| 1 | module moldiff_mod |
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| 2 | |
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| 3 | implicit none |
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| 4 | |
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| 5 | contains |
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| 6 | |
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| 7 | subroutine moldiff(ngrid,nlayer,nq, |
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| 8 | & pplay,pplev,pt,pdt,pq,pdq,ptimestep, |
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| 9 | & zzlay,pdteuv,pdtconduc,pdqdiff) |
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| 10 | |
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| 11 | use tracer_mod, only: igcm_co2, igcm_co, igcm_o, igcm_o1d, |
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| 12 | & igcm_o2, igcm_o3, igcm_h, igcm_h2, igcm_oh, |
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| 13 | & igcm_ho2, igcm_h2o2, igcm_n2, igcm_ar, |
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| 14 | & igcm_h2o_vap, mmol |
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| 15 | use conc_mod, only: rnew, mmean |
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| 16 | use comcstfi_h, only: g |
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| 17 | use moldiffcoeff_mod, only: moldiffcoeff |
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| 18 | implicit none |
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| 19 | |
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| 20 | c |
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| 21 | c Input/Output |
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| 22 | c |
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| 23 | integer,intent(in) :: ngrid ! number of atmospheric columns |
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| 24 | integer,intent(in) :: nlayer ! number of atmospheric layers |
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| 25 | integer,intent(in) :: nq ! number of advected tracers |
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| 26 | real ptimestep |
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| 27 | real pplay(ngrid,nlayer) |
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| 28 | real zzlay(ngrid,nlayer) |
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| 29 | real pplev(ngrid,nlayer+1) |
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| 30 | real pq(ngrid,nlayer,nq) |
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| 31 | real pdq(ngrid,nlayer,nq) |
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| 32 | real pt(ngrid,nlayer) |
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| 33 | real pdt(ngrid,nlayer) |
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| 34 | real pdteuv(ngrid,nlayer) |
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| 35 | real pdtconduc(ngrid,nlayer) |
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| 36 | real pdqdiff(ngrid,nlayer,nq) |
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| 37 | c |
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| 38 | c Local |
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| 39 | c |
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| 40 | |
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| 41 | integer,parameter :: ncompmoldiff = 14 |
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| 42 | real hco2(ncompmoldiff),ho |
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| 43 | |
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| 44 | integer ig,nz,l,n,nn,iq |
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| 45 | real del1,del2, tmean ,dalfinvdz, d |
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| 46 | real hh,dcoef,dcoef1,ptfac, ntot, dens, dens2, dens3 |
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| 47 | real hp(nlayer) |
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| 48 | real tt(nlayer) |
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| 49 | real qq(nlayer,ncompmoldiff) |
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| 50 | real dmmeandz(nlayer) |
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| 51 | real qnew(nlayer,ncompmoldiff) |
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| 52 | real zlocal(nlayer) |
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| 53 | real alf(ncompmoldiff-1,ncompmoldiff-1) |
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| 54 | real alfinv(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 55 | real indx(ncompmoldiff-1) |
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| 56 | real b(nlayer,ncompmoldiff-1) |
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| 57 | real y(ncompmoldiff-1,ncompmoldiff-1) |
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| 58 | real aa(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 59 | real bb(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 60 | real cc(nlayer,ncompmoldiff-1,ncompmoldiff-1) |
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| 61 | real atri(nlayer-2) |
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| 62 | real btri(nlayer-2) |
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| 63 | real ctri(nlayer-2) |
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| 64 | real rtri(nlayer-2) |
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| 65 | real qtri(nlayer-2) |
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| 66 | real alfdiag(ncompmoldiff-1) |
