Separate chem_opt=100 from opts 108 and 109 (#1798)

This splits chem_opt=100 from chem_opt=108 and chem_opt=109 by renamng the original module for chem_opt=100 to *_het and removing the refrences to CLNO2, HCL, and the crustal species from options 108 and 109. Relatedly, the aerosol pointers in the module_data* files are adjusted to reflect this change. In this configuration, ISORROPIA and the N2O5 heterogenous chemistry option will only be available with option 100, but both namelist options must be set.

TYPE: bug fix/enhancment

KEYWORDS: MADE-SORGAM, SOA_VBS, heterogenous chemistry, crustal species, chemistry options

SOURCE: Jordan Schnell (CIRES/NOAA)

DESCRIPTION OF CHANGES:
Problem: Species in chem_opt=100 (HCL, CLNO2, MG, K, CA) are referenced by the aerosol module for chem_opt=108, 109 leading to memory mapping errors. Previous code allowed the user to run with ISORROPIA and N2O5 heterogenous chemistry without the necessary species. 

Solution:
See top

LIST OF MODIFIED FILES: 
M       Registry/registry.chem
M       Registry/registry.noahmp
M       chem/Makefile
M       chem/aerosol_driver.F
M       chem/depend.chem
M       chem/dry_dep_driver.F
M       chem/module_aerosols_soa_vbs.F
A       chem/module_aerosols_soa_vbs_het.F
M       chem/module_data_soa_vbs.F
A       chem/module_data_soa_vbs_het.F

TESTS CONDUCTED: 
1. Do mods fix problem? How can that be demonstrated, and was that test conducted?
2. The Jenkins tests have passed.

RELEASE NOTE: chem_opt=100 now separate from chem_opt=108 and 109. No ISORROPIA or N2O5 het for 108, 109.

Registry/registry.chem

@@ -3904,7 +3904,7 @@ rconfig   real        af_lambda_start     namelist,chem          max_domains
 rconfig   real        af_lambda_end       namelist,chem          max_domains    340.    rh    "end   wavelength for AF output" "nm"      ""
 # Control for ISORROPIA in MADE/SORGAM schemes
 rconfig   logical     do_isorropia        namelist,chem          1              .false. rh    "flag to use ISORROPIA"
-
+rconfig   logical     do_n2o5het          namelsit,chem          1              .false. rh    "flag to do n2o5 heterogenous chemistry via chlorine pathway"
 
 # CHEMISTRY PACKAGE DEFINITIONS
 #

chem/Makefile

@@ -53,6 +53,7 @@ MODULES =                                 \
         module_data_rrtmgaeropt.o         \
         module_data_megan2.o              \
         module_data_soa_vbs.o             \
+        module_data_soa_vbs_het.o         \
         module_data_sorgam.o              \
         module_data_sorgam_vbs.o          \
         module_ftuv_subs.o                \
@@ -130,6 +131,7 @@ MODULES =                                 \
         module_sorgam_aqchem.o            \
         module_sorgam_vbs_aqchem.o        \
         module_aerosols_soa_vbs.o         \
+        module_aerosols_soa_vbs_het.o     \
         module_aerosols_sorgam.o          \
         module_aerosols_sorgam_vbs.o      \
         module_bioemi_megan2.o            \

