| 1 | subroutine moldiff(ngrid,nlayer,nq, |
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| 2 | & pplay,pplev,pt,pdt,pq,pdq,ptimestep, |
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| 3 | & zzlay,pdteuv,pdtconduc,pdqdiff) |
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| 4 | |
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| 5 | use tracer_mod, only: igcm_co2, igcm_co, igcm_o, igcm_o1d, |
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| 6 | & igcm_o2, igcm_o3, igcm_h, igcm_h2, igcm_oh, |
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| 7 | & igcm_ho2, igcm_h2o2, igcm_n2, igcm_ar, |
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| 8 | & igcm_h2o_vap, mmol |
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| 9 | use conc_mod, only: rnew, mmean |
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| 10 | USE comcstfi_h |
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| 11 | implicit none |
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| 12 | |
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| 13 | c |
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| 14 | c Input/Output |
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| 15 | c |
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| 16 | integer,intent(in) :: ngrid ! number of atmospheric columns |
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| 17 | integer,intent(in) :: nlayer ! number of atmospheric layers |
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| 18 | integer,intent(in) :: nq ! number of advected tracers |
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| 19 | real ptimestep |
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| 20 | real pplay(ngrid,nlayer) |
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| 21 | real zzlay(ngrid,nlayer) |
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| 22 | real pplev(ngrid,nlayer+1) |
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| 23 | real pq(ngrid,nlayer,nq) |
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| 24 | real pdq(ngrid,nlayer,nq) |
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| 25 | real pt(ngrid,nlayer) |
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| 26 | real pdt(ngrid,nlayer) |
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| 27 | real pdteuv(ngrid,nlayer) |
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| 28 | real pdtconduc(ngrid,nlayer) |
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| 29 | real pdqdiff(ngrid,nlayer,nq) |
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| 30 | c |
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| 31 | c Local |
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| 32 | c |
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| 33 | |
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| 34 | integer,parameter :: ncompmoldiff = 14 |
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| 35 | real hco2(ncompmoldiff),ho |
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| 36 | |
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| 37 | integer ig,nz,l,n,nn,iq |
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| 38 | real del1,del2, tmean ,dalfinvdz, d |
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| 39 | real hh,dcoef,dcoef1,ptfac, ntot, dens, dens2, dens3 |
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| 40 | real hp(nlayer) |
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| 41 | real tt(nlayer) |
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| 42 | real qq(nlayer,ncompmoldiff) |
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| 43 | real dmmeandz(nlayer) |
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| 44 | real qnew(nlayer,ncompmoldiff) |
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| 45 | real zlocal(nlayer) |
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| 46 | real alf(ncompmoldiff-1,ncompmoldiff-1) |
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| 47 | real alfinv(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 48 | real indx(ncompmoldiff-1) |
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| 49 | real b(nlayer,ncompmoldiff-1) |
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| 50 | real y(ncompmoldiff-1,ncompmoldiff-1) |
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| 51 | real aa(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 52 | real bb(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 53 | real cc(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 54 | real atri(nlayer-2) |
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| 55 | real btri(nlayer-2) |
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| 56 | real ctri(nlayer-2) |
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| 57 | real rtri(nlayer-2) |
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| 58 | real qtri(nlayer-2) |
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| 59 | real alfdiag(ncompmoldiff-1) |
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| 60 | real wi(ncompmoldiff), flux(ncompmoldiff), pote |
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| 61 | |
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| 62 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 63 | c tracer numbering in the molecular diffusion |
