module mo_sim_dat private public :: set_sim_dat contains subroutine set_sim_dat use chem_mods, only : clscnt, cls_rxt_cnt, clsmap, permute, adv_mass, fix_mass, crb_mass use chem_mods, only : diag_map use chem_mods, only : phtcnt, rxt_tag_cnt, rxt_tag_lst, rxt_tag_map use chem_mods, only : pht_alias_lst, pht_alias_mult use chem_mods, only : extfrc_lst, inv_lst, slvd_lst use cam_abortutils, only : endrun use mo_tracname, only : solsym use chem_mods, only : frc_from_dataset use shr_kind_mod,only : r8 => shr_kind_r8 use cam_logfile, only : iulog implicit none !-------------------------------------------------------------- ! ... local variables !-------------------------------------------------------------- integer :: ios clscnt(:) = (/ 8, 0, 0, 95, 0 /) cls_rxt_cnt(:,1) = (/ 30, 12, 0, 8 /) cls_rxt_cnt(:,4) = (/ 2, 65, 144, 95 /) solsym(:103) = (/ 'O3 ','O ','O1D ','N2O ','NO ', & 'NO2 ','NO3 ','HNO3 ','HO2NO2 ','N2O5 ', & 'H2 ','OH ','HO2 ','H2O2 ','CH4 ', & 'CO ','CH3O2 ','CH3OOH ','CH2O ','CH3OH ', & 'C2H5OH ','C2H4 ','EO ','EO2 ','CH3COOH ', & 'GLYALD ','C2H6 ','C2H5O2 ','C2H5OOH ','CH3CHO ', & 'CH3CO3 ','CH3COOOH ','C3H6 ','C3H8 ','C3H7O2 ', & 'C3H7OOH ','PO2 ','POOH ','CH3COCH3 ','RO2 ', & 'ROOH ','BIGENE ','ENEO2 ','MEK ','MEKO2 ', & 'MEKOOH ','BIGALK ','ALKO2 ','ALKOOH ','ISOP ', & 'ISOPO2 ','ISOPOOH ','MVK ','MACR ','MACRO2 ', & 'MACROOH ','MCO3 ','HYDRALD ','HYAC ','CH3COCHO ', & 'XO2 ','XOOH ','C10H16 ','TERPO2 ','TERPOOH ', & 'TOLUENE ','CRESOL ','TOLO2 ','TOLOOH ','XOH ', & 'BIGALD ','GLYOXAL ','PAN ','ONIT ','MPAN ', & 'ISOPNO3 ','ONITR ','CB1 ','CB2 ','OC1 ', & 'OC2 ','SOA ','SO2 ','DMS ','SO4 ', & 'NH3 ','NH4 ','NH4NO3 ','SSLT01 ','SSLT02 ', & 'SSLT03 ','SSLT04 ','DST01 ','DST02 ','DST03 ', & 'DST04 ','Rn ','Pb ','HCN ','CH3CN ', & 'C2H2 ','HCOOH ','HOCH2OO ' /) adv_mass(:103) = (/ 47.998200_r8, 15.999400_r8, 15.999400_r8, 44.012880_r8, 30.006140_r8, & 46.005540_r8, 62.004940_r8, 63.012340_r8, 79.011740_r8, 108.010480_r8, & 2.014800_r8, 17.006800_r8, 33.006200_r8, 34.013600_r8, 16.040600_r8, & 28.010400_r8, 47.032000_r8, 48.039400_r8, 30.025200_r8, 32.040000_r8, & 46.065800_r8, 28.051600_r8, 61.057800_r8, 77.057200_r8, 60.050400_r8, & 60.050400_r8, 30.066400_r8, 61.057800_r8, 62.065200_r8, 44.051000_r8, & 75.042400_r8, 76.049800_r8, 42.077400_r8, 44.092200_r8, 75.083600_r8, & 76.091000_r8, 91.083000_r8, 92.090400_r8, 58.076800_r8, 89.068200_r8, & 90.075600_r8, 56.103200_r8, 105.108800_r8, 72.102600_r8, 103.094000_r8, & 104.101400_r8, 72.143800_r8, 103.135200_r8, 104.142600_r8, 68.114200_r8, & 117.119800_r8, 118.127200_r8, 70.087800_r8, 70.087800_r8, 119.093400_r8, & 120.100800_r8, 101.079200_r8, 100.113000_r8, 74.076200_r8, 72.061400_r8, & 149.118600_r8, 150.126000_r8, 136.228400_r8, 185.234000_r8, 186.241400_r8, & 92.136200_r8, 108.135600_r8, 173.140600_r8, 174.148000_r8, 190.147400_r8, & 98.098200_r8, 58.035600_r8, 121.047940_r8, 119.074340_r8, 147.084740_r8, & 162.117940_r8, 147.125940_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, & 12.011000_r8, 144.132000_r8, 64.064800_r8, 62.132400_r8, 96.063600_r8, & 17.028940_r8, 18.036340_r8, 80.041280_r8, 58.442468_r8, 58.442468_r8, & 58.442468_r8, 58.442468_r8, 135.064039_r8, 