chem/aerosol_driver.F

@@ -33,6 +33,7 @@ SUBROUTINE aerosols_driver (id,curr_secs,ktau,dtstep,ktauc,          &
    USE module_data_sorgam
    USE module_mosaic_driver, only:  mosaic_aerchem_driver
    USE module_aerosols_soa_vbs, only: soa_vbs_driver
+   USE module_aerosols_soa_vbs_het, only: soa_vbs_het_driver
    USE module_aerosols_sorgam_vbs, only: sorgam_vbs_driver
    USE module_data_soa_vbs, only: ldrog_vbs
    USE module_cam_mam_aerchem_driver, only:  cam_mam_aerchem_driver
@@ -298,7 +299,7 @@ SUBROUTINE aerosols_driver (id,curr_secs,ktau,dtstep,ktauc,          &
             ids,ide, jds,jde, kds,kde,                                  &
             ims,ime, jms,jme, kms,kme,                                  &
             its,ite, jts,jte, kts,kte                                   )
-   CASE ( RACM_SOA_VBS_KPP, RACM_SOA_VBS_AQCHEM_KPP, RACM_SOA_VBS_HET_KPP )
+   CASE ( RACM_SOA_VBS_KPP, RACM_SOA_VBS_AQCHEM_KPP )
        CALL wrf_debug(15,'aerosols_driver calling soa_vbs_driver')
        do ii=its,ite
           do kk=kts,kte
@@ -311,11 +312,31 @@ SUBROUTINE aerosols_driver (id,curr_secs,ktau,dtstep,ktauc,          &
        enddo
        call soa_vbs_driver ( id,ktauc,dtstepc,t_phy,moist,aerwrf,p8w,t8w, &
             alt,p_phy,chem,rho_phy,dz8w,rh,z,z_at_w,                 &
-            gamn2o5,cn2o5,kn2o5,yclno2,snu,sac,                    &
+            h2oaj,h2oai,nu3,ac3,cor3,asulf,ahno3,anh3,               &
+            vcsulf_old,vdrog3_vbs,                                   &
+            config_flags%kemit,brch_ratio,                           &
+            ids,ide, jds,jde, kds,kde,                               &
+            ims,ime, jms,jme, kms,kme,                               &
+            its,ite, jts,jte, kts,kte                                )
+   CASE ( RACM_SOA_VBS_HET_KPP )
+       CALL wrf_debug(15,'aerosols_driver calling soa_vbs_het_driver')
+       do ii=its,ite
+          do kk=kts,kte
+             do jj=jts,jte
+                if(chem(ii,kk,jj,p_nu0).lt.1.e07)then
+                   chem(ii,kk,jj,p_nu0)=1.e7
+                endif
+             enddo
+          enddo
+       enddo
+       call soa_vbs_het_driver ( id,ktauc,dtstepc,t_phy,moist,aerwrf,p8w,t8w, &
+            alt,p_phy,chem,rho_phy,dz8w,rh,z,z_at_w,                 &
+            gamn2o5,cn2o5,kn2o5,yclno2,snu,sac,                      &
             h2oaj,h2oai,nu3,ac3,cor3,asulf,ahno3,anh3,               &
             vcsulf_old,vdrog3_vbs,                                   &
             config_flags%kemit,brch_ratio,                           &
             config_flags%do_isorropia,                               &
+            config_flags%do_n2o5het,                                 &
             ids,ide, jds,jde, kds,kde,                               &
             ims,ime, jms,jme, kms,kme,                               &
             its,ite, jts,jte, kts,kte                                ) 

chem/depend.chem

@@ -129,7 +129,7 @@ module_phot_mad.o: module_data_radm2.o
 
 module_phot_fastj.o: module_mosaic_driver.o module_peg_util.o module_data_cbmz.o module_data_mosaic_therm.o
 
-module_ftuv_driver.o: module_wave_data.o module_ftuv_subs.o module_data_sorgam.o module_data_soa_vbs.o
+module_ftuv_driver.o: module_wave_data.o module_ftuv_subs.o module_data_sorgam.o module_data_soa_vbs.o module_data_soa_vbs_het.o
 
 module_ftuv_subs.o: module_wave_data.o
 
@@ -139,15 +139,15 @@ module_input_tracer.o: module_input_tracer_data.o module_input_chem_data.o
 
 module_input_tracer_data.o:
 
-module_input_chem_data.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_cam_mam_initmixrats.o module_data_sorgam_vbs.o ../share/module_chem_share.o
+module_input_chem_data.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o module_cam_mam_initmixrats.o module_data_sorgam_vbs.o ../share/module_chem_share.o
 
-module_input_chem_bioemiss.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o
+module_input_chem_bioemiss.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o
 
-module_input_dust_errosion.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o
+module_input_dust_errosion.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o
 
-module_input_gocart_dms.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o
+module_input_gocart_dms.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o
 
-module_dep_simple.o: module_data_sorgam.o module_aerosols_soa_vbs.o ../share/module_HLaw.o module_chem_utilities.o 
+module_dep_simple.o: module_data_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o ../share/module_HLaw.o module_chem_utilities.o 
 
 module_mosaic_wetscav.o: module_data_mosaic_asect.o module_dep_simple.o
 
@@ -163,14 +163,16 @@ module_bioemi_megan2.o: module_data_megan2.o module_data_mgn2mech.o
 
 module_vertmx_wrf.o:
 