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| 67 | real wi(ncompmoldiff), flux(ncompmoldiff), pote |
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| 68 | |
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| 69 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 70 | c tracer numbering in the molecular diffusion |
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| 71 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 72 | c Atomic oxygen must always be the LAST species of the list as |
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| 73 | c it is the dominant species at high altitudes. |
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| 74 | integer,parameter :: i_co = 1 |
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| 75 | integer,parameter :: i_n2 = 2 |
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| 76 | integer,parameter :: i_o2 = 3 |
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| 77 | integer,parameter :: i_co2 = 4 |
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| 78 | integer,parameter :: i_h2 = 5 |
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| 79 | integer,parameter :: i_h = 6 |
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| 80 | integer,parameter :: i_oh = 7 |
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| 81 | integer,parameter :: i_ho2 = 8 |
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| 82 | integer,parameter :: i_h2o = 9 |
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| 83 | integer,parameter :: i_h2o2 = 10 |
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| 84 | integer,parameter :: i_o1d = 11 |
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| 85 | integer,parameter :: i_o3 = 12 |
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| 86 | integer,parameter :: i_ar = 13 |
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| 87 | integer,parameter :: i_o = 14 |
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| 88 | |
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| 89 | ! Tracer indexes in the GCM: |
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| 90 | integer,save :: g_co2=0 |
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| 91 | integer,save :: g_co=0 |
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| 92 | integer,save :: g_o=0 |
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| 93 | integer,save :: g_o1d=0 |
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| 94 | integer,save :: g_o2=0 |
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| 95 | integer,save :: g_o3=0 |
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| 96 | integer,save :: g_h=0 |
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| 97 | integer,save :: g_h2=0 |
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| 98 | integer,save :: g_oh=0 |
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| 99 | integer,save :: g_ho2=0 |
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| 100 | integer,save :: g_h2o2=0 |
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| 101 | integer,save :: g_n2=0 |
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| 102 | integer,save :: g_ar=0 |
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| 103 | integer,save :: g_h2o=0 |
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| 104 | |
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| 105 | integer,save :: gcmind(ncompmoldiff) ! array of GCM indexes |
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| 106 | integer ierr |
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| 107 | |
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| 108 | logical,save :: firstcall=.true. |
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| 109 | real abfac(ncompmoldiff) |
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| 110 | real,save :: dij(ncompmoldiff,ncompmoldiff) |
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| 111 | |
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| 112 | !$OMP THREADPRIVATE(g_co2,g_co,g_o,g_o1d,g_o2,g_o3,g_h,g_h2) |
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| 113 | !$OMP THREADPRIVATE(g_oh,g_ho2,g_h2o2,g_n2,g_ar,g_h2o,gcmind) |
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| 114 | !$OMP THREADPRIVATE(firstcall,dij) |
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| 115 | |
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| 116 | ! Initializations at first call |
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| 117 | if (firstcall) then |
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| 118 | call moldiffcoeff(dij) |
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| 119 | print*,'MOLDIFF EXO' |
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| 120 | |
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| 121 | ! identify the indexes of the tracers we'll need |
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| 122 | g_co2=igcm_co2 |
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| 123 | if (g_co2.eq.0) then |
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| 124 | write(*,*) "moldiff: Error; no CO2 tracer !!!" |
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| 125 | stop |
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| 126 | endif |
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| 127 | g_co=igcm_co |
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| 128 | if (g_co.eq.0) then |
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| 129 | write(*,*) "moldiff: Error; no CO tracer !!!" |
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| 130 | stop |
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| 131 | endif |
