cmaes_readparams.f90 25.5 KB
Newer Older
ofgeorg's avatar
ofgeorg committed
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
      !-------------------------------------------------------------------------
      ! File       :            cmaes_readparams
      !-------------------------------------------------------------------------
      !
      !  Purpose      : reads all parameters nessecary for CMA optimizer from
      !                 a text file and by that avoids recompling every time
      !
      !  Remarks      : modified from PPM library
      !
      !  References   : 
      !
      !  Revisions    :
      !-------------------------------------------------------------------------
    
      SUBROUTINE cmaes_readparams(ctrlfile, info)
16
      USE cmaes_opts_mod
ofgeorg's avatar
ofgeorg committed
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 44 45 46 47 48 49 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 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501
      USE CEC2005
      IMPLICIT NONE
#ifdef __HAVE_MPI__      
      INCLUDE "mpif.h"
#endif

      INTEGER, INTENT(inout)                :: info
      CHARACTER(len=256), INTENT(in)        :: ctrlfile
      CHARACTER(len=10)		:: proc
	  ! Random number generator
      REAL(MK)				:: ZBQLUAB

      !-----------------------------------------------------------------------------
      ! Declaration of local variables
      !-----------------------------------------------------------------------------
      
      INTEGER                               :: i,j
      INTEGER                               :: idx,i1,i2
      CHARACTER(LEN=256)                    :: cbuf
      INTEGER                               :: iUnit
      INTEGER                               :: ILEN,ios
      INTEGER                               :: ilenctrl
      INTEGER                               :: ibc,iline
      CHARACTER(LEN=256)                    :: cvalue,carg
      CHARACTER(LEN=256)                    :: bcloc,tvalue
      LOGICAL                               :: lExist
      INTEGER                               :: ierr
      INTEGER                               :: MPTYPE
      
      
      
#ifdef __HAVE_MPI__
      IF (MY_RANK .EQ. 0) THEN  !only rank 0 reads the file
#endif      
      !-----------------------------------------------------------------------------
      ! Definition of file unit
      !-----------------------------------------------------------------------------
      
      iUnit = 23
      info  = 0
      !-----------------------------------------------------------------------------
      ! Check that the parameter file exists
      !-----------------------------------------------------------------------------
      
      ilenctrl = LEN_TRIM(ctrlfile)         ! length of filename string
      INQUIRE(FILE=ctrlfile(1:ilenctrl), EXIST=lExist)
      IF(.NOT. lExist) THEN
         WRITE(*,'(2A)')'No such file: ',ctrlfile(1:ilenctrl)
         Info = 1
         GOTO 9999
      END IF
      
      !-----------------------------------------------------------------------------
      ! open the file
      !-----------------------------------------------------------------------------
      
      OPEN(iUnit, FILE=ctrlfile(1:ilenctrl), IOSTAT=ios, ACTION='READ')
      IF(ios .NE. 0) THEN
         WRITE(*,'(2A)')'Failed to open file: ',ctrlfile(1:ilenctrl)
         Info = 1
         GOTO 9999
      END IF
      
      !-----------------------------------------------------------------------------
      ! scan file
      !-----------------------------------------------------------------------------
  
      iline = 0
      DO 
         iline = iline + 1        ! increment line 
         READ(iUnit,'(A)',END=100,ERR=200) cbuf 
         ILEN = LEN_TRIM(cbuf)
         
         !--------------------------------------------------------------------------
         !  Skip comment or empty lines 
         !--------------------------------------------------------------------------
         IF(ILEN .GT. 0 .AND. cbuf(1:1) .NE. '#') THEN
            !-----------------------------------------------------------------------
            !  Remove all spaces
            !-----------------------------------------------------------------------
            j = 0
            DO i=1,ILEN
               IF(cbuf(i:i) .NE. ' ') THEN
                  j = j + 1
                  cbuf(j:j) = cbuf(i:i)
               END IF
            END DO
            ILEN = j     ! update length of string
            
            !-----------------------------------------------------------------------
            !  Find position of =
            !-----------------------------------------------------------------------
            idx = INDEX(cbuf,'=')
            
            !-----------------------------------------------------------------------
            !  Exit if = is missing
            !-----------------------------------------------------------------------
            IF(idx .LT. 0) THEN
               WRITE(*,'(A,I5)')'Incorrect line: ',iline
               Info = 1
               GOTO 9999
            END IF
            
