[2696] | 1 | |
---|
| 2 | // ############################################################################ |
---|
| 3 | // |
---|
| 4 | // create_kpp_module |
---|
| 5 | // |
---|
| 6 | // create scalar code from .f90 sources created by KPP |
---|
| 7 | // |
---|
| 8 | // COPYRIGHT Klaus Ketelsen and MPI-CH April 2007 |
---|
| 9 | // |
---|
| 10 | // ############################################################################ |
---|
| 11 | // |
---|
| 12 | //Current revisions: |
---|
| 13 | //------------------ |
---|
[2768] | 14 | / |
---|
| 15 | / |
---|
[2696] | 16 | //Former revisions: |
---|
| 17 | //----------------- |
---|
| 18 | //$Id: create_kpp_module.C 2470 2017-09-14 13:56:42Z forkel $ |
---|
[3298] | 19 | // forkel 25.09.2018: added automatic line with meechanism name (read mech_list) |
---|
| 20 | // forkel 20.09.2018: added vl_glo = size(tempi,1) |
---|
| 21 | // ketelsen 18.09.2018: Removed creation of fill_ Subroutine and creation of calls thereof |
---|
[2696] | 22 | // |
---|
[3298] | 23 | // forkel 12.09.2018: Fix in order not to loose the values of qvap and fakt |
---|
| 24 | // |
---|
| 25 | // forkel 03.09.2018: Bug fix: moved kppi.add_line(" CALL initialize after fakt = fakti(is) |
---|
| 26 | // forkel June 2018: added qvap and fakt, re-established original uppercase/lowercase |
---|
| 27 | // Deleted definition of qvap,fakt in create_kpp_integrate again |
---|
| 28 | // |
---|
| 29 | // ketelsen July 2018: Changes for vector mode (edit_WAXPY, edit_FunTemplate, edit_JacTemplate, |
---|
| 30 | // some cleanup of comments, various changes in create_kpp_integrate) |
---|
| 31 | // |
---|
| 32 | // forkel June 2018: Added qvap and fakt, re-established original uppercase/lowercase |
---|
| 33 | // |
---|
| 34 | // |
---|
[2768] | 35 | / 2017-09-14 13:56:42Z forkel $ |
---|
[3298] | 36 | // Removed preprocessor directive __chem again |
---|
[2768] | 37 | // |
---|
[3298] | 38 | // 2017-09-14 13:56:42Z forkel $ |
---|
| 39 | // |
---|
[2696] | 40 | // |
---|
| 41 | //added phot |
---|
| 42 | //change of some output to lowercase with uppercase Fortran |
---|
| 43 | // |
---|
[3298] | 44 | // Nov 2016: Intial version of KP4 adapted to PALM (Klaus Ketelsen) |
---|
[2696] | 45 | // |
---|
| 46 | |
---|
| 47 | #include <stdio.h> |
---|
| 48 | // mz_rs_20090111+ |
---|
| 49 | // stdlib is necessary to define getenv: |
---|
| 50 | #include <stdlib.h> |
---|
| 51 | // mz_rs_20090111- |
---|
| 52 | |
---|
| 53 | #include "create_kpp_module.h" |
---|
| 54 | #include "utils.h" |
---|
| 55 | |
---|
| 56 | void create_kpp_module::do_work (string s) { |
---|
| 57 | vector<fortran_file>::iterator it; |
---|
| 58 | vector<string>::iterator ic; |
---|
| 59 | vector<Vvar>::iterator iv; |
---|
| 60 | |
---|
| 61 | expand_decomp exp_de; |
---|
| 62 | |
---|
| 63 | prefix = s; |
---|
| 64 | module_name = prefix; |
---|
| 65 | |
---|
| 66 | cout << "Create " << module_name << " from kpp Fortran sources" <<endl; |
---|
| 67 | cout << "Vector mode " << kpp_switches.is_vector() <<endl; |
---|
[3298] | 68 | cout << "De_indexing " << kpp_switches.de_indexing() <<endl; |