-module_emissions_anthropogenics.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o
+module_emissions_anthropogenics.o: module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o
 
 module_ghg_fluxes.o:
 
 module_data_sorgam.o: module_data_radm2.o
 
 module_data_soa_vbs.o: module_data_radm2.o
 
+module_data_soa_vbs_het.o: module_data_radm2.o
+
 module_data_sorgam_vbs.o: module_data_radm2.o
 
 module_cbmz_lsodes_solver.o:  module_peg_util.o
@@ -231,15 +233,15 @@ module_mosaic_aerdynam_intr.o: module_mosaic_sect_intr.o module_mosaic_aerchem_i
 
 module_mosaic_addemiss.o: module_data_mosaic_asect.o module_data_sorgam.o module_gocart_dust.o
 
-module_dep_simple.o: module_data_sorgam.o module_aerosols_soa_vbs.o
-
 module_mozcart_wetscav.o: ../share/module_HLaw.o module_chem_utilities.o
 
 module_prep_wetscav_sorgam.o: module_mosaic_wetscav.o module_data_sorgam.o module_data_soa_vbs.o
 
 module_aerosols_sorgam.o: module_data_sorgam.o module_mosaic_addemiss.o module_radm.o module_mosaic_wetscav.o
 
-module_aerosols_soa_vbs.o: module_data_soa_vbs.o module_radm.o module_mosaic_addemiss.o module_isocom.o module_isofwd.o module_isorev.o 
+module_aerosols_soa_vbs.o: module_data_soa_vbs.o module_radm.o module_mosaic_addemiss.o
+
+module_aerosols_soa_vbs_het.o: module_data_soa_vbs_het.o module_radm.o module_mosaic_addemiss.o module_isocom.o module_isofwd.o module_isorev.o
 
 module_aerosols_sorgam_vbs.o: module_data_sorgam_vbs.o module_mosaic_wetscav.o
 
@@ -325,20 +327,20 @@ module_cam_mam_mz_aerosols_intr.o: ../phys/module_cam_shr_kind_mod.o  ../phys/mo
 
 module_cam_mam_wetdep.o: ../phys/module_cam_shr_kind_mod.o  ../phys/module_cam_support.o 
 
-module_aer_drydep.o: module_data_sorgam.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_mosaic_drydep.o module_mosaic_driver.o module_cam_mam_aerchem_driver.o
+module_aer_drydep.o: module_data_sorgam.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o  module_aerosols_soa_vbs_het.o module_mosaic_drydep.o module_mosaic_driver.o module_cam_mam_aerchem_driver.o
 
 
 module_interpolate.o:
 
-chemics_init.o: module_cbm4_initmixrats.o module_cbmz_initmixrats.o module_gocart_aerosols.o ../phys/module_data_gocart_dust.o module_data_gocart_seas.o module_data_gocartchem.o module_gocart_chem.o module_dep_simple.o module_ftuv_driver.o module_phot_mad.o module_gocart_chem.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs.o module_mixactivate_wrappers.o module_mosaic_driver.o module_input_chem_data.o module_cam_mam_init.o module_cam_mam_wetscav.o module_prep_wetscav_sorgam.o module_aerosols_sorgam_vbs.o module_phot_tuv.o ../share/module_HLaw.o module_ctrans_grell.o module_mozcart_wetscav.o ../share/module_chem_share.o
+chemics_init.o: module_cbm4_initmixrats.o module_cbmz_initmixrats.o module_gocart_aerosols.o ../phys/module_data_gocart_dust.o module_data_gocart_seas.o module_data_gocartchem.o module_gocart_chem.o module_dep_simple.o module_ftuv_driver.o module_phot_mad.o module_gocart_chem.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o module_mixactivate_wrappers.o module_mosaic_driver.o module_input_chem_data.o module_cam_mam_init.o module_cam_mam_wetscav.o module_prep_wetscav_sorgam.o module_aerosols_sorgam_vbs.o module_phot_tuv.o ../share/module_HLaw.o module_ctrans_grell.o module_mozcart_wetscav.o ../share/module_chem_share.o
 
