runXX.tcl

::pwtk::rerunDAVIDSON

::pwtk::rerunDAVIDSON

SYNOPSIS

proc ::pwtk::rerunDAVIDSON {args} {

USAGE

   rerunDAVIDSON ?OPTIONS?  INPUT  ?OUTPUT?  ?&?

PURPOSE

Re-run (restart) the turbo_davidson.x program. Prior to running, this routine will set the restart='restart'. The output-file will be treated in append mode, whereas the rest is the same as for the ::pwtk::runDAVIDSON routine.

OPTIONS

-bg --- run calculation in background (synonymous with "&" as the last argument)
-serial --- run the 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 turbo_davidson.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 turbo_davidson.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 turbo_davidson.x output will be stored
& --- (optional) run calculation in background (synonymous with the -bg option)

SOURCE

    # handle treatrun
    treat_run_ {*}$args

    input_pushpop {
        LR_INPUT { 
            restart = 'restart' 
        }

        # take care of plugins restart
        plugins_restart_ turbo_davidson.x
        
        set result [eval {runDAVIDSON -append} $args]
    }
    return $result
}

TABLE OF CONTENTS

::pwtk::rerunDAVIDSON