            !-----------------------------------------------------------------------
            !  Get argument and value
            !-----------------------------------------------------------------------
            carg   = ADJUSTL(cbuf(1:idx-1))
            cvalue = ADJUSTL(cbuf(idx+1:ILEN))
            
            !-----------------------------------------------------------------------
            !  Convert to upper case
            !-----------------------------------------------------------------------
            !CALL UpperCase(carg,idx-1)

            !-----------------------------------------------------------------------
            !  Parse and read input data
            !-----------------------------------------------------------------------
            IF(carg(1:(idx-1)) .EQ. 'REL_SIGMA') THEN
               READ(cvalue,*,iostat=ios,err=200) options%rel_sigma
            ELSEIF(carg(1:(idx-1)) .EQ. 'ABS_SIGMA') THEN
               READ(cvalue,*,iostat=ios,err=200) options%abs_sigma
!            ELSEIF              
!               iruntag = LEN_TRIM(runtag)
            ELSEIF (carg(1:(idx-1)).EQ.'ALLDIM_LBOUNDS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%alldim_lBounds
            ELSEIF (carg(1:(idx-1)).EQ.'ALLDIM_UBOUNDS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%alldim_uBounds
            ELSEIF (carg(1:(idx-1)).EQ.'DIMENSIONS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%dimensions
            ELSEIF (carg(1:(idx-1)).EQ.'POPSIZE') THEN
               READ(cvalue,*,iostat=ios,err=200) options%PopSize
            ELSEIF (carg(1:(idx-1)).EQ.'USE_CEC') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_CEC
            ELSEIF (carg(1:(idx-1)).EQ.'USE_LJ') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_LJ
            ELSEIF (carg(1:(idx-1)).EQ.'USE_BOBB') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_BOBB
            ELSEIF (carg(1:(idx-1)).EQ.'USE_TIP') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_TIP
            ELSEIF (carg(1:(idx-1)).EQ.'BENCHFCTNR') THEN
               READ(cvalue,*,iostat=ios,err=200) options%Benchfctnr
            ELSEIF (carg(1:(idx-1)).EQ.'OUTPUT_FOLDER') THEN
               READ(cvalue,'(A)',iostat=ios,err=200) options%output_folder
            ELSEIF (carg(1:(idx-1)).EQ.'STOPFITNESS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopFitness
            ELSEIF (carg(1:(idx-1)).EQ.'STOPMAXFUNEVALS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopMaxFunEvals
            ELSEIF (carg(1:(idx-1)).EQ.'STOPMAXITER') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopMaxIter
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTOLX') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTolX
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTOLUPX') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTolUpX
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTOLFUN') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTolFun
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTOLHISTFUN') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTolHistFun
            ELSEIF (carg(1:(idx-1)).EQ.'STOPONWARNINGS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopOnWarnings
        ELSEIF (carg(1:(idx-1)).EQ.'WARNONEQUALFUNCTIONVALUES') THEN
           READ(cvalue,*,iostat=ios,err=200) options%WarnOnEqualFunctionValues
            ELSEIF (carg(1:(idx-1)).EQ.'EVALINITIALX') THEN
               READ(cvalue,*,iostat=ios,err=200) options%EvalInitialX
            ELSEIF (carg(1:(idx-1)).EQ.'PARENTNUMBER') THEN
               READ(cvalue,*,iostat=ios,err=200) options%ParentNumber
            ELSEIF (carg(1:(idx-1)).EQ.'RECOMBINATIONWEIGHTS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%RecombinationWeights
            ELSEIF (carg(1:(idx-1)).EQ.'VERBOSEMODULO') THEN
               READ(cvalue,*,iostat=ios,err=200) options%VerboseModulo
            ELSEIF (carg(1:(idx-1)).EQ.'FLGGENDATA') THEN
               READ(cvalue,*,iostat=ios,err=200) options%flgGenData
            ELSEIF (carg(1:(idx-1)).EQ.'INTGENDATA') THEN
               READ(cvalue,*,iostat=ios,err=200) options%intGenData
            ELSEIF (carg(1:(idx-1)).EQ.'FUNCNAME') THEN
               READ(cvalue,*,iostat=ios,err=200) options%funcName
            ELSEIF (carg(1:(idx-1)).EQ.'PSCMA') THEN
               READ(cvalue,*,iostat=ios,err=200) options%pscma
            ELSEIF (carg(1:(idx-1)).EQ.'PSOWEIGHT') THEN
               READ(cvalue,*,iostat=ios,err=200) options%psoWeight
            ELSEIF (carg(1:(idx-1)).EQ.'PSOFREQ') THEN
               READ(cvalue,*,iostat=ios,err=200) options%psoFreq
            ELSEIF (carg(1:(idx-1)).EQ.'ACCURACY') THEN
               READ(cvalue,*,iostat=ios,err=200) options%accuracy
            ELSEIF (carg(1:(idx-1)).EQ.'GLOBAL_MIN') THEN
               READ(cvalue,*,iostat=ios,err=200) options%global_min
            ELSEIF (carg(1:(idx-1)).EQ.'USE_SEED') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_seed