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| 64 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 65 | c Atomic oxygen must always be the LAST species of the list as |
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| 66 | c it is the dominant species at high altitudes. |
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| 67 | integer,parameter :: i_co = 1 |
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| 68 | integer,parameter :: i_n2 = 2 |
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| 69 | integer,parameter :: i_o2 = 3 |
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| 70 | integer,parameter :: i_co2 = 4 |
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| 71 | integer,parameter :: i_h2 = 5 |
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| 72 | integer,parameter :: i_h = 6 |
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| 73 | integer,parameter :: i_oh = 7 |
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| 74 | integer,parameter :: i_ho2 = 8 |
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| 75 | integer,parameter :: i_h2o = 9 |
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| 76 | integer,parameter :: i_h2o2 = 10 |
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| 77 | integer,parameter :: i_o1d = 11 |
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| 78 | integer,parameter :: i_o3 = 12 |
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| 79 | integer,parameter :: i_ar = 13 |
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| 80 | integer,parameter :: i_o = 14 |
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| 81 | |
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| 82 | ! Tracer indexes in the GCM: |
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| 83 | integer,save :: g_co2=0 |
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| 84 | integer,save :: g_co=0 |
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| 85 | integer,save :: g_o=0 |
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| 86 | integer,save :: g_o1d=0 |
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| 87 | integer,save :: g_o2=0 |
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| 88 | integer,save :: g_o3=0 |
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| 89 | integer,save :: g_h=0 |
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| 90 | integer,save :: g_h2=0 |
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| 91 | integer,save :: g_oh=0 |
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| 92 | integer,save :: g_ho2=0 |
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| 93 | integer,save :: g_h2o2=0 |
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| 94 | integer,save :: g_n2=0 |
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| 95 | integer,save :: g_ar=0 |
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| 96 | integer,save :: g_h2o=0 |
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| 97 | |
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| 98 | integer,save :: gcmind(ncompmoldiff) ! array of GCM indexes |
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| 99 | integer ierr |
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| 100 | |
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| 101 | logical,save :: firstcall=.true. |
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| 102 | real abfac(ncompmoldiff) |
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| 103 | real,save :: dij(ncompmoldiff,ncompmoldiff) |
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| 104 | |
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| 105 | !$OMP THREADPRIVATE(g_co2,g_co,g_o,g_o1d,g_o2,g_o3,g_h,g_h2) |
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| 106 | !$OMP THREADPRIVATE(g_oh,g_ho2,g_h2o2,g_n2,g_ar,g_h2o,gcmind) |
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| 107 | !$OMP THREADPRIVATE(firstcall,dij) |
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| 108 | |
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| 109 | ! Initializations at first call |
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| 110 | if (firstcall) then |
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| 111 | call moldiffcoeff(dij) |
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| 112 | print*,'MOLDIFF EXO' |
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| 113 | |
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| 114 | ! identify the indexes of the tracers we'll need |
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| 115 | g_co2=igcm_co2 |
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| 116 | if (g_co2.eq.0) then |
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| 117 | write(*,*) "moldiff: Error; no CO2 tracer !!!" |
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| 118 | stop |
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| 119 | endif |
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| 120 | g_co=igcm_co |
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| 121 | if (g_co.eq.0) then |
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| 122 | write(*,*) "moldiff: Error; no CO tracer !!!" |
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| 123 | stop |
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| 124 | endif |
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| 125 | g_o=igcm_o |
