source/wham/src-M/initialize_p.F

   1       subroutine initialize
   2 C
   3 C Define constants and zero out tables.
   4 C
   5       implicit real*8 (a-h,o-z)
   6       include 'DIMENSIONS'
   7       include 'DIMENSIONS.ZSCOPT'
   8 #ifdef MPI
   9       include 'mpif.h'
  10 #endif
  11       include 'COMMON.IOUNITS'
  12       include 'COMMON.CHAIN'
  13       include 'COMMON.INTERACT'
  14       include 'COMMON.GEO'
  15       include 'COMMON.LOCAL'
  16       include 'COMMON.TORSION'
  17       include 'COMMON.FFIELD'
  18       include 'COMMON.SBRIDGE'
  19       include 'COMMON.MINIM'
  20       include 'COMMON.DERIV'
  21       include "COMMON.WEIGHTS"
  22       include "COMMON.NAMES"
  23       include "COMMON.TIME1"
  24 C
  25 C The following is just to define auxiliary variables used in angle conversion
  26 C
  27       pi=4.0D0*datan(1.0D0)
  28       dwapi=2.0D0*pi
  29       dwapi3=dwapi/3.0D0
  30       pipol=0.5D0*pi
  31       deg2rad=pi/180.0D0
  32       rad2deg=1.0D0/deg2rad
  33       angmin=10.0D0*deg2rad
  34 C
  35 C Define I/O units.
  36 C
  37       inp=    1
  38       iout=   2
  39       ipdbin= 3
  40       ipdb=   7
  41       imol2=  4
  42       igeom=  8
  43       intin=  9
  44       ithep= 11
  45       irotam=12
  46       itorp= 13
  47       itordp= 23
  48       ielep= 14
  49       isidep=15
  50       isidep1=22
  51       iscpp=25
  52       icbase=16
  53       ifourier=20
  54       istat= 17
  55       ientin=18
  56       ientout=19
  57       ibond=28
  58       isccor=29
  59 C
  60 C WHAM files
  61 C
  62       ihist=30
  63       iweight=31
  64       izsc=32
  65 C Lipidic input file for parameters range 60-79
  66       iliptranpar=60
  67 C
  68 C Set default weights of the energy terms.
  69 C
  70       wlong=1.0D0
  71       welec=1.0D0
  72       wtor =1.0D0
  73       wang =1.0D0
  74       wscloc=1.0D0
  75       wstrain=1.0D0
  76 C
  77 C Zero out tables.
  78 C
  79       ndih_constr=0
  80       do i=1,maxres2
  81         do j=1,3
  82           c(j,i)=0.0D0
  83           dc(j,i)=0.0D0
  84         enddo
  85       enddo
  86       do i=1,maxres
  87         do j=1,3
  88           xloc(j,i)=0.0D0
  89         enddo
  90       enddo
  91       do i=1,ntyp
  92         do j=1,ntyp
  93           aa_lip(i,j)=0.0D0
  94           bb_lip(i,j)=0.0D0
  95           aa_aq(i,j)=0.0D0
  96           bb_aq(i,j)=0.0D0
  97           augm(i,j)=0.0D0
  98           sigma(i,j)=0.0D0
  99           r0(i,j)=0.0D0
 100           chi(i,j)=0.0D0
 101         enddo
 102         do j=1,2
 103           bad(i,j)=0.0D0
 104         enddo
 105         chip(i)=0.0D0
 106         alp(i)=0.0D0
 107         sigma0(i)=0.0D0
 108         sigii(i)=0.0D0
 109         rr0(i)=0.0D0
 110         a0thet(i)=0.0D0
 111         do j=1,2
 112          do ichir1=-1,1
 113           do ichir2=-1,1
 114           athet(j,i,ichir1,ichir2)=0.0D0
 115           bthet(j,i,ichir1,ichir2)=0.0D0
 116           enddo
 117          enddo
 118         enddo
 119         do j=0,3
 120           polthet(j,i)=0.0D0
 121         enddo
 122         do j=1,3
 123           gthet(j,i)=0.0D0
 124         enddo
 125         theta0(i)=0.0D0
 126         sig0(i)=0.0D0
 127         sigc0(i)=0.0D0
 128         do j=1,maxlob
 129           bsc(j,i)=0.0D0
 130           do k=1,3
 131             censc(k,j,i)=0.0D0