---|
[2696] | 69 | |
---|
| 70 | create_fortran_files_and_read(); |
---|
| 71 | |
---|
| 72 | // Generate first module lines |
---|
| 73 | |
---|
[2768] | 74 | string first_line="MODULE " + module_name; |
---|
[3298] | 75 | mz_kpp.add_line(first_line); |
---|
| 76 | mz_kpp.add_line(" "); |
---|
[2696] | 77 | |
---|
| 78 | // string e5_line = first_line +"_e5"; |
---|
| 79 | // e5_kpp.add_line(e5_line); |
---|
| 80 | // e5_line = " USE " + module_name; |
---|
| 81 | // e5_kpp.add_line(e5_line); |
---|
| 82 | // e5_kpp.add_line(" "); |
---|
| 83 | |
---|
| 84 | // edit include files |
---|
| 85 | |
---|
| 86 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
---|
| 87 | it->edit_inc(header_variables); |
---|
| 88 | |
---|
| 89 | // Create variable Species list and vector variable list |
---|
| 90 | |
---|
| 91 | if(it->get_name() == module_name + "_Parameters") { |
---|
| 92 | it->create_species_list(species_list); |
---|
| 93 | } |
---|
| 94 | if(it->get_name() == module_name + "_Global") { |
---|
| 95 | it->vector_variable_list(Vvar_list); |
---|
| 96 | } |
---|
| 97 | } |
---|
| 98 | |
---|
| 99 | // Prepare expansion of decomposition subroutine |
---|
| 100 | |
---|
| 101 | if(kpp_switches.de_indexing () > 0 ) { |
---|
| 102 | exp_de.create_sparse_info (kpp_includes, module_name); |
---|
| 103 | } |
---|
| 104 | |
---|
| 105 | // edit FORTRAN files |
---|
| 106 | |
---|
| 107 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
---|
| 108 | it->edit_fortran (); |
---|
| 109 | } |
---|
| 110 | |
---|
| 111 | // Generate a list of single subroutines from kpp-files |
---|
| 112 | // kpp files are modules containing several subroutines |
---|
| 113 | |
---|
| 114 | copy_files_to_subroutines (); |
---|
| 115 | |
---|
| 116 | // All header_variables to include list |
---|
| 117 | |
---|
| 118 | kpp_includes.push_back(header_variables); |
---|
| 119 | |
---|
| 120 | // Create decomposition subroutine |
---|
| 121 | if(kpp_switches.de_indexing () > 0 ) { |
---|
| 122 | exp_de.create_routine (kpp_subroutines); |
---|
| 123 | } |
---|
| 124 | |
---|
| 125 | if(kpp_switches.is_vector()) { |
---|
| 126 | |
---|
[3298] | 127 | cout << "##### Hier kpp_switches.is_vector " <<endl; |
---|
[2696] | 128 | // Change header section |
---|
| 129 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
---|
| 130 | it->edit_inc_vec(global_variable_list); |
---|
| 131 | } |
---|
| 132 | |
---|
| 133 | // Change global variables to vector |
---|
| 134 | |
---|
| 135 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
---|
| 136 | it->global_variables2vector (global_variable_list); |
---|
| 137 | } |
---|
| 138 | |
---|
| 139 | // Edit individual subroutines |
---|
| 140 | |
---|
| 141 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
---|
| 142 | if(it->get_name() == "KppDecomp") { |
---|
| 143 | it->edit_KppDecomp(); |
---|
| 144 | } |
---|
| 145 | if(it->get_name() == "KppSolve") { |
---|
| 146 | it->edit_KppSolve(); |
---|
| 147 | } |
---|
| 148 | if(it->get_name() == "Jac_SP" ) { |
---|
| 149 | it->edit_Jac_SP(); |
---|
| 150 | } |
---|