 module_tropopause.o: module_interpolate.o
 
 module_upper_bc_driver.o: module_tropopause.o
 
-chem_driver.o: module_radm.o ../dyn_em/module_convtrans_prep.o module_chem_utilities.o module_data_radm2.o module_dep_simple.o module_bioemi_simple.o module_vertmx_wrf.o module_phot_mad.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_sorgam_vbs.o module_data_cbmz.o module_cbmz.o module_wetscav_driver.o dry_dep_driver.o emissions_driver.o module_input_tracer.o module_input_tracer_data.o module_tropopause.o module_upper_bc_driver.o module_ctrans_grell.o module_data_soa_vbs.o module_aer_opt_out.o module_data_sorgam.o module_gocart_so2so4.o ../phys/module_cu_camzm_driver.o module_cam_mam_gas_wetdep_driver.o module_dust_load.o module_chem_cup.o ../share/module_trajectory.o ../share/module_chem_share.o
+chem_driver.o: module_radm.o ../dyn_em/module_convtrans_prep.o module_chem_utilities.o module_data_radm2.o module_dep_simple.o module_bioemi_simple.o module_vertmx_wrf.o module_phot_mad.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o module_aerosols_sorgam_vbs.o module_data_cbmz.o module_cbmz.o module_wetscav_driver.o dry_dep_driver.o emissions_driver.o module_input_tracer.o module_input_tracer_data.o module_tropopause.o module_upper_bc_driver.o module_ctrans_grell.o module_data_soa_vbs.o module_data_soa_vbs_het.o module_aer_opt_out.o module_data_sorgam.o module_gocart_so2so4.o ../phys/module_cu_camzm_driver.o module_cam_mam_gas_wetdep_driver.o module_dust_load.o module_chem_cup.o ../share/module_trajectory.o ../share/module_chem_share.o
 
-aerosol_driver.o: module_data_sorgam.o module_aerosols_sorgam.o module_data_soa_vbs.o module_aerosols_soa_vbs.o module_aerosols_sorgam_vbs.o module_mosaic_driver.o
+aerosol_driver.o: module_data_sorgam.o module_aerosols_sorgam.o module_data_soa_vbs.o module_aerosols_soa_vbs.o module_data_soa_vbs_het.o module_aerosols_soa_vbs_het.o module_aerosols_sorgam_vbs.o module_mosaic_driver.o
 
 module_sorgam_aqchem.o: ../share/module_ctrans_aqchem.o module_data_sorgam.o
 
@@ -348,13 +350,13 @@ cloudchem_driver.o: module_mosaic_cloudchem.o module_sorgam_cloudchem.o module_s
 
 photolysis_driver.o: module_phot_mad.o module_phot_fastj.o module_ftuv_driver.o module_phot_tuv.o
 
-mechanism_driver.o: module_data_radm2.o module_radm.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_data_cbmz.o module_cbmz.o
+mechanism_driver.o: module_data_radm2.o module_radm.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o module_data_cbmz.o module_cbmz.o
 
 optical_driver.o: module_optical_averaging.o module_peg_util.o module_data_mosaic_therm.o
 
-emissions_driver.o: module_add_emiss_burn.o module_data_radm2.o module_radm.o module_bioemi_simple.o module_bioemi_beis314.o module_bioemi_megan2.o module_emissions_anthropogenics.o module_cbmz_addemiss.o module_cb05_addemiss.o module_mosaic_addemiss.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_sorgam_vbs.o module_plumerise1.o module_gocart_dust.o module_gocart_dust_afwa.o module_uoc_dust.o module_gocart_seasalt.o module_ghg_fluxes.o module_lightning_nox_driver.o module_cam_mam_addemiss.o
+emissions_driver.o: module_add_emiss_burn.o module_data_radm2.o module_radm.o module_bioemi_simple.o module_bioemi_beis314.o module_bioemi_megan2.o module_emissions_anthropogenics.o module_cbmz_addemiss.o module_cb05_addemiss.o module_mosaic_addemiss.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs_het.o module_aerosols_sorgam_vbs.o module_plumerise1.o module_gocart_dust.o module_gocart_dust_afwa.o module_uoc_dust.o module_gocart_seasalt.o module_ghg_fluxes.o module_lightning_nox_driver.o module_cam_mam_addemiss.o
 