            ELSEIF (carg(1:(idx-1)).EQ.'SILENTMPI') THEN
               READ(cvalue,*,iostat=ios,err=200) options%silentMPI
            ELSEIF (carg(1:(idx-1)).EQ.'QR_SAMPLING') THEN
               READ(cvalue,*,iostat=ios,err=200) options%qr_sampling
            ELSEIF (carg(1:(idx-1)).EQ.'QR_SAMPLER') THEN
               READ(cvalue,*,iostat=ios,err=200) options%qr_sampler
            ELSEIF (carg(1:(idx-1)).EQ.'QR_SCRAMBLING') THEN
               READ(cvalue,*,iostat=ios,err=200) options%qr_scrambling
            ELSEIF (carg(1:(idx-1)).EQ.'QR_INVERTER') THEN
               READ(cvalue,*,iostat=ios,err=200) options%qr_inverter
            ELSEIF (carg(1:(idx-1)).EQ.'USE_INIT_BOUNDS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_init_bounds
            ELSEIF (carg(1:(idx-1)).EQ.'INIT_LBOUNDS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%init_lBounds
            ELSEIF (carg(1:(idx-1)).EQ.'INIT_UBOUNDS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%init_uBounds
            ELSEIF (carg(1:(idx-1)).EQ.'SEED_FOLDER') THEN
               READ(cvalue,'(A)',iostat=ios,err=200) options%seed_folder
            ELSEIF (carg(1:(idx-1)).EQ.'BENCHMARK') THEN
               READ(cvalue,*,iostat=ios,err=200) options%benchmark
            ELSEIF (carg(1:(idx-1)).EQ.'RECORD_ACCURACY') THEN
               READ(cvalue,*,iostat=ios,err=200) options%record_accuracy
            ELSEIF (carg(1:(idx-1)).EQ.'RESTART_CMA') THEN
               READ(cvalue,*,iostat=ios,err=200) options%restart_cma
            ELSEIF (carg(1:(idx-1)).EQ.'RESTART_TYPE') THEN
               READ(cvalue,*,iostat=ios,err=200) options%restart_type
            ELSEIF (carg(1:(idx-1)).EQ.'RESTARTS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%Restarts
            ELSEIF (carg(1:(idx-1)).EQ.'INCPOPSIZE') THEN
               READ(cvalue,*,iostat=ios,err=200) options%IncPopSize
            ELSEIF (carg(1:(idx-1)).EQ.'RECORD_BESTHIST') THEN
               READ(cvalue,*,iostat=ios,err=200) options%record_besthist
            ELSEIF (carg(1:(idx-1)).EQ.'RECORD_MODULO') THEN
               READ(cvalue,*,iostat=ios,err=200) options%record_modulo
            ELSEIF (carg(1:(idx-1)).EQ.'MAXINCFAC') THEN
               READ(cvalue,*,iostat=ios,err=200) options%MaxIncFac
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_USE') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_use
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_FACTR') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_factr
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_PGTOL') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_pgtol
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_GRAD_STEPSIZE') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_grad_stepsize
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_POSITION') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_position
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_CENTRAL_DIFFERENCE') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_central_difference
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_DGUESS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_dguess
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_STPMAX') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_STPMAX
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_STPMIN') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_STPMIN
            ELSEIF (carg(1:(idx-1)).EQ.'BFGS_GTOL') THEN
               READ(cvalue,*,iostat=ios,err=200) options%BFGS_GTOL
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTIME') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTime
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTIMEHH') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTimeHH
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTIMEMM') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTimeMM
            ELSEIF (carg(1:(idx-1)).EQ.'STOPTIMESS') THEN
               READ(cvalue,*,iostat=ios,err=200) options%StopTimeSS
            ELSEIF (carg(1:(idx-1)).EQ.'CECFOLDERS') THEN
               READ(cvalue,'(A)',iostat=ios,err=200) options%CECFolders
            ELSEIF (carg(1:(idx-1)).EQ.'WRITE_PDB') THEN
               READ(cvalue,*,iostat=ios,err=200) options%write_pdb            
            ELSEIF (carg(1:(idx-1)).EQ.'LJ_COMP') THEN
               READ(cvalue,*,iostat=ios,err=200) options%LJ_comp
            ELSEIF (carg(1:(idx-1)).EQ.'USE_LJ_COMP') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_LJ_comp
            ELSEIF (carg(1:(idx-1)).EQ.'USE_DF') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_DF
            ELSEIF (carg(1:(idx-1)).EQ.'DF_S') THEN
               READ(cvalue,*,iostat=ios,err=200) options%DF_s
            ELSEIF (carg(1:(idx-1)).EQ.'DF_RAST') THEN
               READ(cvalue,*,iostat=ios,err=200) options%DF_rast
            ELSEIF (carg(1:(idx-1)).EQ.'USE_RANDOM_LANDSCAPE') THEN
               READ(cvalue,*,iostat=ios,err=200) options%use_RANDOM_LANDSCAPE
               