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| 126 | if (g_o.eq.0) then |
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| 127 | write(*,*) "moldiff: Error; no O tracer !!!" |
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| 128 | stop |
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| 129 | endif |
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| 130 | g_o1d=igcm_o1d |
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| 131 | if (g_o1d.eq.0) then |
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| 132 | write(*,*) "moldiff: Error; no O1D tracer !!!" |
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| 133 | stop |
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| 134 | endif |
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| 135 | g_o2=igcm_o2 |
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| 136 | if (g_o2.eq.0) then |
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| 137 | write(*,*) "moldiff: Error; no O2 tracer !!!" |
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| 138 | stop |
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| 139 | endif |
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| 140 | g_o3=igcm_o3 |
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| 141 | if (g_o3.eq.0) then |
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| 142 | write(*,*) "moldiff: Error; no O3 tracer !!!" |
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| 143 | stop |
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| 144 | endif |
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| 145 | g_h=igcm_h |
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| 146 | if (g_h.eq.0) then |
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| 147 | write(*,*) "moldiff: Error; no H tracer !!!" |
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| 148 | stop |
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| 149 | endif |
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| 150 | g_h2=igcm_h2 |
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| 151 | if (g_h2.eq.0) then |
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| 152 | write(*,*) "moldiff: Error; no H2 tracer !!!" |
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| 153 | stop |
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| 154 | endif |
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| 155 | g_oh=igcm_oh |
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| 156 | if (g_oh.eq.0) then |
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| 157 | write(*,*) "moldiff: Error; no OH tracer !!!" |
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| 158 | stop |
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| 159 | endif |
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| 160 | g_ho2=igcm_ho2 |
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| 161 | if (g_ho2.eq.0) then |
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| 162 | write(*,*) "moldiff: Error; no HO2 tracer !!!" |
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| 163 | stop |
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| 164 | endif |
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| 165 | g_h2o2=igcm_h2o2 |
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| 166 | if (g_h2o2.eq.0) then |
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| 167 | write(*,*) "moldiff: Error; no H2O2 tracer !!!" |
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| 168 | stop |
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| 169 | endif |
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| 170 | g_n2=igcm_n2 |
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| 171 | if (g_n2.eq.0) then |
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| 172 | write(*,*) "moldiff: Error; no N2 tracer !!!" |
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| 173 | stop |
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| 174 | endif |
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| 175 | g_ar=igcm_ar |
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| 176 | if (g_ar.eq.0) then |
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| 177 | write(*,*) "moldiff: Error; no AR tracer !!!" |
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| 178 | stop |
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| 179 | endif |
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| 180 | g_h2o=igcm_h2o_vap |
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| 181 | if (g_h2o.eq.0) then |
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| 182 | write(*,*) "moldiff: Error; no water vapor tracer !!!" |
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| 183 | stop |
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| 184 | endif |
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| 185 | |
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| 186 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 187 | c fill array to relate local indexes to gcm indexes |
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| 188 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 189 | |
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| 190 | gcmind(i_co) = g_co |
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| 191 | gcmind(i_n2) = g_n2 |
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| 192 | gcmind(i_o2) = g_o2 |