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| 132 | g_o=igcm_o |
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| 133 | if (g_o.eq.0) then |
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| 134 | write(*,*) "moldiff: Error; no O tracer !!!" |
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| 135 | stop |
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| 136 | endif |
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| 137 | g_o1d=igcm_o1d |
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| 138 | if (g_o1d.eq.0) then |
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| 139 | write(*,*) "moldiff: Error; no O1D tracer !!!" |
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| 140 | stop |
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| 141 | endif |
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| 142 | g_o2=igcm_o2 |
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| 143 | if (g_o2.eq.0) then |
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| 144 | write(*,*) "moldiff: Error; no O2 tracer !!!" |
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| 145 | stop |
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| 146 | endif |
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| 147 | g_o3=igcm_o3 |
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| 148 | if (g_o3.eq.0) then |
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| 149 | write(*,*) "moldiff: Error; no O3 tracer !!!" |
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| 150 | stop |
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| 151 | endif |
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| 152 | g_h=igcm_h |
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| 153 | if (g_h.eq.0) then |
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| 154 | write(*,*) "moldiff: Error; no H tracer !!!" |
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| 155 | stop |
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| 156 | endif |
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| 157 | g_h2=igcm_h2 |
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| 158 | if (g_h2.eq.0) then |
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| 159 | write(*,*) "moldiff: Error; no H2 tracer !!!" |
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| 160 | stop |
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| 161 | endif |
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| 162 | g_oh=igcm_oh |
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| 163 | if (g_oh.eq.0) then |
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| 164 | write(*,*) "moldiff: Error; no OH tracer !!!" |
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| 165 | stop |
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| 166 | endif |
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| 167 | g_ho2=igcm_ho2 |
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| 168 | if (g_ho2.eq.0) then |
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| 169 | write(*,*) "moldiff: Error; no HO2 tracer !!!" |
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| 170 | stop |
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| 171 | endif |
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| 172 | g_h2o2=igcm_h2o2 |
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| 173 | if (g_h2o2.eq.0) then |
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| 174 | write(*,*) "moldiff: Error; no H2O2 tracer !!!" |
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| 175 | stop |
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| 176 | endif |
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| 177 | g_n2=igcm_n2 |
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| 178 | if (g_n2.eq.0) then |
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| 179 | write(*,*) "moldiff: Error; no N2 tracer !!!" |
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| 180 | stop |
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| 181 | endif |
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| 182 | g_ar=igcm_ar |
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| 183 | if (g_ar.eq.0) then |
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| 184 | write(*,*) "moldiff: Error; no AR tracer !!!" |
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| 185 | stop |
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| 186 | endif |
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| 187 | g_h2o=igcm_h2o_vap |
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| 188 | if (g_h2o.eq.0) then |
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| 189 | write(*,*) "moldiff: Error; no water vapor tracer !!!" |
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| 190 | stop |
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| 191 | endif |
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| 192 | |
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| 193 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 194 | c fill array to relate local indexes to gcm indexes |
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| 195 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 196 | |
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| 197 | gcmind(i_co) = g_co |
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| 198 | gcmind(i_n2) = g_n2 |
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| 199 | gcmind(i_o2) = g_o2 |
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| 200 | gcmind(i_co2) = g_co2 |