| 151 | if(it->get_name() == "Fun" ) { |
---|
| 152 | it->edit_Fun(); |
---|
| 153 | } |
---|
[3298] | 154 | if(it->get_name() == "WAXPY" ) { |
---|
| 155 | it->edit_WAXPY(); |
---|
| 156 | } |
---|
| 157 | if(it->get_name() == "FunTemplate" ) { |
---|
| 158 | it->edit_FunTemplate(); |
---|
| 159 | } |
---|
| 160 | if(it->get_name() == "JacTemplate" ) { |
---|
| 161 | it->edit_JacTemplate(); |
---|
| 162 | } |
---|
[2696] | 163 | } |
---|
[3298] | 164 | // cout << "## after Edit individual subroutines " <<endl; |
---|
[2696] | 165 | |
---|
| 166 | } |
---|
| 167 | |
---|
| 168 | // Update_RCONST has to be changed also in scalar mode |
---|
| 169 | |
---|
| 170 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
---|
[3298] | 171 | if(it->get_name() == "Update_RCONST") { |
---|
[2696] | 172 | it->edit_Update_RCONST(Vvar_list); |
---|
| 173 | } |
---|
[3298] | 174 | |
---|
| 175 | if(it->get_name() == "Initialize") { |
---|
| 176 | it->edit_Initialize(Vvar_list); |
---|
| 177 | } |
---|
| 178 | |
---|
[2696] | 179 | } |
---|
| 180 | |
---|
| 181 | // Add Solver template to subroutine list |
---|
| 182 | if(kpp_switches.is_vector()) { |
---|
| 183 | add_solver_to_subroutine_list (); |
---|
| 184 | } |
---|
| 185 | |
---|
| 186 | // The module header will be taken from ../templates/module_header. |
---|
| 187 | // Please edit if header has to be changed. |
---|
| 188 | |
---|
| 189 | generate_module_header(); |
---|
| 190 | |
---|
| 191 | // Create kpp_integrate subroutine (chem_gasphase_integrate) for skalar and vector mode |
---|
| 192 | |
---|
| 193 | create_kpp_integrate(); |
---|
| 194 | // Copy include files |
---|
| 195 | |
---|
| 196 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
---|
| 197 | it->copy_to_MZ_KPP(mz_kpp); |
---|
| 198 | } |
---|
| 199 | |
---|
| 200 | mz_kpp.add_line(" "); |
---|
| 201 | mz_kpp.add_line("! Interface Block "); |
---|
| 202 | mz_kpp.add_line(" "); |
---|
| 203 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
---|
| 204 | string buf; |
---|
| 205 | |
---|
| 206 | string prefix = " "; |
---|
| 207 | for(ic=interface_ignore.begin();ic!=interface_ignore.end();ic++) { |
---|
| 208 | if(it->get_name() == *ic) { |
---|
| 209 | prefix = "!interface not working "; |
---|
| 210 | break; |
---|
| 211 | } |
---|
| 212 | } |
---|
| 213 | |
---|
[3298] | 214 | buf = prefix + "interface " + it->get_name() ; |
---|
[2696] | 215 | mz_kpp.add_line(buf); |
---|
[3298] | 216 | buf = prefix + " module procedure " + it->get_name(); |
---|
[2696] | 217 | mz_kpp.add_line(buf); |
---|
[3298] | 218 | buf = prefix + "end interface " + it->get_name(); |
---|
[2696] | 219 | mz_kpp.add_line(buf); |
---|
| 220 | mz_kpp.add_line(" "); |
---|
| 221 | } |
---|
| 222 | |
---|
| 223 | mz_kpp.add_line(" "); |
---|
| 224 | |
---|
| 225 | |
---|
| 226 | // Copy FORTRAN subroutines to mz_kpp |
---|
| 227 | |
---|
| 228 | mz_kpp.add_line(" CONTAINS"); |
---|
| 229 | |
---|
| 230 | for(it=kpp_subroutines.begin();it!=kpp_subroutines.end();it++) { |
---|
| 231 | mz_kpp.add_line(" "); |
---|
| 232 | it->copy_to_MZ_KPP(mz_kpp); |
---|
| 233 | } |