            END IF
            
            
        
            
         END IF
      END DO


      !-----------------------------------------------------------------------------
      !  Something went wrong if we got here
      !-----------------------------------------------------------------------------
  200 CONTINUE
      WRITE(*,'(A,I5,2A)') 'Error reading line: ',iline,&
     &                 ' of file: ',ctrlfile(1:ilenctrl)
      ILEN = LEN_TRIM(cbuf)
      WRITE(*,'(A)') cbuf(1:ILEN)
      Info = 1
      GOTO 9999
      
      !-----------------------------------------------------------------------------
      !  End of file
      !-----------------------------------------------------------------------------
  100 Info = 0
      
      !-----------------------------------------------------------------------------
      !  Close file
      !-----------------------------------------------------------------------------
      CLOSE(iUnit)
      
      
      !if seed should be read from file
      IF (options%use_seed) THEN
      !-----------------------------------------------------------------------------
      ! open the file
      !-----------------------------------------------------------------------------
      
      options%seed_folder = TRIM(adjustl(options%seed_folder)) &
     & // '/seed.txt'
      OPEN(iUnit, FILE=options%seed_folder, IOSTAT=ios, ACTION='READ')
      IF(ios .NE. 0) THEN
         WRITE(*,'(2A)')'Failed to open file: ',options%seed_folder
         Info = 1
         GOTO 9999
      END IF
      
      READ(iUnit,*) options%seed

      
      CLOSE(iUnit)
      
      
      
      END IF
      
      
      
      
      
#ifdef __HAVE_MPI__
      END IF
      
      !---------------------------------------------------------------------
      !  Determine MPI data type
      !---------------------------------------------------------------------
#ifdef   __SP
          MPTYPE = MPI_REAL
#else
          MPTYPE = MPI_DOUBLE_PRECISION
#endif
      
      
      !-----------------------------------------------------------------------------
      !  Communicate readin file with all processes
      !-----------------------------------------------------------------------------
      