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| 201 | gcmind(i_h2) = g_h2 |
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| 202 | gcmind(i_h) = g_h |
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| 203 | gcmind(i_oh) = g_oh |
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| 204 | gcmind(i_ho2) = g_ho2 |
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| 205 | gcmind(i_h2o) = g_h2o |
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| 206 | gcmind(i_h2o2) = g_h2o2 |
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| 207 | gcmind(i_o1d) = g_o1d |
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| 208 | gcmind(i_o3) = g_o3 |
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| 209 | gcmind(i_o) = g_o |
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| 210 | gcmind(i_ar) = g_ar |
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| 211 | |
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| 212 | firstcall= .false. |
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| 213 | endif ! of if (firstcall) |
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| 214 | |
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| 215 | |
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| 216 | |
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| 217 | c |
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| 218 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 219 | |
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| 220 | nz=nlayer |
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| 221 | |
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| 222 | do ig=1,ngrid |
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| 223 | |
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| 224 | do l=2,nz-1 |
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| 225 | tt(l)=pt(ig,l)+pdt(ig,l)*ptimestep |
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| 226 | & +pdteuv(ig,l)*ptimestep |
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| 227 | & +pdtconduc(ig,l)*ptimestep |
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| 228 | |
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| 229 | do nn=1,ncompmoldiff |
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| 230 | qq(l,nn)=pq(ig,l,gcmind(nn))+pdq(ig,l,gcmind(nn))*ptimestep |
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| 231 | qq(l,nn)=max(qq(l,nn),1.e-30) |
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| 232 | enddo |
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| 233 | hp(l)=-log(pplay(ig,l+1)/pplay(ig,l-1)) |
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| 234 | dmmeandz(l)=(mmean(ig,l+1)-mmean(ig,l-1))/hp(l) |
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| 235 | enddo |
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| 236 | |
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| 237 | tt(1)=pt(ig,1) +pdt(ig,1)*ptimestep |
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| 238 | & +pdteuv(ig,1)*ptimestep |
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| 239 | & +pdtconduc(ig,1)*ptimestep |
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| 240 | tt(nz)=pt(ig,nz)+pdt(ig,nz)*ptimestep |
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| 241 | & +pdteuv(ig,nz)*ptimestep |
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| 242 | & +pdtconduc(ig,nz)*ptimestep |
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| 243 | |
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| 244 | do nn=1,ncompmoldiff |
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| 245 | qq(1,nn)=pq(ig,1,gcmind(nn))+pdq(ig,1,gcmind(nn))*ptimestep |
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| 246 | qq(nz,nn)=pq(ig,nz,gcmind(nn))+pdq(ig,nz,gcmind(nn))*ptimestep |
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| 247 | qq(1,nn)=max(qq(1,nn),1.e-30) |
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| 248 | qq(nz,nn)=max(qq(nz,nn),1.e-30) |
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| 249 | enddo |
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| 250 | hp(1)=-log(pplay(ig,2)/pplay(ig,1)) |
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| 251 | dmmeandz(1)=(-3.*mmean(ig,1)+4.*mmean(ig,2) |
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| 252 | & -mmean(ig,3))/(2.*hp(1)) |
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| 253 | hp(nz)=-log(pplay(ig,nz)/pplay(ig,nz-1)) |
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| 254 | dmmeandz(nz)=(3.*mmean(ig,nz)-4.*mmean(ig,nz-1) |
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| 255 | & +mmean(ig,nz-2))/(2.*hp(nz)) |
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| 256 | c |
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| 257 | c Setting-up matrix of alfa coefficients from Dickinson and Ridley 1972 |
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| 258 | c |
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| 259 | do l=1,nz |
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| 260 | if(abs(dmmeandz(l)) .lt. 1.e-5) dmmeandz(l)=0.0 |
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| 261 | hh=rnew(ig,l)*tt(l)/g |
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| 262 | ptfac=(1.e5/pplay(ig,l))*(tt(l)/273)**1.75 |
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| 263 | ntot=pplay(ig,l)/(1.381e-23*tt(l)) ! in #/m3 |
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| 264 | |
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| 265 | do nn=1,ncompmoldiff-1 ! rows |
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| 266 | alfdiag(nn)=0. |