135.064039_r8, 135.064039_r8, & 135.064039_r8, 222.000000_r8, 207.200000_r8, 27.025140_r8, 41.050940_r8, & 26.036800_r8, 46.024600_r8, 63.031400_r8 /) crb_mass(:103) = (/ 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 12.011000_r8, & 12.011000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, & 24.022000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, & 24.022000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, 24.022000_r8, & 24.022000_r8, 24.022000_r8, 36.033000_r8, 36.033000_r8, 36.033000_r8, & 36.033000_r8, 36.033000_r8, 36.033000_r8, 36.033000_r8, 36.033000_r8, & 36.033000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, & 48.044000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, 60.055000_r8, & 60.055000_r8, 60.055000_r8, 48.044000_r8, 48.044000_r8, 48.044000_r8, & 48.044000_r8, 48.044000_r8, 60.055000_r8, 36.033000_r8, 36.033000_r8, & 60.055000_r8, 60.055000_r8, 120.110000_r8, 120.110000_r8, 120.110000_r8, & 84.077000_r8, 84.077000_r8, 84.077000_r8, 84.077000_r8, 84.077000_r8, & 60.055000_r8, 24.022000_r8, 24.022000_r8, 36.033000_r8, 48.044000_r8, & 60.055000_r8, 60.055000_r8, 12.011000_r8, 12.011000_r8, 12.011000_r8, & 12.011000_r8, 144.132000_r8, 0.000000_r8, 24.022000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, 0.000000_r8, & 0.000000_r8, 0.000000_r8, 0.000000_r8, 12.011000_r8, 24.022000_r8, & 24.022000_r8, 12.011000_r8, 12.011000_r8 /) fix_mass(: 4) = (/ 0.00000000_r8, 28.0134800_r8, 31.9988000_r8, 18.0142000_r8 /) clsmap(: 8,1) = (/ 15, 4, 16, 97, 98, 11, 99, 100 /) clsmap(: 95,4) = (/ 1, 3, 2, 5, 6, 7, 8, 9, 10, 12, & 13, 14, 17, 18, 19, 20, 21, 22, 23, 24, & 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, & 35, 36, 37, 38, 39, 40, 41, 42, 43, 47, & 48, 49, 44, 45, 46, 50, 51, 52, 53, 54, & 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, & 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, & 75, 76, 77, 83, 84, 85, 86, 87, 88, 82, & 78, 79, 80, 81, 101, 102, 103, 89, 90, 91, & 92, 93, 94, 95, 96 /) permute(: 95,4) = (/ 91, 30, 59, 88, 93, 94, 58, 41, 31, 89, & 90, 26, 92, 43, 82, 62, 33, 38, 27, 45, & 50, 63, 18, 71, 42, 76, 95, 49, 75, 19, & 72, 40, 67, 52, 68, 78, 34, 20, 35, 21, & 70, 65, 51, 66, 36, 74, 86, 61, 84, 80, & 85, 37, 87, 44, 79, 81, 83, 28, 64, 77, & 53, 23, 24, 55, 46, 29, 56, 54, 57, 47, & 60, 69, 73, 22, 32, 1, 17, 2, 3, 4, & 5, 6, 7, 8, 25, 39, 48, 9, 10, 11, & 12, 13, 14, 15, 16 /) diag_map(: 95) = (/ 1, 2, 3, 4, 5, 7, 8, 10, 11, 12, & 13, 14, 15, 16, 17, 18, 19, 21, 24, 27, & 30, 34, 36, 41, 44, 49, 52, 56, 59, 63, & 70, 75, 80, 84, 89, 96, 101, 106, 113, 116, & 121, 126, 131, 136, 140, 146, 152, 157, 163, 168, & 171, 176, 183, 190, 195, 203, 208, 215, 219, 225, & 233, 241, 246, 250, 260, 271, 279, 287, 292, 306, & 321, 331, 342, 352, 370, 383, 392, 404, 414, 420, & 430, 438, 451, 464, 482, 501, 517, 558, 634, 685, & 716, 746, 767, 801, 824 /) extfrc_lst(: 4) = (/ 'NO ','CO ','SO2 ','SO4 ' /) frc_from_dataset(: 4) = (/ .true., .true., .true., .true. /) inv_lst(: 4) = (/ 'M ', 'N2 ', 'O2 ', 'H2O ' /) if( allocated( rxt_tag_lst ) ) then deallocate( rxt_tag_lst ) end if allocate( rxt_tag_lst(rxt_tag_cnt),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_lst; error = ',ios call endrun end if if( allocated( rxt_tag_map ) ) then deallocate( rxt_tag_map ) end if allocate( rxt_tag_map(rxt_tag_cnt),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate rxt_tag_map; error = ',ios call endrun end if rxt_tag_lst(:rxt_tag_cnt) = (/ 'jo2 ', 'jo1d ', 'jo3p ', 'jn2o ', & 'jno2 ', 'jn2o5 ', 'jhno3 ', 'jno3_a ', & 'jno3_b ', 'jho2no2_a ', 'jho2no2_b ', 'jch3ooh ', & 'jch2o_a ', 'jch2o_b ', 'jh2o2 ', 'jch3cho ', & 'jpooh ', 'jch3co3h ', 'jpan ', 'jmpan ', & 'jmacr_a ', 'jmacr_b ', 'jmvk ', 'jc2h5ooh ', & 'jc3h7ooh ', 'jrooh ', 'jacet ', 'jmgly ', & 'jxooh ', 'jonitr ', 'jisopooh ', 'jhyac ', & 'jglyald ', 'jmek ', 'jbigald ', 'jglyoxal ', & 'jalkooh ', 'jmekooh ', 'jtolooh ', 'jterpooh ', & 'usr_O_O2 ', 'o1d_n2 ', 'o1d_o2 ', 'ox_l1 ', & 'ox_l2 ', 'ox_l3 ', 'usr_HO2_HO2 ', 'ox_p1 ', & 'tag_NO2_NO3 ', 'usr_N2O5_M ', 'tag_NO2_OH ', 'usr_HNO3_OH ', & 'tag_NO2_HO2 ', 'usr_HO2NO2_M ', 'ox_p2 ', 'usr_CO_OH_b ', & 'tag_C2H4_OH ', 'ox_l6 ', 'ox_p16 ', 'ox_p5 ', & 'ox_p4 ', 'tag_CH3CO3_NO2 ', 'usr_PAN_M ', 'tag_C3H6_OH ', & 'ox_l4 ', 'ox_p3 ', 'ox_p9 ', 'usr_CH3COCH3_OH ', & 'ox_p10 ', 'ox_p15 ', 'ox_p17 ', 'soa5 ', & 'ox_p14 ', 'ox_l5 ', 'ox_p6 ', 'ox_l7 ', & 'ox_l8 ', 'ox_p7 ', 'ox_p8 ', 'usr_MCO3_NO2 ', & 'usr_MPAN_M ', 'ox_p11 ', 'usr_XOOH_OH ', 'soa4 ', & 'ox_p12 ', 'soa2 ', 'soa1 ', 'soa3 ', & 'ox_p13 ', 'usr_N2O5_aer ', 'usr_NO3_aer ', 'usr_NO2_aer ', & 'usr_SO2_OH ', 'usr_DMS_OH ', 'usr_HO2_aer ' /) rxt_tag_map(:rxt_tag_cnt) = (/ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, & 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, & 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, & 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, & 41, 43, 44, 45, 50, 51, 52, 59, 64, 65, & 66, 67, 69, 71, 74, 82, 90, 91, 92, 96, & 103, 104, 109, 115, 116, 118, 122, 126, 127, 136, & 138, 142, 143, 147, 148, 159, 161, 162, 169, 175, & 176, 180, 186, 187, 190, 193, 194, 195, 196, 200, & 201, 202, 204, 206, 210 /) if( allocated( pht_alias_lst ) ) then deallocate( pht_alias_lst ) end if allocate( pht_alias_lst(phtcnt,2),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_lst; error = ',ios call endrun end if if( allocated( pht_alias_mult ) ) then deallocate( pht_alias_mult ) end if allocate( pht_alias_mult(phtcnt,2),stat=ios ) if( ios /= 0 ) then write(iulog,*) 'set_sim_dat: failed to allocate pht_alias_mult; error = ',ios call endrun end if pht_alias_lst(:,1) = (/ ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ' /) pht_alias_lst(:,2) = (/ 'jo2_b ', 'jo3_a ', 'jo3_b ', ' ', & ' ', 'jn2o5_a ', ' ', ' ', & ' ', ' ', ' ', ' ', & ' ', ' ', ' ', ' ', & 'jch3ooh ', 'jh2o2 ', ' ', 'jpan ', & ' ', ' ', ' ', 'jch3ooh ', & 'jch3ooh ', 'jch3ooh ', ' ', ' ', & 'jch3ooh ', 'jch3cho ', 'jch3ooh ', ' ', & ' ', 'jacet ', 'jno2 ', 'jmgly ', & 'jch3ooh ', 'jch3ooh ', 'jch3ooh ', 'jch3ooh ' /) pht_alias_mult(:,1) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8 /) pht_alias_mult(:,2) = (/ 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, .28_r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8, & 1._r8, 1._r8, 1._r8, 1._r8, .2_r8, & 1._r8, 1._r8, 1._r8, 1._r8, 1._r8 /) end subroutine set_sim_dat end module mo_sim_dat