 132           enddo
 133           do k=1,3
 134             do l=1,3
 135               gaussc(l,k,j,i)=0.0D0
 136             enddo
 137           enddo
 138           nlob(i)=0
 139         enddo
 140       enddo
 141       nlob(ntyp1)=0
 142       dsc(ntyp1)=0.0D0
 143       do i=-maxtor,maxtor
 144         itortyp(i)=0
 145        do iblock=1,2
 146         do j=-maxtor,maxtor
 147           do k=1,maxterm
 148             v1(k,j,i,iblock)=0.0D0
 149             v2(k,j,i,iblock)=0.0D0
 150           enddo
 151         enddo
 152         enddo
 153       enddo
 154       do iblock=1,2
 155        do i=-maxtor,maxtor
 156         do j=-maxtor,maxtor
 157          do k=-maxtor,maxtor
 158           do l=1,maxtermd_1
 159             v1c(1,l,i,j,k,iblock)=0.0D0
 160             v1s(1,l,i,j,k,iblock)=0.0D0
 161             v1c(2,l,i,j,k,iblock)=0.0D0
 162             v1s(2,l,i,j,k,iblock)=0.0D0
 163           enddo !l
 164           do l=1,maxtermd_2
 165            do m=1,maxtermd_2
 166             v2c(m,l,i,j,k,iblock)=0.0D0
 167             v2s(m,l,i,j,k,iblock)=0.0D0
 168            enddo !m
 169           enddo !l
 170         enddo !k
 171        enddo !j
 172       enddo !i
 173       enddo !iblock
 174       do i=1,maxres
 175         itype(i)=0
 176         itel(i)=0
 177       enddo
 178 C Initialize the bridge arrays
 179       ns=0
 180       nss=0
 181       nhpb=0
 182       do i=1,maxss
 183         iss(i)=0
 184       enddo
 185       do i=1,maxdim
 186         dhpb(i)=0.0D0
 187       enddo
 188       do i=1,maxres
 189         ihpb(i)=0
 190         jhpb(i)=0
 191       enddo
 192 C
 193 C Initialize timing.
 194 C
 195       call set_timers
 196 C
 197 C Initialize variables used in minimization.
 198 C
 199 c     maxfun=5000
 200 c     maxit=2000
 201       maxfun=500
 202       maxit=200
 203       tolf=1.0D-2
 204       rtolf=5.0D-4
 205 C
 206 C Initialize the variables responsible for the mode of gradient storage.
 207 C
 208       nfl=0
 209       icg=1
 210       do i=1,14
 211         do j=1,14
 212           if (print_order(i).eq.j) then
 213             iw(print_order(i))=j
 214             goto 1121
 215           endif
 216         enddo
 217 1121    continue
 218       enddo
 219       calc_grad=.false.
 220 C Set timers and counters for the respective routines
 221       t_func = 0.0d0
 222       t_grad = 0.0d0
 223       t_fhel = 0.0d0
 224       t_fbet = 0.0d0
 225       t_ghel = 0.0d0
 226       t_gbet = 0.0d0
 227       t_viol = 0.0d0
 228       t_gviol = 0.0d0
 229       n_func = 0
 230       n_grad = 0
 231       n_fhel = 0
 232       n_fbet = 0
 233       n_ghel = 0
 234       n_gbet = 0
 235       n_viol = 0
 236       n_gviol = 0
 237       n_map = 0
 238 #ifndef SPLITELE
 239       nprint_ene=nprint_ene-1
 240 #endif
 241       return
 242       end
 243 c-------------------------------------------------------------------------
 244       block data nazwy
 245       implicit real*8 (a-h,o-z)
 246       include 'DIMENSIONS'
 247       include 'DIMENSIONS.ZSCOPT'
 248       include 'COMMON.NAMES'
 249       include 'COMMON.WEIGHTS'
 250       include 'COMMON.FFIELD'
 251       data restyp /
 252      &'DD','DAU','DAI','DDB','DSM','DPR','DLY','DAR','DHI','DAS','DGL',
 253      & 'DSG','DGN','DSN','DTH',
 254      &'DYY','DAL','DTY','DTR','DVA','DLE','DIL','DPN','MED','DCY','ZER',
