[2696] | 1 | #!/usr/bin/ksh |
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| 2 | |
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[2699] | 3 | # kpp4palm - script for creating gasphase module |
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| 4 | |
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| 5 | #------------------------------------------------------------------------------# |
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| 6 | # This file is part of the PALM model system. |
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[2696] | 7 | # |
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[2699] | 8 | # PALM is free software: you can redistribute it and/or modify it under the terms |
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| 9 | # of the GNU General Public License as published by the Free Software Foundation, |
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| 10 | # either version 3 of the License, or (at your option) any later version. |
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[2696] | 11 | # |
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[2699] | 12 | # PALM is distributed in the hope that it will be useful, but WITHOUT ANY |
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| 13 | # WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR |
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| 14 | # A PARTICULAR PURPOSE. See the GNU General Public License for more details. |
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[2696] | 15 | # |
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[2699] | 16 | # You should have received a copy of the GNU General Public License along with |
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| 17 | # PALM. If not, see <http://www.gnu.org/licenses/>. |
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| 18 | # |
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[2718] | 19 | # Copyright 2017-2018 Klaus Ketelsen and MPI-CH (April 2007) |
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| 20 | # Copyright 2017-2018 Karlsruhe Institute of Technology |
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| 21 | # Copyright 2017-2018 Leibniz Universitaet Hannover |
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[2699] | 22 | #------------------------------------------------------------------------------# |
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| 23 | # |
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[2696] | 24 | # Current revisions: |
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| 25 | # ------------------ |
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| 26 | # |
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| 27 | # |
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| 28 | # Former revisions: |
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| 29 | # ----------------- |
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[2699] | 30 | # $Id: kpp4palm.ksh 2718 2018-01-02 08:49:38Z maronga $ |
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| 31 | # Initial revision |
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| 32 | # |
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| 33 | # |
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[2696] | 34 | # |
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[2699] | 35 | # |
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| 36 | # Other notes: |
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| 37 | # ------------# |
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[2696] | 38 | # Re-introduced relative path for KPP_HOME |
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| 39 | # Subroutine list adapted to lowercase subroutine names |
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| 40 | # Added arr2, removed update_sun and k_3rd from subroutine list |
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| 41 | # Renamed output file to chem_gasphase_mod |
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| 42 | # Renamed this fikle from kp4/ksh to kpp4kpp.ksh |
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| 43 | # changed location of def_mechanism directories to GASPHASE_PREPROC/mechanisms |
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| 44 | # |
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| 45 | # Nov. 2016: Initial Version of KPP chemistry convertor by Klaus Ketelsen |
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| 46 | # |
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| 47 | # |
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| 48 | |
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| 49 | set -eu |
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| 50 | |
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| 51 | |
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| 52 | ########################### User SetUp #################################### |
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| 53 | |
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| 54 | export KPP_HOME=`pwd`/kpp |
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| 55 | export KPP=$KPP_HOME/bin/kpp |
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| 56 | |
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| 57 | BASE=`pwd`/kpp4palm |
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| 58 | |
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| 59 | ########################## End User Setup ################################ |
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| 60 | |
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| 61 | WORK=tmp_kpp4palm |
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| 62 | |
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| 63 | # Default |
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| 64 | |
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[2699] | 65 | OUTDIR=`pwd`/../../../SOURCE |
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[2696] | 66 | OUTFILE=chem_gasphase_mod |
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| 67 | DEFDIR=`pwd`/mechanisms/def_smog |
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| 68 | PREFIX=chem_gasphase_mod |
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| 69 | MODE="scalar" |
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| 70 | VLEN=1 |
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| 71 | KEEP="NO" |
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| 72 | DE_INDEX="NO" |
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| 73 | DE_INDEX_FAST="NO" |
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| 74 | |
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| 75 | export KPP_SOLVER=Rosenbrock |
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| 76 | |
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| 77 | # get Command line option |
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| 78 | |
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| 79 | echo xxxxxxxxxx |
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| 80 | while getopts :d:ifkp:o:s:v:w: c # get options |
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| 81 | do case $c in |
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| 82 | d) DEFDIR=$OPTARG;; # directory of definition files |
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| 83 | |
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| 84 | i) DE_INDEX="YES";; # if set, deindexing |
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| 85 | |
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| 86 | f) DE_INDEX_FAST="YES";; # if set, fast deindexing |
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| 87 | |
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| 88 | k) KEEP="YES";; # keep Working directory |
