TABLE OF CONTENTS
::pwtk::runDAVIDSON
SYNOPSIS
proc ::pwtk::runDAVIDSON {args} {
USAGE
runDAVIDSON [options] input ?output?
Options are:
-append
-serial
-prefix
-postfix
-exec
-ihandle <value>
PURPOSE
Construct the turbo_davidson.x input file from the input data and run the turbo_davidson.x program.
OPTIONS
- -append == treat the output file in append mode (default = overwrite)
- -serial == run the 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 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
SOURCE
eval {makeInputRun_ ::pwtk::davi turbo_davidson} $args }