 255      &'CYS','MET','PHE','ILE','LEU','VAL','TRP','TYR','ALA','GLY','THR',
 256      &'SER','GLN','ASN','GLU','ASP','HIS','ARG','LYS','PRO','SME','DBZ',
 257      &'AIB','ABU','D'/
 258       data onelet /
 259      &'z','z','z','z','z','p','k','r','h','d','e','n','q','s','t','g',
 260      &'a','y','w','v','l','i','f','m','c','x',
 261      &'C','M','F','I','L','V','W','Y','A','G','T',
 262      &'S','Q','N','E','D','H','R','K','P','z','z','z','z','X'/
 263       data potname /'LJ','LJK','BP','GB','GBV'/
 264       data ename /
 265      &   "EVDW SC-SC","EVDW2 SC-p","EES p-p","ECORR4 ","ECORR5 ",
 266      &   "ECORR6 ","EELLO ","ETURN3 ","ETURN4 ","ETURN6 ",
 267      &   "EBE bend","ESC SCloc","ETORS ","ETORSD ","EHPB","EVDWPP",
 268      &   "EVDW2_14","ESTR","ESCCOR","EDIHC","EVDW_T","ELT"/
 269       data wname /
 270      &   "WSC","WSCP","WELEC","WCORR","WCORR5","WCORR6","WEL_LOC",
 271      &   "WTURN3","WTURN4","WTURN6","WANG","WSCLOC","WTOR","WTORD",
 272      &   "WHPB","WVDWPP","WSCP14","WBOND","WSCCOR","WDIHC","WSC","WLT"/
 273       data ww0 /1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,
 274      &    1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,1.0d0,0.4d0,1.0d0,1.0d0,
 275      &    0.0d0,0.0,0.0/
 276       data nprint_ene /22/
 277       data print_order /1,2,3,18,11,12,13,14,4,5,6,7,8,9,10,19,
 278      &  16,15,17,20,21,22/
 279       end
 280 c---------------------------------------------------------------------------
 281       subroutine init_int_table
 282       implicit real*8 (a-h,o-z)
 283       include 'DIMENSIONS'
 284       include 'DIMENSIONS.ZSCOPT'
 285 #ifdef MPI
 286       include 'mpif.h'
 287 #endif
 288 #ifdef MP
 289       include 'COMMON.INFO'
 290 #endif
 291       include 'COMMON.CHAIN'
 292       include 'COMMON.INTERACT'
 293       include 'COMMON.LOCAL'
 294       include 'COMMON.SBRIDGE'
 295       include 'COMMON.IOUNITS'
 296       logical scheck,lprint
 297 #ifdef MPL
 298       integer my_sc_int(0:max_fg_Procs-1),my_sc_intt(0:max_fg_Procs),
 299      & my_ele_int(0:max_fg_Procs-1),my_ele_intt(0:max_fg_Procs)
 300 C... Determine the numbers of start and end SC-SC interaction
 301 C... to deal with by current processor.
 302       lprint=.false.
 303       if (lprint)
 304      &write (iout,*) 'INIT_INT_TABLE nres=',nres,' nnt=',nnt,' nct=',nct
 305       n_sc_int_tot=(nct-nnt+1)*(nct-nnt)/2-nss
 306       MyRank=MyID-(MyGroup-1)*fgProcs
 307       call int_bounds(n_sc_int_tot,my_sc_inds,my_sc_inde)
 308       if (lprint)
 309      &  write (iout,*) 'Processor',MyID,' MyRank',MyRank,
 310      &  ' n_sc_int_tot',n_sc_int_tot,' my_sc_inds=',my_sc_inds,
 311      &  ' my_sc_inde',my_sc_inde
 312       ind_sctint=0
 313       iatsc_s=0
 314       iatsc_e=0
 315 #endif
 316       lprint=.false.
 317       do i=1,maxres
 318         nint_gr(i)=0
 319         nscp_gr(i)=0
 320         do j=1,maxint_gr
 321           istart(i,1)=0
 322           iend(i,1)=0
 323           ielstart(i)=0
 324           ielend(i)=0
 325           iscpstart(i,1)=0
 326           iscpend(i,1)=0
 327         enddo
 328       enddo
 329       ind_scint=0
 330       ind_scint_old=0
 331 cd    write (iout,*) 'ns=',ns,' nss=',nss,' ihpb,jhpb',
 332 cd   &   (ihpb(i),jhpb(i),i=1,nss)
 333       do i=nnt,nct-1
 334         scheck=.false.
