./src/queue.tcl

::pwtk::queue::rerunPW

::pwtk::queue::rerunPW

SYNOPSIS

proc ::pwtk::queue::rerunPW {queueSystem head} {

PURPOSE

Rerun the pw.x program via queueSystem. The difference compared to runPW is:

the restart_mode = 'restart'
the output file should be appended, i.e. use >> redirection

ARGUMENTS

queueSystem -- name of batch queuing system (e.g. slurm, ll, lsf, ...)
head -- rootname of the input file (for example the rootname of file.inp is file)

SOURCE

    variable scriptBody

    set head [::pwtk::headname $head {.in .inp}]
    set ihandle [::pwtk::input_handle]

    # The difference from runPW and rerunPW is:
    #
    # 1. the restart_mode MUST BE 'restart'
    # 2. the output file should be appended, i.e. use >> redirection
    #

    CONTROL { restart_mode = 'restart' }

    ::pwtk::pwi_fprint $head.in
    
    # shell-script for running above input
    set script_ {
\$PREFIX \$PW \$POSTFIX $ihandle $head.in >> $head.out
    }

    append scriptBody($queueSystem) "[subst -nocommands $script_]\n"
}

TABLE OF CONTENTS

::pwtk::queue::rerunPW