---|
| 234 | |
---|
| 235 | // Finish module |
---|
| 236 | |
---|
[3298] | 237 | string last_line="end module " + module_name; |
---|
| 238 | mz_kpp.add_line(""); |
---|
| 239 | mz_kpp.add_line(last_line); |
---|
[2696] | 240 | |
---|
| 241 | // Write the complete module to file: mz_kpp.f |
---|
| 242 | |
---|
| 243 | write_module_file(); |
---|
| 244 | |
---|
| 245 | return; |
---|
| 246 | } |
---|
| 247 | |
---|
| 248 | void create_kpp_module::create_fortran_files_and_read() { |
---|
| 249 | |
---|
| 250 | string name; |
---|
| 251 | ifstream in,in_c,in_b,in_i; |
---|
| 252 | fortran_file f_file; |
---|
| 253 | vector<fortran_file>::iterator it; |
---|
| 254 | |
---|
| 255 | // Open file with list of FORTRAN routines |
---|
| 256 | |
---|
| 257 | in.open("file_list"); |
---|
| 258 | if( !in ) { |
---|
| 259 | cout << "cannot open " << endl; my_abort("file_list"); |
---|
| 260 | } |
---|
| 261 | |
---|
| 262 | // Create kpp_fortran routines |
---|
| 263 | while ( 1 ) { |
---|
| 264 | in >> name; |
---|
| 265 | if( in.eof() ) break; |
---|
| 266 | if( in.bad() ) my_abort("ERROR_READ_1"); |
---|
| 267 | f_file.set_name(name); |
---|
| 268 | kpp_files.push_back(f_file); |
---|
| 269 | } |
---|
| 270 | in.close(); |
---|
| 271 | |
---|
| 272 | // Read FORTRAN code |
---|
| 273 | |
---|
| 274 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
---|
| 275 | it->read(); |
---|
| 276 | } |
---|
| 277 | |
---|
| 278 | // Open file with list of include files |
---|
| 279 | |
---|
| 280 | in_c.open("include_list"); |
---|
| 281 | if( !in_c ) { |
---|
| 282 | cout << "cannot open " << endl; my_abort("include_list"); |
---|
| 283 | } |
---|
| 284 | |
---|
| 285 | // Create kpp_includes vector |
---|
| 286 | while ( 1 ) { |
---|
| 287 | in_c >> name; |
---|
| 288 | if( in_c.eof() ) break; |
---|
| 289 | if( in_c.bad() ) my_abort("ERROR_READ_3"); |
---|
| 290 | f_file.set_name(name); |
---|
| 291 | kpp_includes.push_back(f_file); |
---|
| 292 | } |
---|
| 293 | in_c.close(); |
---|
| 294 | |
---|
| 295 | // Read include files |
---|
| 296 | |
---|
| 297 | for(it=kpp_includes.begin();it!=kpp_includes.end();it++) { |
---|
| 298 | it->read(); |
---|
| 299 | } |
---|
| 300 | |
---|
| 301 | // Read Ignore list |
---|
| 302 | |
---|
| 303 | in_i.open("interface_ignore_list"); |
---|
| 304 | if( !in_i ) { |
---|
| 305 | cout << "cannot open " << endl; my_abort("include_list"); |
---|
| 306 | } |
---|
| 307 | |
---|
| 308 | // Create kpp_includes vector |
---|
| 309 | while ( 1 ) { |
---|
| 310 | in_i >> name; |
---|
| 311 | if( in_i.eof() ) break; |
---|
| 312 | if( in_i.bad() ) my_abort("ERROR_READ_4"); |
---|
| 313 | interface_ignore.push_back(name); |
---|
| 314 | } |
---|
| 315 | in_c.close(); |
---|
| 316 | |
---|
| 317 | } |
---|
| 318 | |
---|
| 319 | void create_kpp_module::copy_files_to_subroutines () { |
---|
| 320 | string name; |
---|
| 321 | ifstream in; |
---|
| 322 | fortran_file s_file; |
---|
| 323 | vector<fortran_file>::iterator it; |
---|
| 324 | |
---|
| 325 | // Open file with list of FORTRAN routines |
---|
| 326 | |
---|
| 327 | in.open("subroutine_list"); |