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| 267 | dcoef1=dij(nn,i_o)*ptfac |
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| 268 | do n=1,ncompmoldiff-1 ! columns |
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| 269 | y(nn,n)=0. |
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| 270 | dcoef=dij(nn,n)*ptfac |
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| 271 | alf(nn,n)=qq(l,nn)/ntot/1.66e-27 |
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| 272 | & *(1./(mmol(gcmind(n))*dcoef)-1./(mmol(g_o)*dcoef1)) |
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| 273 | alfdiag(nn)=alfdiag(nn) |
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| 274 | & +(1./(mmol(gcmind(n))*dcoef)-1./(mmol(g_o)*dcoef1)) |
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| 275 | & *qq(l,n) |
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| 276 | enddo |
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| 277 | dcoef=dij(nn,nn)*ptfac |
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| 278 | alfdiag(nn)=alfdiag(nn) |
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| 279 | & -(1./(mmol(gcmind(nn))*dcoef)-1./(mmol(g_o)*dcoef1)) |
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| 280 | & *qq(l,nn) |
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| 281 | alf(nn,nn)=-(alfdiag(nn) |
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| 282 | & +1./(mmol(g_o)*dcoef1))/ntot/1.66e-27 |
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| 283 | y(nn,nn)=1. |
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| 284 | b(l,nn)=-(dmmeandz(l)/mmean(ig,l) |
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| 285 | & +mmol(gcmind(nn))/mmean(ig,l)-1.) |
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| 286 | enddo |
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| 287 | |
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| 288 | c |
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| 289 | c Inverting the alfa matrix |
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| 290 | c |
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| 291 | call ludcmp_sp(alf,ncompmoldiff-1,ncompmoldiff-1,indx,d,ierr) |
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| 292 | |
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| 293 | c TEMPORAIRE ***************************** |
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| 294 | if (ierr.ne.0) then |
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| 295 | write(*,*)'In moldiff: Problem in LUDCMP_SP with matrix alf' |
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| 296 | write(*,*) 'Singular matrix ?' |
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| 297 | c write(*,*) 'Matrix alf = ', alf |
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| 298 | write(*,*) 'ig, l=',ig, l |
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| 299 | write(*,*) 'No molecular diffusion this time !' |
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| 300 | pdqdiff(1:ngrid,1:nlayer,1:nq)=0 |
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| 301 | return |
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| 302 | c stop |
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| 303 | end if |
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| 304 | c ******************************************* |
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| 305 | do n=1,ncompmoldiff-1 |
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| 306 | call lubksb_sp(alf,ncompmoldiff-1,ncompmoldiff-1,indx,y(1,n)) |
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| 307 | do nn=1,ncompmoldiff-1 |
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| 308 | alfinv(l,nn,n)=y(nn,n)/hh |
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| 309 | enddo |
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| 310 | enddo |
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| 311 | enddo |
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| 312 | |
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| 313 | c |
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| 314 | c Calculating coefficients of the system |
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| 315 | c |
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| 316 | |
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| 317 | zlocal(1)=zzlay(ig,1) |
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| 318 | |
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| 319 | do l=2,nz-1 |
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| 320 | del1=hp(l)*pplay(ig,l)/(g*ptimestep) |
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| 321 | del2=(hp(l)/2)**2*pplay(ig,l)/(g*ptimestep) |
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| 322 | do nn=1,ncompmoldiff-1 |
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| 323 | do n=1,ncompmoldiff-1 |
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| 324 | dalfinvdz=(alfinv(l+1,nn,n)-alfinv(l-1,nn,n))/hp(l) |
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| 325 | aa(l,nn,n)=-dalfinvdz/del1+alfinv(l,nn,n)/del2 |
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| 326 | & +alfinv(l-1,nn,n)*b(l-1,n)/del1 |
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| 327 | bb(l,nn,n)=-2.*alfinv(l,nn,n)/del2 |
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| 328 | cc(l,nn,n)=dalfinvdz/del1+alfinv(l,nn,n)/del2 |
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| 329 | & -alfinv(l+1,nn,n)*b(l+1,n)/del1 |
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| 330 | enddo |
