_density_a.dpca`
--------------------------------
NX                      768   # lattice
NY                       96   # lattice
NZ                        1   # lattice
DX                        1   # spacing
DY                        1   # spacing
DZ                        1   # spacing
datadim                   3   # dimension of block size: 1=NX, 2=NX*NY, 3=NX*NY*NZ
prefix             ufg1V0.6   # prefix for files belonging to this data set, binary files have names prefix_variable.format
cycles                 1001   # number of cycles (measurements)
t0                        0   # time value for the first cycle
dt                   1.3881   # time interval between cycles

# variables
# tag                  name                    type                    unit                  format
var               density_a                    real                    none                    dpca
var               density_b                    real                    none                    dpca
var                   delta                 complex                    none                    dpca
var               current_a                  vector                    none                    dpca
var               current_b                  vector                    none                    dpca

# links
# tag                  name                 link-to

# consts
# tag                  name                   value
const                    eF                    0.72

--------------------------------
GENERATED `ufg1V0.6.wtxt`

st-wslda related tools

wdata2checkpoint

Purpose: Converts W-DATA results into checkpoint file than can be used as starting point for self-consistent process.

Usage: ./wdata2checkpoint file.wtxt outprefix
        or
Usage: ./wdata2checkpoint file.wtxt outprefix cycleid
        file.wtxt    - metadata file
        outprefix    - checkpoint will be written to outprefix
        cycleid      - use given cycleid to create checkpoint file, default: cycleid=last cycle 
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  • 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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