---|
| 328 | if( !in ) { |
---|
| 329 | cout << "cannot open " << endl; my_abort("subroutine_list"); |
---|
| 330 | } |
---|
| 331 | |
---|
| 332 | // Create vector kpp_subroutines |
---|
| 333 | |
---|
| 334 | while ( 1 ) { |
---|
| 335 | in >> name; |
---|
| 336 | if( in.eof() ) break; |
---|
| 337 | if( in.bad() ) my_abort("ERROR_READ_S1"); |
---|
| 338 | s_file.set_name(name); |
---|
| 339 | kpp_subroutines.push_back(s_file); |
---|
| 340 | } |
---|
| 341 | in.close(); |
---|
| 342 | |
---|
| 343 | header_variables.add_line(" "); |
---|
| 344 | header_variables.add_line("! variable definations from individual module headers "); |
---|
| 345 | header_variables.add_line(" "); |
---|
| 346 | |
---|
| 347 | // Loop over all FORTRAN Files |
---|
| 348 | |
---|
| 349 | for(it=kpp_files.begin();it!=kpp_files.end();it++) { |
---|
| 350 | it->copy_to_subroutine_vector(kpp_subroutines, header_variables); |
---|
| 351 | } |
---|
| 352 | } |
---|
| 353 | |
---|
| 354 | void create_kpp_module::add_solver_to_subroutine_list () { |
---|
| 355 | fortran_file s_file; |
---|
| 356 | |
---|
| 357 | string solver_name = getenv("KPP_SOLVER"); |
---|
| 358 | cout << "KPP_SOLVER " <<solver_name <<endl; |
---|
| 359 | |
---|
| 360 | s_file.set_name(solver_name); |
---|
| 361 | s_file.read(); |
---|
| 362 | kpp_subroutines.push_back(s_file); |
---|
| 363 | |
---|
| 364 | return; |
---|
| 365 | } |
---|
| 366 | |
---|
| 367 | void create_kpp_module::generate_module_header() { |
---|
| 368 | |
---|
| 369 | string buf; |
---|
| 370 | ifstream in; |
---|
| 371 | ifstream in_e5; |
---|
| 372 | program_line line; |
---|
| 373 | vector<fortran_file>::iterator it; |
---|
| 374 | char distr[2]; |
---|
| 375 | string diline; |
---|
| 376 | |
---|
[3298] | 377 | // Read mechanism from mech_list |
---|
| 378 | |
---|
| 379 | in.open("mech_list"); |
---|
| 380 | if( !in ) { |
---|
| 381 | cout << "cannot open " << endl; my_abort("mech_list"); |
---|
| 382 | } |
---|
| 383 | |
---|
| 384 | while ( 1 ) { |
---|
| 385 | getline (in, buf); |
---|
| 386 | if( in.eof() ) break; |
---|
| 387 | if( in.bad() ) my_abort("ERROR_READ_4"); |
---|
| 388 | line.set_line(buf); |
---|
| 389 | mz_kpp.add_line(line); |
---|
| 390 | } |
---|
| 391 | in.close(); |
---|
| 392 | |
---|
| 393 | |
---|
[2696] | 394 | // Read Modul Header from file $MZ_KPP_HOME/templates/module_header |
---|
| 395 | |
---|
| 396 | in.open("module_header"); |
---|
| 397 | if( !in ) { |
---|
| 398 | cout << "cannot open " << endl; my_abort("module_header"); |
---|
| 399 | } |
---|
| 400 | |
---|
| 401 | while ( 1 ) { |
---|
| 402 | getline (in, buf); |
---|
| 403 | if( in.eof() ) break; |
---|
| 404 | if( in.bad() ) my_abort("ERROR_READ_4"); |
---|
| 405 | line.set_line(buf); |
---|
| 406 | mz_kpp.add_line(line); |
---|
| 407 | } |
---|
| 408 | mz_kpp.add_line(" "); |
---|
| 409 | mz_kpp.add_line("! Variables used for vector mode "); |
---|
| 410 | mz_kpp.add_line(" "); |
---|
| 411 | if(kpp_switches.is_vector()) { |
---|
[3298] | 412 | mz_kpp.add_line(" logical,parameter :: L_VECTOR = .TRUE. "); |
---|