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| 193 | gcmind(i_co2) = g_co2 |
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| 194 | gcmind(i_h2) = g_h2 |
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| 195 | gcmind(i_h) = g_h |
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| 196 | gcmind(i_oh) = g_oh |
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| 197 | gcmind(i_ho2) = g_ho2 |
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| 198 | gcmind(i_h2o) = g_h2o |
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| 199 | gcmind(i_h2o2) = g_h2o2 |
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| 200 | gcmind(i_o1d) = g_o1d |
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| 201 | gcmind(i_o3) = g_o3 |
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| 202 | gcmind(i_o) = g_o |
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| 203 | gcmind(i_ar) = g_ar |
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| 204 | |
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| 205 | firstcall= .false. |
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| 206 | endif ! of if (firstcall) |
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| 207 | |
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| 208 | |
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| 209 | |
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| 210 | c |
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| 211 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 212 | |
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| 213 | nz=nlayer |
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| 214 | |
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| 215 | do ig=1,ngrid |
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| 216 | |
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| 217 | do l=2,nz-1 |
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| 218 | tt(l)=pt(ig,l)+pdt(ig,l)*ptimestep |
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| 219 | & +pdteuv(ig,l)*ptimestep |
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| 220 | & +pdtconduc(ig,l)*ptimestep |
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| 221 | |
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| 222 | do nn=1,ncompmoldiff |
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| 223 | qq(l,nn)=pq(ig,l,gcmind(nn))+pdq(ig,l,gcmind(nn))*ptimestep |
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| 224 | qq(l,nn)=max(qq(l,nn),1.e-30) |
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| 225 | enddo |
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| 226 | hp(l)=-log(pplay(ig,l+1)/pplay(ig,l-1)) |
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| 227 | dmmeandz(l)=(mmean(ig,l+1)-mmean(ig,l-1))/hp(l) |
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| 228 | enddo |
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| 229 | |
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| 230 | tt(1)=pt(ig,1) +pdt(ig,1)*ptimestep |
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| 231 | & +pdteuv(ig,1)*ptimestep |
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| 232 | & +pdtconduc(ig,1)*ptimestep |
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| 233 | tt(nz)=pt(ig,nz)+pdt(ig,nz)*ptimestep |
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| 234 | & +pdteuv(ig,nz)*ptimestep |
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| 235 | & +pdtconduc(ig,nz)*ptimestep |
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| 236 | |
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| 237 | do nn=1,ncompmoldiff |
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| 238 | qq(1,nn)=pq(ig,1,gcmind(nn))+pdq(ig,1,gcmind(nn))*ptimestep |
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| 239 | qq(nz,nn)=pq(ig,nz,gcmind(nn))+pdq(ig,nz,gcmind(nn))*ptimestep |
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| 240 | qq(1,nn)=max(qq(1,nn),1.e-30) |
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| 241 | qq(nz,nn)=max(qq(nz,nn),1.e-30) |
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| 242 | enddo |
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| 243 | hp(1)=-log(pplay(ig,2)/pplay(ig,1)) |
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| 244 | dmmeandz(1)=(-3.*mmean(ig,1)+4.*mmean(ig,2) |
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| 245 | & -mmean(ig,3))/(2.*hp(1)) |
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| 246 | hp(nz)=-log(pplay(ig,nz)/pplay(ig,nz-1)) |
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| 247 | dmmeandz(nz)=(3.*mmean(ig,nz)-4.*mmean(ig,nz-1) |
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| 248 | & +mmean(ig,nz-2))/(2.*hp(nz)) |
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| 249 | c |
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| 250 | c Setting-up matrix of alfa coefficients from Dickinson and Ridley 1972 |
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| 251 | c |
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| 252 | do l=1,nz |
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| 253 | if(abs(dmmeandz(l)) .lt. 1.e-5) dmmeandz(l)=0.0 |
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| 254 | hh=rnew(ig,l)*tt(l)/g |
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| 255 | ptfac=(1.e5/pplay(ig,l))*(tt(l)/273)**1.75 |