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| 331 | enddo |
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| 332 | |
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| 333 | zlocal(l)=zzlay(ig,l) |
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| 334 | enddo |
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| 335 | |
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| 336 | zlocal(nz)=zzlay(ig,nz) |
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| 337 | |
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| 338 | ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 339 | c Escape velocity from Jeans equation for the flux of H and H2 |
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| 340 | c (Hunten 1973, eq. 5) |
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| 341 | |
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| 342 | do n=1,ncompmoldiff |
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| 343 | wi(n)=1. |
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| 344 | flux(n)=0. |
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| 345 | abfac(n)=1. |
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| 346 | enddo |
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| 347 | |
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| 348 | dens=pplay(ig,nz)/(rnew(ig,nz)*tt(nz)) |
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| 349 | c |
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| 350 | c For H: |
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| 351 | c |
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| 352 | pote=(3398000.+zlocal(nz))/ |
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| 353 | & (1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h)*g)) |
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| 354 | wi(i_h)=sqrt(2.*1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h))) |
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| 355 | & /(2.*sqrt(3.1415))*(1.+pote)*exp(-pote) |
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| 356 | flux(i_h)=qq(nz,i_h)*dens/(1.6605e-27*mmol(g_h))*wi(i_h) |
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| 357 | flux(i_h)=flux(i_h)*1.6606e-27 |
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| 358 | abfac(i_h)=0. |
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| 359 | c |
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| 360 | c For H2: |
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| 361 | c |
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| 362 | pote=(3398000.+zlocal(nz))/ |
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| 363 | & (1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h2)*g)) |
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| 364 | wi(i_h2)=sqrt(2.*1.381e-23*tt(nz)/(1.6605e-27*mmol(g_h2))) |
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| 365 | & /(2.*sqrt(3.1415))*(1.+pote)*exp(-pote) |
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| 366 | flux(i_h2)=qq(nz,i_h2)*dens/(1.6605e-27*mmol(g_h2))*wi(i_h2) |
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| 367 | flux(i_h2)=flux(i_h2)*1.6606e-27 |
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| 368 | abfac(i_h2)=0. |
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| 369 | |
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| 370 | c ********* TEMPORAIRE : no escape for h and h2 |
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| 371 | c do n=1,ncomptot |
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| 372 | c wi(n)=1. |
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| 373 | c flux(n)=0. |
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| 374 | c abfac(n)=1. |
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| 375 | c enddo |
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| 376 | c ******************************************** |
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| 377 | |
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| 378 | |
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| 379 | ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 380 | |
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| 381 | c |
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| 382 | c Setting coefficients for tridiagonal matrix and solving the system |
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| 383 | c |
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| 384 | |
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| 385 | do nn=1,ncompmoldiff-1 |
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| 386 | do l=2,nz-1 |
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| 387 | atri(l-1)=aa(l,nn,nn) |
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| 388 | btri(l-1)=bb(l,nn,nn)+1. |
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| 389 | ctri(l-1)=cc(l,nn,nn) |
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| 390 | rtri(l-1)=qq(l,nn) |
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| 391 | do n=1,ncompmoldiff-1 |
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| 392 | rtri(l-1)=rtri(l-1)-(aa(l,nn,n)*qq(l-1,n) |
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| 393 | & +bb(l,nn,n)*qq(l,n) |
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| 394 | & +cc(l,nn,n)*qq(l+1,n)) |
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| 395 | enddo |
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| 396 | rtri(l-1)=rtri(l-1)+(aa(l,nn,nn)*qq(l-1,nn) |
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| 397 | & +bb(l,nn,nn)*qq(l,nn) |