 335         do ii=1,nss
 336           if (ihpb(ii).eq.i+nres) then
 337             scheck=.true.
 338             jj=jhpb(ii)-nres
 339             goto 10
 340           endif
 341         enddo
 342    10   continue
 343 cd      write (iout,*) 'i=',i,' scheck=',scheck,' jj=',jj
 344         if (scheck) then
 345           if (jj.eq.i+1) then
 346 #ifdef MPL
 347             write (iout,*) 'jj=i+1'
 348             call int_partition(ind_scint,my_sc_inds,my_sc_inde,i,
 349      & iatsc_s,iatsc_e,i+2,nct,nint_gr(i),istart(i,1),iend(i,1),*12)
 350 #else
 351             nint_gr(i)=1
 352             istart(i,1)=i+2
 353             iend(i,1)=nct
 354 #endif
 355           else if (jj.eq.nct) then
 356 #ifdef MPL
 357             write (iout,*) 'jj=nct'
 358             call int_partition(ind_scint,my_sc_inds,my_sc_inde,i,
 359      &  iatsc_s,iatsc_e,i+1,nct-1,nint_gr(i),istart(i,1),iend(i,1),*12)
 360 #else
 361             nint_gr(i)=1
 362             istart(i,1)=i+1
 363             iend(i,1)=nct-1
 364 #endif
 365           else
 366 #ifdef MPL
 367             call int_partition(ind_scint,my_sc_inds,my_sc_inde,i,
 368      & iatsc_s,iatsc_e,i+1,jj-1,nint_gr(i),istart(i,1),iend(i,1),*12)
 369             ii=nint_gr(i)+1
 370             call int_partition(ind_scint,my_sc_inds,my_sc_inde,i,
 371      & iatsc_s,iatsc_e,jj+1,nct,nint_gr(i),istart(i,ii),iend(i,ii),*12)
 372 #else
 373             nint_gr(i)=2
 374             istart(i,1)=i+1
 375             iend(i,1)=jj-1
 376             istart(i,2)=jj+1
 377             iend(i,2)=nct
 378 #endif
 379           endif
 380         else
 381 #ifdef MPL
 382           call int_partition(ind_scint,my_sc_inds,my_sc_inde,i,
 383      &    iatsc_s,iatsc_e,i+1,nct,nint_gr(i),istart(i,1),iend(i,1),*12)
 384 #else
 385           nint_gr(i)=1
 386           istart(i,1)=i+1
 387           iend(i,1)=nct
 388           ind_scint=int_scint+nct-i
 389 #endif
 390         endif
 391 #ifdef MPL
 392         ind_scint_old=ind_scint
 393 #endif
 394       enddo
 395    12 continue
 396 #ifndef MPL
 397       iatsc_s=nnt
 398       iatsc_e=nct-1
 399 #endif
 400 #ifdef MPL
 401       if (lprint) then
 402         write (iout,*) 'Processor',MyID,' Group',MyGroup
 403         write (iout,*) 'iatsc_s=',iatsc_s,' iatsc_e=',iatsc_e
 404       endif
 405 #endif
 406       if (lprint) then
 407       write (iout,'(a)') 'Interaction array:'
 408       do i=iatsc_s,iatsc_e
 409         write (iout,'(i3,2(2x,2i3))')
 410      & i,(istart(i,iint),iend(i,iint),iint=1,nint_gr(i))
 411       enddo
 412       endif
 413       ispp=2
 414 #ifdef MPL
 415 C Now partition the electrostatic-interaction array
 416       npept=nct-nnt
 417       nele_int_tot=(npept-ispp)*(npept-ispp+1)/2
 418       call int_bounds(nele_int_tot,my_ele_inds,my_ele_inde)
 419       if (lprint)
 420      & write (iout,*) 'Processor',MyID,' MyRank',MyRank,
 421      &  ' nele_int_tot',nele_int_tot,' my_ele_inds=',my_ele_inds,
 422      &               ' my_ele_inde',my_ele_inde
 423       iatel_s=0
 424       iatel_e=0
 425       ind_eleint=0
 426       ind_eleint_old=0
 427       do i=nnt,nct-3
 428         ijunk=0
 429         call int_partition(ind_eleint,my_ele_inds,my_ele_inde,i,
 430      &    iatel_s,iatel_e,i+ispp,nct-1,ijunk,ielstart(i),ielend(i),*13)
 431       enddo ! i
 432    13 continue
 433 #else