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| 256 | ntot=pplay(ig,l)/(1.381e-23*tt(l)) ! in #/m3 |
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| 257 | |
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| 258 | do nn=1,ncompmoldiff-1 ! rows |
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| 259 | alfdiag(nn)=0. |
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| 260 | dcoef1=dij(nn,i_o)*ptfac |
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| 261 | do n=1,ncompmoldiff-1 ! columns |
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| 262 | y(nn,n)=0. |
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| 263 | dcoef=dij(nn,n)*ptfac |
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| 264 | alf(nn,n)=qq(l,nn)/ntot/1.66e-27 |
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| 265 | & *(1./(mmol(gcmind(n))*dcoef)-1./(mmol(g_o)*dcoef1)) |
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| 266 | alfdiag(nn)=alfdiag(nn) |
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| 267 | & +(1./(mmol(gcmind(n))*dcoef)-1./(mmol(g_o)*dcoef1)) |
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| 268 | & *qq(l,n) |
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| 269 | enddo |
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| 270 | dcoef=dij(nn,nn)*ptfac |
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| 271 | alfdiag(nn)=alfdiag(nn) |
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| 272 | & -(1./(mmol(gcmind(nn))*dcoef)-1./(mmol(g_o)*dcoef1)) |
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| 273 | & *qq(l,nn) |
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| 274 | alf(nn,nn)=-(alfdiag(nn) |
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| 275 | & +1./(mmol(g_o)*dcoef1))/ntot/1.66e-27 |
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| 276 | y(nn,nn)=1. |
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| 277 | b(l,nn)=-(dmmeandz(l)/mmean(ig,l) |
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| 278 | & +mmol(gcmind(nn))/mmean(ig,l)-1.) |
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| 279 | enddo |
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| 280 | |
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| 281 | c |
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| 282 | c Inverting the alfa matrix |
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| 283 | c |
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| 284 | call ludcmp_sp(alf,ncompmoldiff-1,ncompmoldiff-1,indx,d,ierr) |
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| 285 | |
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| 286 | c TEMPORAIRE ***************************** |
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| 287 | if (ierr.ne.0) then |
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| 288 | write(*,*)'In moldiff: Problem in LUDCMP_SP with matrix alf' |
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| 289 | write(*,*) 'Singular matrix ?' |
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| 290 | c write(*,*) 'Matrix alf = ', alf |
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| 291 | write(*,*) 'ig, l=',ig, l |
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| 292 | write(*,*) 'No molecular diffusion this time !' |
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| 293 | pdqdiff(1:ngrid,1:nlayer,1:nq)=0 |
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| 294 | return |
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| 295 | c stop |
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| 296 | end if |
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| 297 | c ******************************************* |
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| 298 | do n=1,ncompmoldiff-1 |
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| 299 | call lubksb_sp(alf,ncompmoldiff-1,ncompmoldiff-1,indx,y(1,n)) |
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| 300 | do nn=1,ncompmoldiff-1 |
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| 301 | alfinv(l,nn,n)=y(nn,n)/hh |
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| 302 | enddo |
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| 303 | enddo |
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| 304 | enddo |
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| 305 | |
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| 306 | c |
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| 307 | c Calculating coefficients of the system |
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| 308 | c |
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| 309 | |
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| 310 | zlocal(1)=zzlay(ig,1) |
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| 311 | |
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| 312 | do l=2,nz-1 |
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| 313 | del1=hp(l)*pplay(ig,l)/(g*ptimestep) |
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| 314 | del2=(hp(l)/2)**2*pplay(ig,l)/(g*ptimestep) |
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| 315 | do nn=1,ncompmoldiff-1 |
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| 316 | do n=1,ncompmoldiff-1 |
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| 317 | dalfinvdz=(alfinv(l+1,nn,n)-alfinv(l-1,nn,n))/hp(l) |