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| 398 | & +cc(l,nn,nn)*qq(l+1,nn)) |
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| 399 | enddo |
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| 400 | |
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| 401 | c |
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| 402 | c Boundary conditions: |
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| 403 | c Escape flux for H and H2 at top |
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| 404 | c Diffusive equilibrium for the other species at top |
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| 405 | c Perfect mixing for all at bottom |
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| 406 | c |
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| 407 | |
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| 408 | rtri(nz-2)=rtri(nz-2) |
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| 409 | & -ctri(nz-2)*flux(nn)*mmol(gcmind(nn))/(dens*wi(nn)) |
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| 410 | |
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| 411 | atri(nz-2)=atri(nz-2) |
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| 412 | & -abfac(nn)*ctri(nz-2)/(3.-2.*hp(nz)*b(nz,nn)) |
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| 413 | btri(nz-2)=btri(nz-2) |
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| 414 | & +abfac(nn)*4.*ctri(nz-2)/(3.-2.*hp(nz)*b(nz,nn)) |
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| 415 | |
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| 416 | c rtri(1)=rtri(1)-atri(1)*qq(1,nn) |
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| 417 | btri(1)=btri(1)+atri(1) |
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| 418 | |
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| 419 | call tridag_sp(atri,btri,ctri,rtri,qtri,nz-2) |
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| 420 | |
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| 421 | do l=2,nz-1 |
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| 422 | c qnew(l,nn)=qtri(l-1) |
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| 423 | qnew(l,nn)=max(qtri(l-1),1.e-30) |
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| 424 | enddo |
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| 425 | |
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| 426 | qnew(nz,nn)=flux(nn)*mmol(gcmind(nn))/(dens*wi(nn)) |
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| 427 | & +abfac(nn)*(4.*qnew(nz-1,nn)-qnew(nz-2,nn)) |
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| 428 | & /(3.-2.*hp(nz)*b(nz,nn)) |
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| 429 | c qnew(1,nn)=qq(1,nn) |
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| 430 | qnew(1,nn)=qnew(2,nn) |
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| 431 | |
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| 432 | qnew(nz,nn)=max(qnew(nz,nn),1.e-30) |
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| 433 | qnew(1,nn)=max(qnew(1,nn),1.e-30) |
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| 434 | |
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| 435 | enddo ! loop on species |
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| 436 | |
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| 437 | DO l=1,nz |
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| 438 | if(zlocal(l).gt.65000.)then |
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| 439 | pdqdiff(ig,l,g_o)=0. |
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| 440 | do n=1,ncompmoldiff-1 |
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| 441 | pdqdiff(ig,l,gcmind(n))=(qnew(l,n)-qq(l,n)) |
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| 442 | pdqdiff(ig,l,g_o)=pdqdiff(ig,l,g_o)-(qnew(l,n)-qq(l,n)) |
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| 443 | pdqdiff(ig,l,gcmind(n))=pdqdiff(ig,l,gcmind(n))/ptimestep |
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| 444 | enddo |
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| 445 | pdqdiff(ig,l,g_o)=pdqdiff(ig,l,g_o)/ptimestep |
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| 446 | endif |
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| 447 | ENDDO |
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| 448 | |
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| 449 | c do l=2,nz |
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| 450 | c do n=1,ncomptot-1 |
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| 451 | c hco2(n)=qnew(l,n)*pplay(ig,l)/(rnew(ig,l)*tt(l)) / |
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| 452 | c & (qnew(l-1,n)*pplay(ig,l-1)/(rnew(ig,l-1)*tt(l-1))) |
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| 453 | c hco2(n)=-(zlocal(l)-zlocal(l-1))/log(hco2(n))/1000. |
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| 454 | c enddo |
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| 455 | c write(225,*),l,pt(1,l),(hco2(n),n=1,6) |
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| 456 | c write(226,*),l,pt(1,l),(hco2(n),n=7,12) |
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| 457 | c enddo |
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| 458 | |
|---|
| 459 | enddo ! ig loop |
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| 460 | |
|---|
| 461 | end subroutine moldiff |
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| 462 | |
|---|
| 463 | c ******************************************************************** |
|---|
