set REDScript = REDv4-redserver2010.pl

set NODES = `cat $PBS_NODEFILE`
set NPROCS = `wc -l < $PBS_NODEFILE`
# Define $NP in R.E.D.-IV as set in PBS
perl -i -ple '$_ = "\$NP = \"'$NPROCS'\";  # Number of processor(s) used in parallel" if m/Number of processor/; close ARGV if eof' $REDScript

if ($QMSOFT == GAMESS) then
        # Define generalities
        set SOFTPATH = /usr/local
        # SBMRI or UPJV
        set Institute = UPJV
        set QMCLSOFT = "gamess"

        # Define the GAMESS scratch directory - $PBS_JOBID is a PBS variable automatically incremented
        setenv GAMESS_SCRDIR /tmp/R.E.D.IV-$PBS_JOBID

        # Create specific a GAMESS rungms script for each PBS job
        set X = 1;
        set filegamess = "$SOFTPATH/$QMCLSOFT/rungms";
        while (-e $filegamess$X)
                @ X++;
        end
        cp -f $SOFTPATH/$QMCLSOFT/rungms.RED-Server $SOFTPATH/$QMCLSOFT/rungms$X
        # Save the name of this rungms file so that we transfert this info to R.E.D.
        # Here, R.E.D. has to be modified so that it is going to read "rungms.info" to get info about which rungms$X to execute...
        echo rungms$X > $SOFTPATH/$QMCLSOFT/rungms.info
        # R.E.D. automatically gets the scratch path from this rungms file for each PBS job
        perl -pi -e "s/ZZZZZZ/R.E.D.IV-$PBS_JOBID/g" $SOFTPATH/$QMCLSOFT/rungms$X

        # Define the path to the binaries
        set path = ($SOFTPATH/$QMCLSOFT $SOFTPATH/resp-2.2 $path)
endif