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| 318 | aa(l,nn,n)=-dalfinvdz/del1+alfinv(l,nn,n)/del2 |
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| 319 | & +alfinv(l-1,nn,n)*b(l-1,n)/del1 |
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| 320 | bb(l,nn,n)=-2.*alfinv(l,nn,n)/del2 |
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| 321 | cc(l,nn,n)=dalfinvdz/del1+alfinv(l,nn,n)/del2 |
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| 322 | & -alfinv(l+1,nn,n)*b(l+1,n)/del1 |
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| 323 | enddo |
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| 324 | enddo |
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| 325 | |
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| 326 | zlocal(l)=zzlay(ig,l) |
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| 327 | enddo |
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| 328 | |
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| 329 | zlocal(nz)=zzlay(ig,nz) |
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| 330 | |
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| 331 | ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 332 | c Escape velocity from Jeans equation for the flux of H and H2 |
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| 333 | c (Hunten 1973, eq. 5) |
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| 334 | |
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| 335 | do n=1,ncompmoldiff |
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| 336 | wi(n)=1. |
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| 337 | flux(n)=0. |
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| 338 | abfac(n)=1. |
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| 339 | enddo |
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| 340 | |
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| 341 | dens=pplay(ig,nz)/(rnew(ig,nz)*tt(nz)) |
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| 342 | c |
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| 343 | c For H: |
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| 344 | c |
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| 345 | pote=(3398000.+zlocal(nz))/ |
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| 346 | & (1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h)*g)) |
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| 347 | wi(i_h)=sqrt(2.*1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h))) |
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| 348 | & /(2.*sqrt(3.1415))*(1.+pote)*exp(-pote) |
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| 349 | flux(i_h)=qq(nz,i_h)*dens/(1.6605e-27*mmol(g_h))*wi(i_h) |
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| 350 | flux(i_h)=flux(i_h)*1.6606e-27 |
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| 351 | abfac(i_h)=0. |
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| 352 | c |
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| 353 | c For H2: |
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| 354 | c |
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| 355 | pote=(3398000.+zlocal(nz))/ |
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| 356 | & (1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h2)*g)) |
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| 357 | wi(i_h2)=sqrt(2.*1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h2))) |
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| 358 | & /(2.*sqrt(3.1415))*(1.+pote)*exp(-pote) |
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| 359 | flux(i_h2)=qq(nz,i_h2)*dens/(1.6605e-27*mmol(g_h2))*wi(i_h2) |
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| 360 | flux(i_h2)=flux(i_h2)*1.6606e-27 |
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| 361 | abfac(i_h2)=0. |
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| 362 | |
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| 363 | c ********* TEMPORAIRE : no escape for h and h2 |
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| 364 | c do n=1,ncomptot |
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| 365 | c wi(n)=1. |
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| 366 | c flux(n)=0. |
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| 367 | c abfac(n)=1. |
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| 368 | c enddo |
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| 369 | c ******************************************** |
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| 370 | |
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| 371 | |
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| 372 | ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 373 | |
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| 374 | c |
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| 375 | c Setting coefficients for tridiagonal matrix and solving the system |
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| 376 | c |
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| 377 | |
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| 378 | do nn=1,ncompmoldiff-1 |
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| 379 | do l=2,nz-1 |
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| 380 | atri(l-1)=aa(l,nn,nn) |
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| 381 | btri(l-1)=bb(l,nn,nn)+1. |