[2696] | 413 | } else { |
---|
[3298] | 414 | mz_kpp.add_line(" logical,parameter :: L_VECTOR = .FALSE. "); |
---|
[2696] | 415 | } |
---|
| 416 | // mz_pj_20070531+ |
---|
| 417 | sprintf(distr,"%i",kpp_switches.de_indexing()); |
---|
| 418 | diline = distr ; |
---|
[3298] | 419 | mz_kpp.add_line(" integer,parameter :: I_LU_DI = " + diline ); |
---|
[2696] | 420 | // mz_pj_20070531- |
---|
| 421 | |
---|
[3298] | 422 | mz_kpp.add_line(" integer,parameter :: VL_DIM = " |
---|
| 423 | + kpp_switches.get_vector_length() ); |
---|
| 424 | mz_kpp.add_line(" integer :: vl "); |
---|
[2696] | 425 | mz_kpp.add_line(" "); |
---|
[3298] | 426 | mz_kpp.add_line(" integer :: VL_glo "); |
---|
| 427 | mz_kpp.add_line(" integer :: is,ie "); |
---|
[2696] | 428 | mz_kpp.add_line(" "); |
---|
[3298] | 429 | mz_kpp.add_line(" "); |
---|
| 430 | mz_kpp.add_line(" integer, dimension(VL_dim) :: Kacc,Krej "); |
---|
| 431 | mz_kpp.add_line(" integer, dimension(VL_dim) :: IERRV "); |
---|
| 432 | mz_kpp.add_line(" logical :: data_loaded = .false. "); |
---|
| 433 | |
---|
[2696] | 434 | in.close(); |
---|
| 435 | |
---|
| 436 | return; |
---|
| 437 | } |
---|
| 438 | |
---|
| 439 | void create_kpp_module::write_module_file() { |
---|
| 440 | ofstream out; |
---|
| 441 | ofstream out_e5; |
---|
| 442 | |
---|
| 443 | string out_file = "kk_kpp.f90"; |
---|
| 444 | out.open(out_file.c_str(), ios::out); |
---|
| 445 | if( !out ) { |
---|
| 446 | cout << "cannot open " << endl; my_abort(out_file); |
---|
| 447 | } |
---|
| 448 | |
---|
| 449 | mz_kpp.write_file (out); |
---|
| 450 | |
---|
| 451 | out.close(); |
---|
| 452 | |
---|
| 453 | |
---|
| 454 | return; |
---|
| 455 | } |
---|
| 456 | |
---|
| 457 | void create_kpp_module::create_kpp_integrate() { |
---|
| 458 | fortran_file kppi; |
---|
| 459 | vector<Vvar>::iterator iv; |
---|
| 460 | string line; |
---|
| 461 | |
---|
| 462 | kppi.set_name("chem_gasphase_integrate"); |
---|
| 463 | |
---|
[3298] | 464 | kppi.add_line("SUBROUTINE chem_gasphase_integrate (time_step_len, conc, tempi, qvapi, fakti, photo, ierrf, xnacc, xnrej, istatus, l_debug, pe, icntrl_i, rcntrl_i ) "); |
---|
[2696] | 465 | kppi.add_line(" "); |
---|
| 466 | kppi.add_line(" IMPLICIT NONE "); |
---|
| 467 | kppi.add_line(" "); |
---|
| 468 | |
---|
[3298] | 469 | kppi.add_line(" REAL(dp), INTENT(IN) :: time_step_len "); |
---|
[2696] | 470 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(INOUT) :: conc "); |
---|
[3298] | 471 | kppi.add_line(" REAL(dp), DIMENSION(:,:), INTENT(IN) :: photo "); |
---|
| 472 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: tempi "); |
---|
| 473 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: qvapi "); |
---|
| 474 | kppi.add_line(" REAL(dp), DIMENSION(:), INTENT(IN) :: fakti "); |
---|
| 475 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: ierrf(:) "); |
---|
| 476 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xNacc(:) "); |
---|
| 477 | kppi.add_line(" INTEGER, INTENT(OUT), OPTIONAL :: xNrej(:) "); |
---|
| 478 | kppi.add_line(" INTEGER, INTENT(INOUT), OPTIONAL :: istatus(:) "); |