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| 89 | |
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| 90 | o) OUTDIR=$OPTARG;; # Output directory of Generated Code |
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| 91 | |
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| 92 | p) PREFIX=$OPTARG;; # Name Prefix |
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| 93 | |
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| 94 | s) KPP_SOLVER=$OPTARG;; # Name Prefix |
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| 95 | |
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| 96 | v) MODE="vector" |
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| 97 | VLEN=$OPTARG;; # Set to vector Mode |
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| 98 | |
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| 99 | w) WORK=$OPTARG;; # Working directory |
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| 100 | |
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| 101 | \?) print ${0##*/} "unknown option:" $OPTARG |
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| 102 | print "USAGE: ${0##*/} [ -d dir -e -k -o dir -p name -s solver -v length -w dir ] " |
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| 103 | exit 1;; |
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| 104 | esac |
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| 105 | done |
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| 106 | shift OPTIND-1 |
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| 107 | |
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| 108 | echo $DEFDIR |
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| 109 | |
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| 110 | DEF_PREFIX=${PREFIX}.kpp |
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| 111 | |
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| 112 | # Create or clean working directory |
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| 113 | |
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| 114 | MY_PWD=`pwd` |
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| 115 | mkdir -p $WORK |
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| 116 | rm -rf $WORK/* |
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| 117 | cd $WORK |
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| 118 | |
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| 119 | # kpp dependend, may be changed |
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| 120 | |
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| 121 | KPP_FILE_LIST="Initialize Integrator LinearAlgebra Jacobian Function Rates Util" |
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| 122 | |
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| 123 | |
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| 124 | KPP_SUBROUTINE_LIST="initialize" |
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| 125 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST integrate fun" |
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| 126 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST kppsolve kppdecomp wlamch wlamch_add" |
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| 127 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST jac_sp k_arr " |
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| 128 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST update_rconst arr2" |
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| 129 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST initialize_kpp_ctrl error_output" |
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| 130 | |
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| 131 | # if [[ $MODE = "vector" && $KPP_SOLVER = "ROS2" ]] |
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| 132 | # then |
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| 133 | # cp $BASE/templates/${KPP_SOLVER}_vec.f90 ${KPP_SOLVER}.f90 # get vector Solver |
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| 134 | # else |
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| 135 | # # KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST FunTemplate JacTemplate Update_SUN " |
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| 136 | # KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST WCOPY WSCAL WAXPY" |
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| 137 | # if [[ $MODE = "vector" ]] |
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| 138 | # then |
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| 139 | # cp $BASE/templates/${KPP_SOLVER}_vec.f90 ${KPP_SOLVER}.f90 # get vector Solver |
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| 140 | # else |
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| 141 | # KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST Rosenbrock FunTemplate JacTemplate Update_SUN" |
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| 142 | # fi |
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| 143 | # fi |
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| 144 | if [[ $MODE = "vector" ]] |
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| 145 | then |
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| 146 | # get vector Solver |
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| 147 | cp $BASE/templates/${KPP_SOLVER}_vec.f90 ${KPP_SOLVER}.f90 |
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| 148 | fi |
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| 149 | |
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| 150 | # Interface ignore list |
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| 151 | KPP_INTERFACE_IGNORE="waxpy wcopy" |
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| 152 | |
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| 153 | case $KPP_SOLVER in |
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| 154 | ROS2) ;; |
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| 155 | |
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| 156 | Rosenbrock) |
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| 157 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST wcopy wscal waxpy" |
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| 158 | if [[ $MODE != "vector" ]] |
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| 159 | then |
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| 160 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST rosenbrock funtemplate jactemplate" |
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| 161 | fi;; |
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| 162 | |
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| 163 | rosenbrock_mz) |
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| 164 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST WCOPY WSCAL WAXPY" |
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| 165 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST Rosenbrock FunTemplate JacTemplate Update_SUN";; |
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| 166 | |
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| 167 | rosenbrock) |
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| 168 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST WCOPY WSCAL WAXPY" |
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| 169 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST rosenbrock funtemplate jactemplate";; |
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| 170 | |
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| 171 | kpp_lsode) |
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| 172 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST WCOPY WSCAL WAXPY" |
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| 173 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST KppLsode DLSODE JAC_CHEM FUN_CHEM" |