-dry_dep_driver.o: module_data_radm2.o module_aer_drydep.o module_dep_simple.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_sorgam_vbs.o module_mosaic_drydep.o module_mixactivate_wrappers.o ../phys/module_mixactivate.o module_cam_mam_drydep.o ../phys/module_data_cam_mam_asect.o ../phys/module_data_cam_mam_aero.o ../phys/module_cam_support.o
+dry_dep_driver.o: module_data_radm2.o module_aer_drydep.o module_dep_simple.o module_aerosols_sorgam.o module_aerosols_soa_vbs.o module_aerosols_soa_vbs.o module_aerosols_sorgam_vbs.o module_mosaic_drydep.o module_mixactivate_wrappers.o ../phys/module_mixactivate.o module_cam_mam_drydep.o ../phys/module_data_cam_mam_asect.o ../phys/module_data_cam_mam_aero.o ../phys/module_cam_support.o
 
 module_wetscav_driver.o: module_mosaic_wetscav.o module_aerosols_sorgam.o module_aerosols_sorgam_vbs.o module_mozcart_wetscav.o ../phys/module_data_cam_mam_aero.o module_cam_mam_wetscav.o module_aerosols_soa_vbs.o module_prep_wetscav_sorgam.o
 

chem/dry_dep_driver.F

@@ -51,6 +51,7 @@ subroutine dry_dep_driver(id,curr_secs,ktau,dtstep,config_flags,      &
                                          sorgam_vbs_mixactivate, soa_vbs_mixactivate
   USE module_aer_drydep
   USE module_aerosols_soa_vbs, only: soa_vbs_depdriver
+  USE module_aerosols_soa_vbs_het, only: soa_vbs_het_depdriver
 
   USE module_cam_mam_drydep, only:  cam_mam_drydep_driver
 
@@ -569,7 +570,7 @@ subroutine dry_dep_driver(id,curr_secs,ktau,dtstep,config_flags,      &
                ims,ime, jms,jme, kms,kme,                               &
                its,ite, jts,jte, kts,kte                                )
 !!! TUCCELLA
-     CASE ( RACM_SOA_VBS_KPP,RACM_SOA_VBS_AQCHEM_KPP,RACM_SOA_VBS_HET_KPP )
+     CASE ( RACM_SOA_VBS_KPP,RACM_SOA_VBS_AQCHEM_KPP )
        CALL wrf_debug(15,'DOING DRY DEP VELOCITIES FOR SOA_VBS AEROSOLS')
        call soa_vbs_depdriver (id,config_flags,ktau,dtstep,             &
                ust,t_phy,moist,p8w,t8w,rmol,znt,pbl,                    &
@@ -580,6 +581,17 @@ subroutine dry_dep_driver(id,curr_secs,ktau,dtstep,config_flags,      &
                ids,ide, jds,jde, kds,kde,                               &
                ims,ime, jms,jme, kms,kme,                               &
                its,ite, jts,jte, kts,kte                                )
+     CASE ( RACM_SOA_VBS_HET_KPP )
+       CALL wrf_debug(15,'DOING DRY DEP VELOCITIES FOR SOA_VBS_HET AEROSOLS')
+       call soa_vbs_het_depdriver (id,config_flags,ktau,dtstep,             &
+               ust,t_phy,moist,p8w,t8w,rmol,znt,pbl,                    &
+               alt,p_phy,chem,rho_phy,dz8w,rh,z,z_at_w,                 &
+               h2oaj,h2oai,nu3,ac3,cor3,asulf,ahno3,anh3,               &
+               aer_res,ddvel(:,:,numgas+1:num_chem),                    &
+               num_chem-numgas,                                         &
+               ids,ide, jds,jde, kds,kde,                               &
+               ims,ime, jms,jme, kms,kme,                               &
+               its,ite, jts,jte, kts,kte                                )
     CASE (CBMZ_CAM_MAM3_NOAQ, CBMZ_CAM_MAM3_AQ, CBMZ_CAM_MAM7_NOAQ, CBMZ_CAM_MAM7_AQ)
        CALL wrf_debug(15,'DOING DRY DEP VELOCITIES FOR CAM_MAM AEROSOLS')
        call cam_mam_drydep_driver(                                      &