| 464 | c ******************************************************************** |
|---|
| 465 | c ******************************************************************** |
|---|
| 466 | |
|---|
| 467 | subroutine tridag_sp(a,b,c,r,u,n) |
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| 468 | c parameter (nmax=100) |
|---|
| 469 | c dimension gam(nmax),a(n),b(n),c(n),r(n),u(n) |
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| 470 | integer,intent(in) :: n |
|---|
| 471 | real,intent(in) :: a(n),b(n),c(n),r(n) |
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| 472 | real,intent(out) :: u(n) |
|---|
| 473 | real :: gam(n),bet |
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| 474 | integer :: j |
|---|
| 475 | if(b(1).eq.0.)then |
|---|
| 476 | stop 'tridag_sp: error: b(1)=0 !!! ' |
|---|
| 477 | endif |
|---|
| 478 | bet=b(1) |
|---|
| 479 | u(1)=r(1)/bet |
|---|
| 480 | do j=2,n |
|---|
| 481 | gam(j)=c(j-1)/bet |
|---|
| 482 | bet=b(j)-a(j)*gam(j) |
|---|
| 483 | if(bet.eq.0.) then |
|---|
| 484 | stop 'tridag_sp: error: bet=0 !!! ' |
|---|
| 485 | endif |
|---|
| 486 | u(j)=(r(j)-a(j)*u(j-1))/bet |
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| 487 | enddo |
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| 488 | do j=n-1,1,-1 |
|---|
| 489 | u(j)=u(j)-gam(j+1)*u(j+1) |
|---|
| 490 | enddo |
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| 491 | |
|---|
| 492 | end subroutine tridag_sp |
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| 493 | |
|---|
| 494 | c ******************************************************************** |
|---|
| 495 | c ******************************************************************** |
|---|
| 496 | c ******************************************************************** |
|---|
| 497 | |
|---|
| 498 | SUBROUTINE LUBKSB_SP(A,N,NP,INDX,B) |
|---|
| 499 | |
|---|
| 500 | implicit none |
|---|
| 501 | |
|---|
| 502 | integer i,j,n,np,ii,ll |
|---|
| 503 | real sum |
|---|
| 504 | real a(np,np),indx(np),b(np) |
|---|
| 505 | |
|---|
| 506 | c DIMENSION A(NP,NP),INDX(N),B(N) |
|---|
| 507 | II=0 |
|---|
| 508 | DO 12 I=1,N |
|---|
| 509 | LL=INDX(I) |
|---|
| 510 | SUM=B(LL) |
|---|
| 511 | B(LL)=B(I) |
|---|
| 512 | IF (II.NE.0)THEN |
|---|
| 513 | DO 11 J=II,I-1 |
|---|
| 514 | SUM=SUM-A(I,J)*B(J) |
|---|
| 515 | 11 CONTINUE |
|---|
| 516 | ELSE IF (SUM.NE.0.) THEN |
|---|
| 517 | II=I |
|---|
| 518 | ENDIF |
|---|
| 519 | B(I)=SUM |
|---|
| 520 | 12 CONTINUE |
|---|
| 521 | DO 14 I=N,1,-1 |
|---|
| 522 | SUM=B(I) |
|---|
| 523 | IF(I.LT.N)THEN |
|---|
| 524 | DO 13 J=I+1,N |
|---|
| 525 | SUM=SUM-A(I,J)*B(J) |
|---|
| 526 | 13 CONTINUE |
|---|
| 527 | ENDIF |
|---|
| 528 | B(I)=SUM/A(I,I) |
|---|
| 529 | 14 CONTINUE |
|---|
| 530 | |
|---|
| 531 | END SUBROUTINE LUBKSB_SP |
|---|
| 532 | |
|---|
| 533 | c ******************************************************************** |
|---|
| 534 | c ******************************************************************** |
|---|
| 535 | c ******************************************************************** |
|---|
| 536 | |
|---|
| 537 | SUBROUTINE LUDCMP_SP(A,N,NP,INDX,D,ierr) |
|---|
| 538 | |
|---|
| 539 | implicit none |
|---|
| 540 | |
|---|
| 541 | integer n,np,nmax,i,j,k,imax |
|---|
| 542 | real d,tiny,aamax |
|---|
| 543 | real a(np,np),indx(np) |
|---|
| 544 | integer ierr ! error =0 if OK, =1 if problem |
|---|
| 545 | |
|---|
| 546 | PARAMETER (NMAX=100,TINY=1.0E-20) |
|---|
| 547 | c DIMENSION A(NP,NP),INDX(N),VV(NMAX) |
|---|
| 548 | real sum,vv(nmax),dum |
|---|
| 549 | |
|---|
| 550 | D=1. |
|---|
| 551 | DO 12 I=1,N |
|---|
| 552 | AAMAX=0. |
|---|
| 553 | DO 11 J=1,N |
|---|
| 554 | IF (ABS(A(I,J)).GT.AAMAX) AAMAX=ABS(A(I,J)) |
|---|
| 555 | 11 CONTINUE |
|---|
| 556 | IF (AAMAX.EQ.0.) then |
|---|
| 557 | write(*,*) 'In moldiff: Problem in LUDCMP_SP with matrix A' |
|---|
| 558 | write(*,*) 'Singular matrix ?' |
|---|
| 559 | c write(*,*) 'Matrix A = ', A |
|---|
| 560 | c TO DEBUG : |
|---|
| 561 | ierr =1 |
|---|
| 562 | return |
|---|
| 563 | c stop |
|---|
| 564 | END IF |
|---|
| 565 | |
|---|
| 566 | VV(I)=1./AAMAX |
|---|
| 567 | 12 CONTINUE |
|---|
| 568 | DO 19 J=1,N |
|---|
| 569 | IF (J.GT.1) THEN |
|---|
| 570 | DO 14 I=1,J-1 |
|---|
| 571 | SUM=A(I,J) |
|---|
| 572 | IF (I.GT.1)THEN |
|---|
| 573 | DO 13 K=1,I-1 |
|---|
| 574 | SUM=SUM-A(I,K)*A(K,J) |
|---|
| 575 | 13 CONTINUE |
|---|
| 576 | A(I,J)=SUM |
|---|
| 577 | ENDIF |
|---|
| 578 | 14 CONTINUE |
|---|
| 579 | ENDIF |
|---|
| 580 | AAMAX=0. |
|---|
| 581 | DO 16 I=J,N |
|---|
| 582 | SUM=A(I,J) |
|---|
| 583 | IF (J.GT.1)THEN |
|---|
| 584 | DO 15 K=1,J-1 |
|---|
| 585 | SUM=SUM-A(I,K)*A(K,J) |
|---|
| 586 | 15 CONTINUE |
|---|
| 587 | A(I,J)=SUM |
|---|
| 588 | ENDIF |
|---|
| 589 | DUM=VV(I)*ABS(SUM) |
|---|
| 590 | IF (DUM.GE.AAMAX) THEN |
|---|
| 591 | IMAX=I |
|---|
| 592 | AAMAX=DUM |
|---|
| 593 | ENDIF |
|---|
| 594 | 16 CONTINUE |
|---|
| 595 | IF (J.NE.IMAX)THEN |
|---|
| 596 | DO 17 K=1,N |
|---|
| 597 | DUM=A(IMAX,K) |
|---|
| 598 | A(IMAX,K)=A(J,K) |
|---|
| 599 | A(J,K)=DUM |
|---|
| 600 | 17 CONTINUE |
|---|
| 601 | D=-D |
|---|
| 602 | VV(IMAX)=VV(J) |
|---|
| 603 | ENDIF |
|---|
| 604 | INDX(J)=IMAX |
|---|
| 605 | IF(J.NE.N)THEN |
|---|
| 606 | IF(A(J,J).EQ.0.)A(J,J)=TINY |
|---|
| 607 | DUM=1./A(J,J) |
|---|
| 608 | DO 18 I=J+1,N |
|---|
| 609 | A(I,J)=A(I,J)*DUM |
|---|
| 610 | 18 CONTINUE |
|---|
| 611 | ENDIF |
|---|
| 612 | 19 CONTINUE |
|---|
| 613 | IF(A(N,N).EQ.0.)A(N,N)=TINY |
|---|
| 614 | ierr =0 |
|---|
| 615 | |
|---|
| 616 | END SUBROUTINE LUDCMP_SP |
|---|
| 617 | |
|---|
| 618 | end module moldiff_mod |
|---|
