[2696] | 1 | #!/bin/ksh |
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| 2 | # |
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[2699] | 3 | # run_kpp4palm - script for running gasphase preprocessor |
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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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| 11 | # |
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| 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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| 15 | # |
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| 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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[3487] | 27 | # |
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[2696] | 28 | # Former revisions: |
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| 29 | # ----------------- |
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[2699] | 30 | # $Id: run_kpp4palm.ksh 3487 2018-11-05 07:18:02Z Giersch $ |
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[3487] | 31 | # Some correctetion of comments |
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| 32 | # |
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| 33 | # 3458 2018-10-30 14:51:23Z kanani |
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[3298] | 34 | # passed $MECH insted of $DEFDIR to kpp4palm.ksh forkel 25. Sept. 2018 |
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| 35 | # re-activaded choice of deindexing method and vector mode forkel June 2018 |
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| 36 | # |
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| 37 | # 2718 2018-01-02 08:49:38Z maronga |
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[2699] | 38 | # Initial revision |
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| 39 | # |
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| 40 | # |
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[2696] | 41 | # |
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[2699] | 42 | # |
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| 43 | # Other notes: |
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| 44 | # ------------ |
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[2696] | 45 | # Small adaptations (added MECH as argument, re-introduced relative path, |
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| 46 | # adaption to changing kp4 to kpp4palm) |
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| 47 | # filename changed from run_kp4.ksh to run_kpp4palm.ksh |
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| 48 | # |
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| 49 | # Nov. 2016: Initial Version of KPP chemistry by Klaus Ketelsen |
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| 50 | # |
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| 51 | |
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| 52 | echo "\$1 = " $1 |
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| 53 | |
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| 54 | if [[ $1 == "clean" ]] |
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| 55 | then |
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| 56 | cd kpp |
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| 57 | make distclean |
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| 58 | cd .. |
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| 59 | |
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| 60 | cd kpp4palm |
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| 61 | make distclean |
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| 62 | cd .. |
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| 63 | exit |
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| 64 | fi |
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| 65 | |
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| 66 | export PATH=$PATH:`pwd`/kpp4palm/bin |
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| 67 | |
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| 68 | # build kpp |
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| 69 | |
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| 70 | cp mechanisms/UserRateLaws.f90 kpp/util |
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| 71 | cd kpp |
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| 72 | make |
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| 73 | cd .. |
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| 74 | |
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| 75 | # build kpp4palm.exe |
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| 76 | |
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| 77 | cd kpp4palm |
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| 78 | make install |
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| 79 | cd .. |
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| 80 | |
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[3298] | 81 | # run kpp4palm/bin/kpp4palm.ksh with the following Setup |
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| 82 | # -d DEFDIR=$OPTARG;; # directory of definition files |
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| 83 | # (passed as `pwd`/mechanisms/def_$MECH) |
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| 84 | # -m MECH="smog";; # chemical mechanism |
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| 85 | # (smog, simple, simplep, cbm4, phstat, passive, passive1) |
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| 86 | # -i DE_INDEX=2;; # deindexing method (0,1,2,3; 0=no deindexing) |
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| 87 | # -v MODE="-v";; # vector mode on (not working completely yet) |
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| 88 | # -l VLEN=$OPTARG;; # Set vector length (not working completely yet) |
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| 89 | # -k KEEP="NO";; # if "yes" keep Working directory |
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| 90 | # -u UPDT="NO";; # if "yes" update the existing f90 code in the def_MECH directory |
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| 91 | # # Use "YES" with care as the existing sample file is overwritten |
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| 92 | # |
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| 93 | ## Further options (not passed as changing does not make sense to change these) |
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| 94 | ## -f DE_INDEX_FAST="YES";; # if set, fast deindexing |
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| 95 | ## -o OUTDIR=$OPTARG;; # Output directory of Generated Code |
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| 96 | ## (`pwd`/../../../SOURCE) |
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| 97 | ## -p PREFIX=$OPTARG;; # Name Prefix (chem_gasphase_mod) |
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| 98 | ## -s KPP_SOLVER=$OPTARG;; # Name Prefix (rosenbrock) |
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[2696] | 99 | |
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| 100 | |
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| 101 | echo $PATH |
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| 102 | # use smog mechnism as default |
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| 103 | MECH=smog |
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[3298] | 104 | DEIN=2 |
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[2696] | 105 | |
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[3298] | 106 | while getopts m:i:kuvl: opt # get options |
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[2696] | 107 | do case $opt in |
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| 108 | m) MECH=$OPTARG;; # mechanism name as part of mechanisms/def_[mechanism_name] |
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| 109 | |
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[3298] | 110 | i) DEIN=$OPTARG;; # deindexing method (0,1,2,3; 0=no deindexing) |
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| 111 | |
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[2699] | 112 | k) KEEP="-k";; # keep Working directory |
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| 113 | |
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[3298] | 114 | u) UPDT="-u";; # update sample output file |
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| 115 | |
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| 116 | v) MODE="-v";; # vector mode on |
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| 117 | |
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| 118 | c) COPY="-c";; # copy output to def_MECH |
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| 119 | |
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| 120 | l) VLEN=$OPTARG;; # Set vector length |
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| 121 | |
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[2696] | 122 | \?) print ${0##*/} "unknown option:" $OPTARG |
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[3298] | 123 | print "USAGE: ${0##*/} [ -m mechanism_name] [ -i n (n=0,1,2,3)] [ -k] [ -u] [ -v] [ -l N (N=vector length)]" |
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[2696] | 124 | exit 1;; |
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| 125 | esac |
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| 126 | done |
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[3298] | 127 | echo Now do kpp4palm for $MECH |
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[2696] | 128 | |
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[3298] | 129 | # kpp4palm.ksh -d `pwd`/mechanisms/def_$MECH -i $DEIN $KEEP $UPDT $MODE -l $VLEN |
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| 130 | kpp4palm.ksh -m $MECH -i $DEIN $KEEP $UPDT $MODE -l $VLEN |
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