readforward

Description

This command manages the execution of readforward.x.

Synopsis

turbogenius readforward [ACTION] [OPTIONS]

ACTION is one or any combination of -g (generate an input file), -r (run a program), or -post (perform postprocess). It is mandatory.

turbogenius readforward --help

This command shows the list of available options.

Options

general option

This option affects all actions.

option

default value

description

-log TEXT

INFO

Specify log level. The argument is DEBUG, INFO, or ERROR.

generate (-g) options

These options affect the generation of the input file. The correspondence between the options and the input parameters are described in the note section.

option

default value

description

-corr

true

flag for performing correlated sampling. To disable correlated sampling, specify -no-corr.

-bin INTEGER

1

Specify bin_block

-warmup INTEGER

1

Specify warmupblocks

Environment variables

TURBOREADFORWARD_RUN_COMMAND

This specifies the execution command used in the DFT calculation. The default is readforward-serial.x. If the MPI parallel version is to be used, set the variable, for example, to mpiexec -n 16 readforward-mpi.x, where mpiexec is the MPI launch command, and -n 16 specifies the number of MPI processes (16 in this case).

Input and output files

This subcommand generates prep.input, each variable is described in turborvbtutorial_command_prep.x.

action

input

output

rename

-g

  • fort.10

  • pseudo.dat

  • readforward.input

  • readforward_genius_cli.pkl

-r

  • fort.10

  • pseudo.dat

  • readforward.input

  • readforward_genius_cli.pkl

  • out_readforward

-post

  • out_readforward

  • readforward_genius_cli.pkl

Note

Corresponding input parameters

The correspondence between the options and the input parameters in readforward.input is summarized as follows.

turbogenius option

section

paramter

corr_sampling (-corr)

&corrfun

correlated_samp

bin_block (-bin)

&corrfun

bin_length

warmupblocks (-warmup)

&corrfun

initial_bin