 434       iatel_s=nnt
 435       iatel_e=nct-3
 436       do i=iatel_s,iatel_e
 437         ielstart(i)=i+2
 438         ielend(i)=nct-1
 439       enddo
 440 #endif
 441       if (lprint) then
 442         write (iout,'(a)') 'Electrostatic interaction array:'
 443         do i=iatel_s,iatel_e
 444           write (iout,'(i3,2(2x,2i3))') i,ielstart(i),ielend(i)
 445         enddo
 446       endif ! lprint
 447 c     iscp=3
 448       iscp=2
 449 C Partition the SC-p interaction array
 450 #ifdef MPL
 451       nscp_int_tot=(npept-iscp+1)*(npept-iscp+1)
 452       call int_bounds(nscp_int_tot,my_scp_inds,my_scp_inde)
 453       if (lprint)
 454      & write (iout,*) 'Processor',MyID,' MyRank',MyRank,
 455      &  ' nscp_int_tot',nscp_int_tot,' my_scp_inds=',my_scp_inds,
 456      &               ' my_scp_inde',my_scp_inde
 457       iatscp_s=0
 458       iatscp_e=0
 459       ind_scpint=0
 460       ind_scpint_old=0
 461       do i=nnt,nct-1
 462         if (i.lt.nnt+iscp) then
 463 cd        write (iout,*) 'i.le.nnt+iscp'
 464           call int_partition(ind_scpint,my_scp_inds,my_scp_inde,i,
 465      &      iatscp_s,iatscp_e,i+iscp,nct,nscp_gr(i),iscpstart(i,1),
 466      &      iscpend(i,1),*14)
 467         else if (i.gt.nct-iscp) then
 468 cd        write (iout,*) 'i.gt.nct-iscp'
 469           call int_partition(ind_scpint,my_scp_inds,my_scp_inde,i,
 470      &      iatscp_s,iatscp_e,nnt,i-iscp,nscp_gr(i),iscpstart(i,1),
 471      &      iscpend(i,1),*14)
 472         else
 473           call int_partition(ind_scpint,my_scp_inds,my_scp_inde,i,
 474      &      iatscp_s,iatscp_e,nnt,i-iscp,nscp_gr(i),iscpstart(i,1),
 475      &      iscpend(i,1),*14)
 476           ii=nscp_gr(i)+1
 477           call int_partition(ind_scpint,my_scp_inds,my_scp_inde,i,
 478      &      iatscp_s,iatscp_e,i+iscp,nct,nscp_gr(i),iscpstart(i,ii),
 479      &      iscpend(i,ii),*14)
 480         endif
 481       enddo ! i
 482    14 continue
 483 #else
 484       iatscp_s=nnt
 485       iatscp_e=nct-1
 486       do i=nnt,nct-1
 487         if (i.lt.nnt+iscp) then
 488           nscp_gr(i)=1
 489           iscpstart(i,1)=i+iscp
 490           iscpend(i,1)=nct
 491         elseif (i.gt.nct-iscp) then
 492           nscp_gr(i)=1
 493           iscpstart(i,1)=nnt
 494           iscpend(i,1)=i-iscp
 495         else
 496           nscp_gr(i)=2
 497           iscpstart(i,1)=nnt
 498           iscpend(i,1)=i-iscp
 499           iscpstart(i,2)=i+iscp
 500           iscpend(i,2)=nct
 501         endif
 502       enddo ! i
 503 #endif
 504       if (lprint) then
 505         write (iout,'(a)') 'SC-p interaction array:'
 506         do i=iatscp_s,iatscp_e
 507           write (iout,'(i3,2(2x,2i3))')
 508      &         i,(iscpstart(i,j),iscpend(i,j),j=1,nscp_gr(i))
 509         enddo
 510       endif ! lprint
 511 C Partition local interactions
 512 #ifdef MPL
 513       call int_bounds(nres-2,loc_start,loc_end)
 514       loc_start=loc_start+1
 515       loc_end=loc_end+1
 516       call int_bounds(nres-2,ithet_start,ithet_end)
 517       ithet_start=ithet_start+2
 518       ithet_end=ithet_end+2
 519       call int_bounds(nct-nnt-2,iphi_start,iphi_end)
 520       iphi_start=iphi_start+nnt+2
 521       iphi_end=iphi_end+nnt+2
 522       call int_bounds(nres-3,itau_start,itau_end)
 523       itau_start=itau_start+3
 524       itau_end=itau_end+3
