./src/run.tcl

::pwtk::rerunPW

::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

-serial == run calculation in serial mode (default = parallel)
-prefix == explicitly specify the prefix for parallel execution
-postfix == explicitly specify the postfix for parallel execution
-exec == 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)

SOURCE

    input_pushpop {
        CONTROL { 
            restart_mode = 'restart' 
        }
        
        # remove ignored options from $args
        set ignored_options {
            {outdir_clean  "ignored option"}
        }
        array set opt [::cmdline::getKnownOptions args $ignored_options]
        
        if { $opt(outdir_clean) } {
            ::pwtk::warning "ignoring the -outdir_clean option, which disables the proper restart"
        }
        
        eval {runPW -append} $args
    }
}

TABLE OF CONTENTS

::pwtk::rerunPW