      CALL MPI_Bcast(options%dimensions,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%rel_sigma,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%abs_sigma,1,MPTYPE,0,MPI_COMM_WORLD,ierr)      
      CALL MPI_Bcast(options%alldim_lBounds,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%alldim_uBounds,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%PopSize,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_CEC,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_LJ,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_TIP,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_BOBB,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%Benchfctnr,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%output_folder,200,MPI_CHARACTER,0,&
     &MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopFitness,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopMaxFunEvals,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopMaxIter,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTolX,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTolUpX,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTolFun,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTolHistFun,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopOnWarnings,1,MPI_LOGICAL,0,MPI_COMM_WORLD,&
     &ierr)
      CALL MPI_Bcast(options%WarnOnEqualFunctionValues,1,MPI_LOGICAL,0,&
     &MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%EvalInitialX,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%ParentNumber,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%RecombinationWeights,1,MPI_INTEGER,0,&
     &MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%VerboseModulo,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%flgGenData,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%intGenData,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%funcName,200,MPI_CHARACTER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%CECFolders,200,MPI_CHARACTER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%silentMPI,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%pscma,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%psoWeight,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%psoFreq,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%accuracy,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%global_min,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_seed,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%seed_folder,200,MPI_CHARACTER,0,MPI_COMM_WORLD,&
     &ierr)
      CALL MPI_Bcast(options%qr_sampling,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%qr_sampler,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%qr_inverter,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_init_bounds,1,MPI_LOGICAL,0,MPI_COMM_WORLD,&
     &ierr)
      CALL MPI_Bcast(options%init_uBounds,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%init_lBounds,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%benchmark,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%record_accuracy,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%restart_cma,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%restart_type,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%Restarts,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%IncPopSize,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%record_besthist,1,MPI_LOGICAL,0,MPI_COMM_WORLD,&
     &ierr)
      CALL MPI_Bcast(options%record_modulo,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%MaxIncFac,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%BFGS_use,1,MPI_LOGICAL,0,MPI_COMM_WORLD,&
     &ierr)
      CALL MPI_Bcast(options%BFGS_position,1,MPI_INTEGER,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%BFGS_factr,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%BFGS_pgtol,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%BFGS_grad_stepsize,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%BFGS_central_difference,1,MPI_LOGICAL,0,&
     &MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%BFGS_dguess,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTime,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTimeHH,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTimeMM,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%StopTimeSS,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%write_pdb,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%LJ_comp,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_LJ_comp,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_DF,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%DF_rast,1,MPI_LOGICAL,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%DF_s,1,MPTYPE,0,MPI_COMM_WORLD,ierr)
      CALL MPI_Bcast(options%use_RANDOM_LANDSCAPE,1,MPI_LOGICAL,0&
     &,MPI_COMM_WORLD,ierr)

      
      
      CALL MPI_BARRIER(MPI_COMM_WORLD, IERR)
#endif      

      !-----------------------------------------------------------------------------
      ! Process readin values
      !-----------------------------------------------------------------------------
      
      
      options%output_folder = trim(adjustl(options%output_folder))
      IF(options%dimensions .NE. 0) THEN    !Dimension must be set!!!!
          ALLOCATE(options%LBounds(options%dimensions))
          ALLOCATE(options%UBounds(options%dimensions))
          

          options%LBounds = options%alldim_lBounds
          options%UBounds = options%alldim_uBounds
          
          ALLOCATE(options%insigma(options%dimensions))
        
        
        IF (options%abs_sigma .NE. 0.0_MK) THEN
            options%insigma(:) = options%abs_sigma
        ELSEIF(options%rel_sigma .NE. 0) THEN
         IF (options%use_init_bounds .EQ. .TRUE.) THEN
            options%insigma(:) = options%rel_sigma*&
      &                       (options%init_uBounds-options%init_lBounds)
         ELSE
            options%insigma(:) = options%rel_sigma*&
      &                       MAXVAL(options%UBounds-options%LBounds)
         END IF
        END IF
        
      IF (options%global_min .NE. 0d0 .AND. options%accuracy .NE. 0d0) THEN
        options%StopFitness = options%global_min + options%accuracy
      END IF
        

      !-------------------------------------------------------------------------
      ! Initalize the Seed for the Programm
      !------------------------------------------------------------------------
      
      IF (options%use_seed .EQ. .FALSE.) THEN
        CALL SYSTEM_CLOCK(options%seed)
      ELSE      
          carg = TRIM(options%seed_folder)
          OPEN(40, FILE=carg,IOSTAT=ios, ACTION='READ')
          IF(ios .NE. 0) THEN
             WRITE(*,'(2A)')'Failed to open file: ',carg
          END IF
          READ (40,*,iostat=ios) options%seed
           IF(ios .NE. 0) THEN
             WRITE(*,'(2A)')'Failed to open file: ',carg
          END IF
      END IF
        
      !-----------------------------------------------------------------------------
      ! Set the inital Starting Point
      !-----------------------------------------------------------------------------
502
       CALL cmaes_startpoint()
ofgeorg's avatar
ofgeorg committed
503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524
        
        
        
      
      
      END IF
      
      
      
      
      
      !-----------------------------------------------------------------------------
      !  Return 
      !-----------------------------------------------------------------------------
      IF (.FALSE.) THEN
 9999 STOP
      END IF
      END SUBROUTINE cmaes_readparams