#!/bin/bash

x=1
# please notice that this test is already done -> YSZ_Rcut_test : outputfiles

echo "Rcut   EPOT       EPOT_BMB    EPOT_Ewald  Ewald_Real   Ewald_Rec   Ewald_Self" > RcutTestResult

while [ $x -le 7 ] 
do
    y=$(( 2*$x - 1))
    z=$(( $x + 2 ))
    bin/bmb_gpp scripts/Work/ysz_Rcut_test.tcl $y $z

    A="runs/YSZ_Rcut_test/Cube3-0.93-$y/A.log"
    EPOT=`more $A | grep _EPOT | head -1 | cut -d ' ' -f5`
    EPOT_BMB=`more $A | grep _EPOT_BMB | cut -d ' ' -f5`
    EPOT_Ewald=`more $A | grep _EPOT_Ewald | head -1 | cut -d ' ' -f5`
    EPOT_Ewald_Real=`more $A | grep _EPOT_Ewald_Real | cut -d ' ' -f5`
    EPOT_Ewald_Rec=`more $A | grep _EPOT_Ewald_Rec | cut -d ' ' -f5`
    EPOT_Ewald_Self=`more $A | grep _EPOT_Ewald_Self | cut -d ' ' -f5`

    echo "${z:0:4}     ${EPOT:0:10}  ${EPOT_BMB:0:10} ${EPOT_Ewald:0:10}   ${EPOT_Ewald_Real:0:10}   ${EPOT_Ewald_Rec:0:10} ${EPOT_Ewald_Self:0:10}" >> RcutTestResult

    y=$(( 2*$x ))
    z="$(( $x + 2 )).5"
    bin/bmb_gpp scripts/Work/ysz_Rcut_test.tcl $y $z

    A="runs/YSZ_Rcut_test/Cube3-0.93-$y/A.log"
    EPOT=`more $A | grep _EPOT | head -1 | cut -d ' ' -f5`
    EPOT_BMB=`more $A | grep _EPOT_BMB | cut -d ' ' -f5`
    EPOT_Ewald=`more $A | grep _EPOT_Ewald | head -1 | cut -d ' ' -f5`
    EPOT_Ewald_Real=`more $A | grep _EPOT_Ewald_Real | cut -d ' ' -f5`
    EPOT_Ewald_Rec=`more $A | grep _EPOT_Ewald_Rec | cut -d ' ' -f5`
    EPOT_Ewald_Self=`more $A | grep _EPOT_Ewald_Self | cut -d ' ' -f5`

    echo "${z:0:4}   ${EPOT:0:10}  ${EPOT_BMB:0:10} ${EPOT_Ewald:0:10}   ${EPOT_Ewald_Real:0:10}   ${EPOT_Ewald_Rec:0:10} ${EPOT_Ewald_Self:0:10}" >> RcutTestResult

    x=`expr $x + 1`
done

while [ $x -le 13 ] 
do
    y=$(( 2*$x - 1))
    z=$(( $x + 2 ))
    bin/bmb_gpp scripts/Work/ysz_Rcut_test.tcl $y $z

    A="runs/YSZ_Rcut_test/Cube3-0.93-$y/A.log"
    EPOT=`more $A | grep _EPOT | head -1 | cut -d ' ' -f5`
    EPOT_BMB=`more $A | grep _EPOT_BMB | cut -d ' ' -f5`
    EPOT_Ewald=`more $A | grep _EPOT_Ewald | head -1 | cut -d ' ' -f5`
    EPOT_Ewald_Real=`more $A | grep _EPOT_Ewald_Real | cut -d ' ' -f5`
    EPOT_Ewald_Rec=`more $A | grep _EPOT_Ewald_Rec | cut -d ' ' -f5`
    EPOT_Ewald_Self=`more $A | grep _EPOT_Ewald_Self | cut -d ' ' -f5`

    echo "${z:0:4}    ${EPOT:0:10}  ${EPOT_BMB:0:10} ${EPOT_Ewald:0:10}   ${EPOT_Ewald_Real:0:10}   ${EPOT_Ewald_Rec:0:10} ${EPOT_Ewald_Self:0:10}" >> RcutTestResult

    y=$(( 2*$x ))
    z="$(( $x + 2 )).5"
    bin/bmb_gpp scripts/Work/ysz_Rcut_test.tcl $y $z

    A="runs/YSZ_Rcut_test/Cube3-0.93-$y/A.log"
    EPOT=`more $A | grep _EPOT | head -1 | cut -d ' ' -f5`
    EPOT_BMB=`more $A | grep _EPOT_BMB | cut -d ' ' -f5`
    EPOT_Ewald=`more $A | grep _EPOT_Ewald | head -1 | cut -d ' ' -f5`
    EPOT_Ewald_Real=`more $A | grep _EPOT_Ewald_Real | cut -d ' ' -f5`
    EPOT_Ewald_Rec=`more $A | grep _EPOT_Ewald_Rec | cut -d ' ' -f5`
    EPOT_Ewald_Self=`more $A | grep _EPOT_Ewald_Self | cut -d ' ' -f5`

    echo "${z:0:4}  ${EPOT:0:10}  ${EPOT_BMB:0:10} ${EPOT_Ewald:0:10}   ${EPOT_Ewald_Real:0:10}   ${EPOT_Ewald_Rec:0:10} ${EPOT_Ewald_Self:0:10}" >> RcutTestResult

    x=`expr $x + 1`
done