---|
| 479 | kppi.add_line(" INTEGER, INTENT(IN), OPTIONAL :: PE "); |
---|
| 480 | kppi.add_line(" LOGICAL, INTENT(IN), OPTIONAL :: l_debug "); |
---|
| 481 | kppi.add_line(" INTEGER, DIMENSION(nkppctrl),INTENT(IN), OPTIONAL :: icntrl_i "); |
---|
| 482 | kppi.add_line(" REAL(dp), DIMENSION(nkppctrl),INTENT(IN), OPTIONAL :: rcntrl_i "); |
---|
[2696] | 483 | kppi.add_line(" "); |
---|
| 484 | kppi.add_line(" INTEGER :: k ! loop variable "); |
---|
| 485 | kppi.add_line(" REAL(dp) :: dt "); |
---|
[3298] | 486 | kppi.add_line(" integer, dimension(20) :: istatus_u "); |
---|
| 487 | kppi.add_line(" integer :: ierr_u "); |
---|
| 488 | kppi.add_line(" integer :: istatf "); |
---|
| 489 | kppi.add_line(" integer :: vl_dim_lo "); |
---|
[2696] | 490 | kppi.add_line(" "); |
---|
| 491 | kppi.add_line(" "); |
---|
[3298] | 492 | kppi.add_line(" if (present (istatus) ) istatus = 0 "); |
---|
| 493 | kppi.add_line(" if (present (icntrl_i) ) icntrl = icntrl_i "); |
---|
| 494 | kppi.add_line(" if (present (rcntrl_i) ) rcntrl = rcntrl_i "); |
---|
[2696] | 495 | kppi.add_line(" "); |
---|
[3298] | 496 | kppi.add_line(" vl_glo = size(tempi,1) "); |
---|
| 497 | kppi.add_line(" "); |
---|
| 498 | kppi.add_line(" vl_dim_lo = VL_DIM "); |
---|
| 499 | kppi.add_line(" DO k=1,VL_glo,vl_dim_lo "); |
---|
[2696] | 500 | kppi.add_line(" is = k "); |
---|
[3298] | 501 | kppi.add_line(" ie = min(k+vl_dim_lo-1,VL_glo) "); |
---|
[2696] | 502 | kppi.add_line(" vl = ie-is+1 "); |
---|
| 503 | |
---|
| 504 | kppi.add_line(" "); |
---|
| 505 | if(kpp_switches.is_vector()) { |
---|
[3298] | 506 | kppi.add_line(" C(1:vl,:) = Conc(is:ie,:) "); |
---|
[2696] | 507 | } else { |
---|
[3298] | 508 | kppi.add_line(" C(:) = Conc(is,:) "); |
---|
[2696] | 509 | } |
---|
[3298] | 510 | |
---|
[2696] | 511 | kppi.add_line(" "); |
---|
| 512 | if(kpp_switches.is_vector()) { |
---|
[3298] | 513 | kppi.add_line(" temp(1:vl) = tempi(is:ie) "); |
---|
[2696] | 514 | } else { |
---|
[3298] | 515 | kppi.add_line(" temp = tempi(is) "); |
---|
[2696] | 516 | } |
---|
| 517 | kppi.add_line(" "); |
---|
| 518 | if(kpp_switches.is_vector()) { |
---|
[3298] | 519 | kppi.add_line(" qvap(1:vl) = qvapi(is:ie) "); |
---|
| 520 | } else { |
---|
| 521 | kppi.add_line(" qvap = qvapi(is) "); |
---|
| 522 | } |
---|
| 523 | kppi.add_line(" "); |
---|
| 524 | if(kpp_switches.is_vector()) { |
---|
| 525 | kppi.add_line(" fakt(1:vl) = fakti(is:ie) "); |
---|
| 526 | } else { |
---|
| 527 | kppi.add_line(" fakt = fakti(is) "); |
---|
| 528 | } |
---|
| 529 | |
---|
| 530 | kppi.add_line(" "); |
---|
| 531 | kppi.add_line(" CALL initialize "); |
---|
| 532 | |
---|
| 533 | kppi.add_line(" "); |
---|
| 534 | if(kpp_switches.is_vector()) { |
---|
[2696] | 535 | kppi.add_line(" phot(1:vl,:) = photo(is:ie,:) "); |
---|
| 536 | } else { |
---|
| 537 | kppi.add_line(" phot(:) = photo(is,:) "); |
---|
| 538 | } |
---|
| 539 | kppi.add_line(" "); |
---|
| 540 | kppi.add_line(" CALL update_rconst "); |
---|
| 541 | kppi.add_line(" "); |
---|
| 542 | kppi.add_line(" dt = time_step_len "); |
---|
| 543 | kppi.add_line(" "); |
