TABLE OF CONTENTS
::pwtk::rerunPW
SYNOPSIS
proc ::pwtk::rerunPW {args} {
USAGE
rerunPW ?OPTIONS? INPUT ?OUTPUT? ?&?
DESCRIPTION
Re-run (restart) the pw.x calculation. Prior to running, this routine will set the restart_mode='restart'. The output-file will be treated in append mode, whereas the rest is the same as for the ::pwtk::runPW routine.
OPTIONS
- -bg --- run calculation in background (synonymous with "&" as the last argument)
- -serial --- run calculation in serial mode (default = parallel)
- -prefix PREFIX --- explicitly specify the prefix for parallel execution
- -postfix POSTFIX --- explicitly specify the postfix for parallel execution
- -exec EXECUTABLE --- explicitly specify the pw.x executable
- -ihandle VALUE --- explicitly set the input handle (for the description of input handle, see ::pwtk::input_handle)
ARGUMENTS
- INPUT --- filename (or headname) to which the pw.x input file will be stored. The .in (.out) suffix will be added to headname for input (output) filename.
- OUTPUT --- (optional) filename to which the pw.x output will be stored (optional)
- & --- (optional) run calculation in background (synonymous with the -bg option)
SOURCE
# handle treatrun treat_run_ {*}$args input_pushpop { CONTROL { restart_mode = 'restart' } # take care of plugins restart plugins_restart_ pw.x #ENVIRON { # environ_restart = .true. #} # remove the outdir_clean option from $args as it prevents the true restart remove_the_outdir_clean_option_ set result [eval {runPW -append} $args] } return $result }