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| 382 | ctri(l-1)=cc(l,nn,nn) |
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| 383 | rtri(l-1)=qq(l,nn) |
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| 384 | do n=1,ncompmoldiff-1 |
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| 385 | rtri(l-1)=rtri(l-1)-(aa(l,nn,n)*qq(l-1,n) |
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| 386 | & +bb(l,nn,n)*qq(l,n) |
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| 387 | & +cc(l,nn,n)*qq(l+1,n)) |
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| 388 | enddo |
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| 389 | rtri(l-1)=rtri(l-1)+(aa(l,nn,nn)*qq(l-1,nn) |
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| 390 | & +bb(l,nn,nn)*qq(l,nn) |
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| 391 | & +cc(l,nn,nn)*qq(l+1,nn)) |
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| 392 | enddo |
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| 393 | |
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| 394 | c |
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| 395 | c Boundary conditions: |
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| 396 | c Escape flux for H and H2 at top |
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| 397 | c Diffusive equilibrium for the other species at top |
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| 398 | c Perfect mixing for all at bottom |
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| 399 | c |
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| 400 | |
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| 401 | rtri(nz-2)=rtri(nz-2) |
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| 402 | & -ctri(nz-2)*flux(nn)*mmol(gcmind(nn))/(dens*wi(nn)) |
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| 403 | |
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| 404 | atri(nz-2)=atri(nz-2) |
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| 405 | & -abfac(nn)*ctri(nz-2)/(3.-2.*hp(nz)*b(nz,nn)) |
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| 406 | btri(nz-2)=btri(nz-2) |
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| 407 | & +abfac(nn)*4.*ctri(nz-2)/(3.-2.*hp(nz)*b(nz,nn)) |
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| 408 | |
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| 409 | c rtri(1)=rtri(1)-atri(1)*qq(1,nn) |
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| 410 | btri(1)=btri(1)+atri(1) |
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| 411 | |
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| 412 | call tridag_sp(atri,btri,ctri,rtri,qtri,nz-2) |
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| 413 | |
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| 414 | do l=2,nz-1 |
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| 415 | c qnew(l,nn)=qtri(l-1) |
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| 416 | qnew(l,nn)=max(qtri(l-1),1.e-30) |
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| 417 | enddo |
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| 418 | |
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| 419 | qnew(nz,nn)=flux(nn)*mmol(gcmind(nn))/(dens*wi(nn)) |
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| 420 | & +abfac(nn)*(4.*qnew(nz-1,nn)-qnew(nz-2,nn)) |
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| 421 | & /(3.-2.*hp(nz)*b(nz,nn)) |
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| 422 | c qnew(1,nn)=qq(1,nn) |
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| 423 | qnew(1,nn)=qnew(2,nn) |
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| 424 | |
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| 425 | qnew(nz,nn)=max(qnew(nz,nn),1.e-30) |
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| 426 | qnew(1,nn)=max(qnew(1,nn),1.e-30) |
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| 427 | |
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| 428 | enddo ! loop on species |
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| 429 | |
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| 430 | DO l=1,nz |
|---|
| 431 | if(zlocal(l).gt.65000.)then |
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| 432 | pdqdiff(ig,l,g_o)=0. |
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| 433 | do n=1,ncompmoldiff-1 |
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| 434 | pdqdiff(ig,l,gcmind(n))=(qnew(l,n)-qq(l,n)) |
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| 435 | pdqdiff(ig,l,g_o)=pdqdiff(ig,l,g_o)-(qnew(l,n)-qq(l,n)) |
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| 436 | pdqdiff(ig,l,gcmind(n))=pdqdiff(ig,l,gcmind(n))/ptimestep |
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| 437 | enddo |
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| 438 | pdqdiff(ig,l,g_o)=pdqdiff(ig,l,g_o)/ptimestep |
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| 439 | endif |
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| 440 | ENDDO |
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| 441 | |
|---|
| 442 | c do l=2,nz |
|---|
| 443 | c do n=1,ncomptot-1 |
|---|
| 444 | c hco2(n)=qnew(l,n)*pplay(ig,l)/(rnew(ig,l)*tt(l)) / |
|---|
| 445 | c & (qnew(l-1,n)*pplay(ig,l-1)/(rnew(ig,l-1)*tt(l-1))) |
|---|
| 446 | c hco2(n)=-(zlocal(l)-zlocal(l-1))/log(hco2(n))/1000. |
|---|
| 447 | c enddo |
|---|