---|
| 544 | kppi.add_line(" ! integrate from t=0 to t=dt "); |
---|
| 545 | kppi.add_line(" CALL integrate(0._dp, dt, icntrl, rcntrl, istatus_u = istatus_u, ierr_u=ierr_u)"); |
---|
| 546 | kppi.add_line(" "); |
---|
| 547 | kppi.add_line(" "); |
---|
| 548 | if(kpp_switches.is_vector()) { |
---|
[3298] | 549 | kppi.add_line(" Conc(is:ie,:) = C(1:VL,:) "); |
---|
[2696] | 550 | } else { |
---|
[3298] | 551 | kppi.add_line(" IF (PRESENT(l_debug) .AND. PRESENT(PE)) THEN "); |
---|
| 552 | kppi.add_line(" IF (l_debug) CALL error_output(Conc(is,:),ierr_u, PE) "); |
---|
| 553 | kppi.add_line(" ENDIF "); |
---|
| 554 | kppi.add_line(" "); |
---|
| 555 | kppi.add_line(" Conc(is,:) = C(:) "); |
---|
[2696] | 556 | } |
---|
| 557 | |
---|
| 558 | kppi.add_line(" "); |
---|
| 559 | kppi.add_line(" ! Return Diagnostic Information "); |
---|
| 560 | kppi.add_line(" "); |
---|
| 561 | if(kpp_switches.is_vector()) { |
---|
[3298] | 562 | kppi.add_line(" if(Present(ierrf)) ierrf(is:ie) = IERRV(1:VL) "); |
---|
| 563 | kppi.add_line(" if(Present(xNacc)) xNacc(is:ie) = Kacc(1:VL) "); |
---|
| 564 | kppi.add_line(" if(Present(xNrej)) xNrej(is:ie) = Krej(1:VL) "); |
---|
[2696] | 565 | } else { |
---|
[3298] | 566 | kppi.add_line(" if(Present(ierrf)) ierrf(is) = IERR_U "); |
---|
| 567 | kppi.add_line(" if(Present(xNacc)) xNacc(is) = istatus_u(4) "); |
---|
| 568 | kppi.add_line(" if(Present(xNrej)) xNrej(is) = istatus_u(5) "); |
---|
[2696] | 569 | } |
---|
| 570 | kppi.add_line(" "); |
---|
[3298] | 571 | kppi.add_line(" if (present (istatus) ) then "); |
---|
[2696] | 572 | if(kpp_switches.is_vector()) { |
---|
[3298] | 573 | kppi.add_line(" istatus(4) = istatus(4) + sum(Kacc(1:VL)) "); |
---|
| 574 | kppi.add_line(" istatus(5) = istatus(5) + sum(Krej(1:VL)) "); |
---|
[2696] | 575 | kppi.add_line(" istatus(3) = istatus(4) + istatus(5) "); |
---|
| 576 | kppi.add_line(" istatus(6) = istatus(6) + istatus_u(6) "); |
---|
| 577 | kppi.add_line(" istatus(7) = istatus(7) + istatus_u(7) "); |
---|
| 578 | } else { |
---|
| 579 | kppi.add_line(" istatus(1:8) = istatus(1:8) + istatus_u(1:8) "); |
---|
| 580 | } |
---|
[3298] | 581 | kppi.add_line(" end if "); |
---|
[2696] | 582 | kppi.add_line(" "); |
---|
| 583 | kppi.add_line(" END DO "); |
---|
| 584 | kppi.add_line(" "); |
---|
| 585 | |
---|
| 586 | kppi.add_line(" "); |
---|
| 587 | kppi.add_line("! Deallocate input arrays "); |
---|
| 588 | kppi.add_line(" "); |
---|
| 589 | for(iv=Vvar_list.begin();iv!=Vvar_list.end();iv++) { |
---|
[3298] | 590 | // kppi.add_line(" if (allocated("+ iv->name +")) deallocate("+ iv->name +" ) "); |
---|
[2696] | 591 | } |
---|
| 592 | |
---|
| 593 | kppi.add_line(" "); |
---|
| 594 | kppi.add_line(" data_loaded = .false. "); |
---|
| 595 | kppi.add_line(" "); |
---|
[3298] | 596 | kppi.add_line(" return "); |
---|
[2696] | 597 | kppi.add_line("END SUBROUTINE chem_gasphase_integrate "); |
---|
| 598 | |
---|
| 599 | // e5_subroutines.push_back(kppi); |
---|
| 600 | kpp_subroutines.push_back(kppi); |
---|
| 601 | |
---|
| 602 | return; |
---|
| 603 | } |
---|
| 604 | |
---|