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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

(R - results, RP - reproducibility pack)

file name content comment type
outprefix.wtxt Metdata file of W-DATA format It is txt file.
See for more W-data format
R
outprefix_variable.wdat Binary files with saved variables. See for more W-data format R
outprefix.wlog Log file It is txt file.
See for more Logger
R
outprefix_check.stamp File with control sums It is txt R
outprefix_input.txt Copy of used input file RP
outprefix_predefines.h Copy of used for compilation predefines.h file RP
outprefix_problem-definition.h Copy of used for compilation problem-definition.h file RP
outprefix_logger.h Copy of used for compilation logger.h file RP
outprefix_checkpoint.dat Binary file with checkpoint for st code. The file is generated when checkpoint 1. This is the only file requested by the st code when starting with inittype 5. R
outprefix_checkpoint.dat.init Binary file with checkpoint for st code used as input (st codes only) The file is generated when inittype 5. RP
outprefix_extra_data.dat Binary file with the extra_data array. The file is generated only if get_extra_data_size returns non-zero value. RP
outprefix_reprowf.tar Tar file with reproducibility pack for restoring input wave-functions (td codes only) The file is generated when inittype=1,2,3. RP
outprefix/ Folder with checkpoint and wave-functions This folder main contains a lot of data.
Its content depends on flags in input file.
R
outprefix/checkpoint.sxdpca Binary file with checkpoint for st code. DEPRECATED 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. DEPRECATED R
outprefix/uniform.solution Binary file with a solution for uniform system File is generated only if inittype 5 and init0save 1. R
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. R
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. R
outprefix/reprowf.tar Reproducibility for wave-functions (st-codes only) This tar file contains all info needed to recreate stored wave-functions. Generated when writewf 1 RP
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  • API version
  • Automatic interpolations
  • Auxiliary tools
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  • Broyden algorithm
  • C and CUDA
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