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| 174 | KPP_INTERFACE_IGNORE="$KPP_INTERFACE_IGNORE JAC_CHEM KppDecomp KppSolve";; |
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| 175 | |
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| 176 | kpp_radau5) |
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| 177 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST WCOPY WSCAL WAXPY FUN_CHEM JAC_CHEM SET2ZERO" |
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| 178 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST RADAU5 Update_SUN" |
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| 179 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST KppSolveCmplx KppDecompCmplx";; |
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| 180 | |
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| 181 | kpp_sdirk) |
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| 182 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST WCOPY WSCAL WAXPY" |
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| 183 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST SDIRK JAC_CHEM SET2ZERO FUN_CHEM" |
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| 184 | KPP_INTERFACE_IGNORE="$KPP_INTERFACE_IGNORE Set2zero SET2ZERO FUN_CHEM";; |
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| 185 | |
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| 186 | kpp_seulex) |
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| 187 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST WCOPY WSCAL WAXPY" |
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| 188 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST ATMSEULEX" |
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| 189 | KPP_SUBROUTINE_LIST="$KPP_SUBROUTINE_LIST SEULEX_ErrorMsg SEULEX_Integrator FUN_CHEM JAC_CHEM SEUL" |
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| 190 | KPP_INTERFACE_IGNORE="$KPP_INTERFACE_IGNORE SEULEX_Integrator SDIRK FUN_CHEM SEUL";; |
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| 191 | |
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| 192 | \?) print "SORRY ONLY ROSENBROCK METHODS WORK AT THE MOMENT:" $KPP_SOLVER |
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| 193 | exit 1;; |
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| 194 | esac |
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| 195 | #mz-ak-20070509+ |
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| 196 | |
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| 197 | KPP_INCLUDE_LIST="Parameters Global JacobianSP Monitor" |
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| 198 | |
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| 199 | #Get definition Files |
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| 200 | |
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| 201 | cp $DEFDIR/*.eqn . |
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| 202 | cp $DEFDIR/*.spc . |
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| 203 | cp $DEFDIR/${PREFIX}.kpp . |
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| 204 | |
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| 205 | # Run kpp |
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| 206 | |
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| 207 | $KPP $DEF_PREFIX |
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| 208 | |
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| 209 | # Get templates for C++ program |
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| 210 | |
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| 211 | cp $BASE/templates/module_header* . # Use fixed Module_header |
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| 212 | cp $BASE/templates/initialize_kpp_ctrl_template.f90 . # CTRL kpp time stepping |
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| 213 | |
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| 214 | # file with subroutine list for c++ program create_kpp_module |
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| 215 | |
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| 216 | for i in $KPP_FILE_LIST |
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| 217 | do |
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| 218 | echo ${PREFIX}_${i} >> file_list |
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| 219 | done |
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| 220 | echo initialize_kpp_ctrl_template >> file_list |
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| 221 | |
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| 222 | # file with subroutine list for c++ program create_kpp_module |
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| 223 | |
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| 224 | for i in $KPP_SUBROUTINE_LIST |
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| 225 | do |
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| 226 | echo $i >> subroutine_list |
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| 227 | done |
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| 228 | |
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| 229 | # file with include list for c++ program create_kpp_module |
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| 230 | |
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| 231 | for i in $KPP_INCLUDE_LIST |
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| 232 | do |
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| 233 | echo ${PREFIX}_${i} >> include_list |
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| 234 | done |
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| 235 | |
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| 236 | touch interface_ignore_list |
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| 237 | for i in $KPP_INTERFACE_IGNORE |
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| 238 | do |
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| 239 | echo $i >> interface_ignore_list |
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| 240 | done |
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| 241 | |
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| 242 | $BASE/bin/kpp4palm.exe $PREFIX $MODE $VLEN $DE_INDEX $DE_INDEX_FAST |
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| 243 | |
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| 244 | |
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| 245 | if [[ -e $OUTDIR/${OUTFILE}.f90 ]] |
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| 246 | then |
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| 247 | mv $OUTDIR/${OUTFILE}.f90 $OUTDIR/${OUTFILE}.f90.sav |
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| 248 | fi |
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| 249 | cp -p kk_kpp.f90 $OUTDIR/${OUTFILE}.f90 |
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| 250 | #cp -p kk_kpp.f90 $MY_PWD/../SOURCE/${OUTFILE}.f90 |
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| 251 | |
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| 252 | echo " " |
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| 253 | echo "Write kpp module -- > " $OUTDIR/${OUTFILE}.f90 |
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| 254 | |
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| 255 | if [[ $KEEP = "NO" ]] |
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| 256 | then |
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| 257 | cd $MY_PWD |
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| 258 | rm -rf $WORK |
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| 259 | fi |
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| 260 | exit |
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| 261 | |
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