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  • Output files

Last edited by Gabriel Wlazłowski Jun 17, 2021
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Output files

Copying results to a new location

If you want to copy results to a new location it is sufficient to execute

cp outprefix* new-location

where outprefix stands for string provided in input file.

NOTE: this command most likely will display a warning:

cp: -r not specified; omitting directory 'outprefix'

In the folder outprefix the code stores checkpoint files and wave-functions. Since it contains a lot of data (in many cases measured in TB) by default we skip copy of it.

If you want to copy the complete dataset to new location (including checkpoint files, and wave-functions) you need to execute:

cp -r outprefix* new-location

List of output files

file name content comment
outprefix.wtxt Metdata file of W-DATA format It is txt file.
See for more W-data format
outprefix_variable.wdat Binary files with saved variables. See for more W-data format
outprefix.wlog Log file It is txt file.
See for more Logger
outprefix_check.stamp File with control sums It is txt
outprefix_input.txt Copy of used input file
outprefix_predefines.h Copy of used for compilation predefines.h file
outprefix_problem-definition.h Copy of used for compilation problem-definition.h file
outprefix_logger.h Copy of used for compilation logger.h file
outprefix/ Folder with checkpoint and wave-functions This folder main contains a lot of data.
Its content depends on flags in input file.
outprefix/checkpoint.sxdpca Binary file with checkpoint for st code. x stands for the code dimensionality. The file is generated when checkpoint 1. This is the only file requested by the st code when starting with inittype 5.
outprefix/uniform.solution Binary file with a solution for uniform system File is generated only if inittype 5 and init0save 1.
outprefix/sxdpca* Binary files with wave-functions produced by st codes. x stands for the code dimensionality. The files are generated only if writewf 1.
outprefix/checkpoint_* Checkpoint files produced by td code These are binary files with evolved wave-functions. They are generated when checkpoint 1. These files are requested by the td code when starting with inittype 5.
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  • API version
  • Automatic interpolations
  • Auxiliary tools
  • Browsing the code
  • Broyden algorithm
  • C and CUDA
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  • 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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