 525       if (lprint) then
 526         write (iout,*) 'Processor:',MyID,
 527      & ' loc_start',loc_start,' loc_end',loc_end,
 528      & ' ithet_start',ithet_start,' ithet_end',ithet_end,
 529      & ' iphi_start',iphi_start,' iphi_end',iphi_end
 530         write (*,*) 'Processor:',MyID,
 531      & ' loc_start',loc_start,' loc_end',loc_end,
 532      & ' ithet_start',ithet_start,' ithet_end',ithet_end,
 533      & ' iphi_start',iphi_start,' iphi_end',iphi_end
 534       endif
 535       if (fgprocs.gt.1 .and. MyID.eq.BossID) then
 536         write(iout,'(i10,a,i10,a,i10,a/a,i3,a)') n_sc_int_tot,' SC-SC ',
 537      & nele_int_tot,' electrostatic and ',nscp_int_tot,
 538      & ' SC-p interactions','were distributed among',fgprocs,
 539      & ' fine-grain processors.'
 540       endif
 541 #else
 542       loc_start=2
 543       loc_end=nres-1
 544       ithet_start=3
 545       ithet_end=nres
 546       iphi_start=nnt+3
 547       iphi_end=nct
 548       itau_start=4
 549       itau_end=nres
 550 #endif
 551       return
 552       end
 553 c---------------------------------------------------------------------------
 554       subroutine int_partition(int_index,lower_index,upper_index,atom,
 555      & at_start,at_end,first_atom,last_atom,int_gr,jat_start,jat_end,*)
 556       implicit real*8 (a-h,o-z)
 557       include 'DIMENSIONS'
 558       include 'COMMON.IOUNITS'
 559       integer int_index,lower_index,upper_index,atom,at_start,at_end,
 560      & first_atom,last_atom,int_gr,jat_start,jat_end
 561       logical lprn
 562       lprn=.false.
 563       if (lprn) write (iout,*) 'int_index=',int_index
 564       int_index_old=int_index
 565       int_index=int_index+last_atom-first_atom+1
 566       if (lprn)
 567      &   write (iout,*) 'int_index=',int_index,
 568      &               ' int_index_old',int_index_old,
 569      &               ' lower_index=',lower_index,
 570      &               ' upper_index=',upper_index,
 571      &               ' atom=',atom,' first_atom=',first_atom,
 572      &               ' last_atom=',last_atom
 573       if (int_index.ge.lower_index) then
 574         int_gr=int_gr+1
 575         if (at_start.eq.0) then
 576           at_start=atom
 577           jat_start=first_atom-1+lower_index-int_index_old
 578         else
 579           jat_start=first_atom
 580         endif
 581         if (lprn) write (iout,*) 'jat_start',jat_start
 582         if (int_index.ge.upper_index) then
 583           at_end=atom
 584           jat_end=first_atom-1+upper_index-int_index_old
 585           return1
 586         else
 587           jat_end=last_atom
 588         endif
 589         if (lprn) write (iout,*) 'jat_end',jat_end
 590       endif
 591       return
 592       end
 593 c------------------------------------------------------------------------------
 594       subroutine hpb_partition
 595       implicit real*8 (a-h,o-z)
 596       include 'DIMENSIONS'
 597       include 'COMMON.SBRIDGE'
 598       include 'COMMON.IOUNITS'
 599 #ifdef MPL
 600       include 'COMMON.INFO'
 601       call int_bounds(nhpb,link_start,link_end)
 602 #else
 603       link_start=1
 604       link_end=nhpb
 605 #endif
 606 cd    write (iout,*) 'Processor',MyID,' MyRank',MyRank,
 607 cd   &  ' nhpb',nhpb,' link_start=',link_start,
 608 cd   &  ' link_end',link_end
 609       return
 610       end