| 448 | c write(225,*),l,pt(1,l),(hco2(n),n=1,6) |
|---|
| 449 | c write(226,*),l,pt(1,l),(hco2(n),n=7,12) |
|---|
| 450 | c enddo |
|---|
| 451 | |
|---|
| 452 | enddo ! ig loop |
|---|
| 453 | |
|---|
| 454 | return |
|---|
| 455 | end |
|---|
| 456 | |
|---|
| 457 | c ******************************************************************** |
|---|
| 458 | c ******************************************************************** |
|---|
| 459 | c ******************************************************************** |
|---|
| 460 | |
|---|
| 461 | subroutine tridag_sp(a,b,c,r,u,n) |
|---|
| 462 | c parameter (nmax=100) |
|---|
| 463 | c dimension gam(nmax),a(n),b(n),c(n),r(n),u(n) |
|---|
| 464 | real gam(n),a(n),b(n),c(n),r(n),u(n) |
|---|
| 465 | if(b(1).eq.0.)then |
|---|
| 466 | stop 'tridag_sp: error: b(1)=0 !!! ' |
|---|
| 467 | endif |
|---|
| 468 | bet=b(1) |
|---|
| 469 | u(1)=r(1)/bet |
|---|
| 470 | do 11 j=2,n |
|---|
| 471 | gam(j)=c(j-1)/bet |
|---|
| 472 | bet=b(j)-a(j)*gam(j) |
|---|
| 473 | if(bet.eq.0.) then |
|---|
| 474 | stop 'tridag_sp: error: bet=0 !!! ' |
|---|
| 475 | endif |
|---|
| 476 | u(j)=(r(j)-a(j)*u(j-1))/bet |
|---|
| 477 | 11 continue |
|---|
| 478 | do 12 j=n-1,1,-1 |
|---|
| 479 | u(j)=u(j)-gam(j+1)*u(j+1) |
|---|
| 480 | 12 continue |
|---|
| 481 | return |
|---|
| 482 | end |
|---|
| 483 | |
|---|
| 484 | c ******************************************************************** |
|---|
| 485 | c ******************************************************************** |
|---|
| 486 | c ******************************************************************** |
|---|
| 487 | |
|---|
| 488 | SUBROUTINE LUBKSB_SP(A,N,NP,INDX,B) |
|---|
| 489 | |
|---|
| 490 | implicit none |
|---|
| 491 | |
|---|
| 492 | integer i,j,n,np,ii,ll |
|---|
| 493 | real sum |
|---|
| 494 | real a(np,np),indx(np),b(np) |
|---|
| 495 | |
|---|
| 496 | c DIMENSION A(NP,NP),INDX(N),B(N) |
|---|
| 497 | II=0 |
|---|
| 498 | DO 12 I=1,N |
|---|
| 499 | LL=INDX(I) |
|---|
| 500 | SUM=B(LL) |
|---|
| 501 | B(LL)=B(I) |
|---|
| 502 | IF (II.NE.0)THEN |
|---|
| 503 | DO 11 J=II,I-1 |
|---|
| 504 | SUM=SUM-A(I,J)*B(J) |
|---|
| 505 | 11 CONTINUE |
|---|
| 506 | ELSE IF (SUM.NE.0.) THEN |
|---|
| 507 | II=I |
|---|
| 508 | ENDIF |
|---|
| 509 | B(I)=SUM |
|---|
| 510 | 12 CONTINUE |
|---|
| 511 | DO 14 I=N,1,-1 |
|---|
| 512 | SUM=B(I) |
|---|
| 513 | IF(I.LT.N)THEN |
|---|
| 514 | DO 13 J=I+1,N |
|---|
| 515 | SUM=SUM-A(I,J)*B(J) |
|---|
| 516 | 13 CONTINUE |
|---|
| 517 | ENDIF |
|---|
| 518 | B(I)=SUM/A(I,I) |
|---|
| 519 | 14 CONTINUE |
|---|
| 520 | RETURN |
|---|
| 521 | END |
|---|
| 522 | |
|---|
| 523 | c ******************************************************************** |
|---|
| 524 | c ******************************************************************** |
|---|
| 525 | c ******************************************************************** |
|---|
| 526 | |
|---|
| 527 | SUBROUTINE LUDCMP_SP(A,N,NP,INDX,D,ierr) |
|---|
| 528 | |
|---|
| 529 | implicit none |
|---|
| 530 | |
|---|
| 531 | integer n,np,nmax,i,j,k,imax |
|---|
| 532 | real d,tiny,aamax |
|---|
| 533 | real a(np,np),indx(np) |
|---|
| 534 | integer ierr ! error =0 if OK, =1 if problem |
|---|
| 535 | |
|---|
| 536 | PARAMETER (NMAX=100,TINY=1.0E-20) |
|---|
| 537 | c DIMENSION A(NP,NP),INDX(N),VV(NMAX) |
|---|
| 538 | real sum,vv(nmax),dum |
|---|
| 539 | |
|---|
| 540 | D=1. |
|---|
| 541 | DO 12 I=1,N |
|---|
| 542 | AAMAX=0. |
|---|
| 543 | DO 11 J=1,N |
|---|
| 544 | IF (ABS(A(I,J)).GT.AAMAX) AAMAX=ABS(A(I,J)) |
|---|
| 545 | 11 CONTINUE |
|---|
| 546 | IF (AAMAX.EQ.0.) then |
|---|
| 547 | write(*,*) 'In moldiff: Problem in LUDCMP_SP with matrix A' |
|---|
| 548 | write(*,*) 'Singular matrix ?' |
|---|
| 549 | c write(*,*) 'Matrix A = ', A |
|---|
| 550 | c TO DEBUG : |
|---|
| 551 | ierr =1 |
|---|
| 552 | return |
|---|
| 553 | c stop |
|---|
| 554 | END IF |
|---|
| 555 | |
|---|
| 556 | VV(I)=1./AAMAX |
|---|
| 557 | 12 CONTINUE |
|---|
| 558 | DO 19 J=1,N |
|---|
| 559 | IF (J.GT.1) THEN |
|---|
| 560 | DO 14 I=1,J-1 |
|---|
| 561 | SUM=A(I,J) |
|---|
| 562 | IF (I.GT.1)THEN |
|---|
| 563 | DO 13 K=1,I-1 |
|---|
| 564 | SUM=SUM-A(I,K)*A(K,J) |
|---|
| 565 | 13 CONTINUE |
|---|
| 566 | A(I,J)=SUM |
|---|
| 567 | ENDIF |
|---|
| 568 | 14 CONTINUE |
|---|
| 569 | ENDIF |
|---|
| 570 | AAMAX=0. |
|---|
| 571 | DO 16 I=J,N |
|---|
| 572 | SUM=A(I,J) |
|---|
| 573 | IF (J.GT.1)THEN |
|---|
| 574 | DO 15 K=1,J-1 |
|---|
| 575 | SUM=SUM-A(I,K)*A(K,J) |
|---|
| 576 | 15 CONTINUE |
|---|
| 577 | A(I,J)=SUM |
|---|
| 578 | ENDIF |
|---|
| 579 | DUM=VV(I)*ABS(SUM) |
|---|
| 580 | IF (DUM.GE.AAMAX) THEN |
|---|
| 581 | IMAX=I |
|---|
| 582 | AAMAX=DUM |
|---|
| 583 | ENDIF |
|---|
| 584 | 16 CONTINUE |
|---|
| 585 | IF (J.NE.IMAX)THEN |
|---|
| 586 | DO 17 K=1,N |
|---|
| 587 | DUM=A(IMAX,K) |
|---|
| 588 | A(IMAX,K)=A(J,K) |
|---|
| 589 | A(J,K)=DUM |
|---|
| 590 | 17 CONTINUE |
|---|
| 591 | D=-D |
|---|
| 592 | VV(IMAX)=VV(J) |
|---|
| 593 | ENDIF |
|---|
| 594 | INDX(J)=IMAX |
|---|
| 595 | IF(J.NE.N)THEN |
|---|
| 596 | IF(A(J,J).EQ.0.)A(J,J)=TINY |
|---|
| 597 | DUM=1./A(J,J) |
|---|
| 598 | DO 18 I=J+1,N |
|---|
| 599 | A(I,J)=A(I,J)*DUM |
|---|
| 600 | 18 CONTINUE |
|---|
| 601 | ENDIF |
|---|
| 602 | 19 CONTINUE |
|---|
| 603 | IF(A(N,N).EQ.0.)A(N,N)=TINY |
|---|
| 604 | ierr =0 |
|---|
| 605 | RETURN |
|---|
| 606 | END |
|---|
| 607 | |
|---|
