source/unres/src-HCD-5D/timing.F

   1 C $Date: 1994/10/05 16:41:52 $
   2 C $Revision: 2.2 $
   3 C
   4 C
   5 C
   6       subroutine set_timers
   7 c
   8       implicit none
   9       double precision tcpu
  10       include 'COMMON.TIME1'
  11 #ifdef MP
  12       include 'mpif.h'
  13 #endif
  14 C Diminish the assigned time limit a little so that there is some time to
  15 C end a batch job
  16 c     timlim=batime-150.0
  17 C Calculate the initial time, if it is not zero (e.g. for the SUN).
  18       stime=tcpu()
  19 #ifdef MPI
  20       walltime=MPI_WTIME()
  21       time_reduce=0.0d0
  22       time_allreduce=0.0d0
  23       time_bcast=0.0d0
  24       time_gather=0.0d0
  25       time_sendrecv=0.0d0
  26       time_scatter=0.0d0
  27       time_scatter_fmat=0.0d0
  28       time_scatter_ginv=0.0d0
  29       time_scatter_fmatmult=0.0d0
  30       time_scatter_ginvmult=0.0d0
  31       time_barrier_e=0.0d0
  32       time_barrier_g=0.0d0
  33       time_enecalc=0.0d0
  34       time_sumene=0.0d0
  35       time_lagrangian=0.0d0
  36       time_sumgradient=0.0d0
  37       time_intcartderiv=0.0d0
  38       time_inttocart=0.0d0
  39       time_ginvmult=0.0d0
  40       time_fricmatmult=0.0d0
  41       time_cartgrad=0.0d0
  42       time_bcastc=0.0d0
  43       time_bcast7=0.0d0
  44       time_bcastw=0.0d0
  45       time_intfcart=0.0d0
  46       time_vec=0.0d0
  47       time_mat=0.0d0
  48       time_fric=0.0d0
  49       time_stoch=0.0d0
  50       time_fricmatmult=0.0d0
  51       time_fsample=0.0d0
  52       time_SAXS=0.0d0
  53 #endif
  54 cd    print *,' in SET_TIMERS stime=',stime
  55       return
  56       end
  57 C------------------------------------------------------------------------------
  58       logical function stopx(nf)
  59 C This function returns .true. if one of the following reasons to exit SUMSL
  60 C occurs. The "reason" code is stored in WHATSUP passed thru a COMMON block:
  61 C
  62 C... WHATSUP = 0 - go on, no reason to stop. Stopx will return .false.
  63 C...           1 - Time up in current node;
  64 C...           2 - STOP signal was received from another node because the
  65 C...               node's task was accomplished (parallel only);
  66 C...          -1 - STOP signal was received from another node because of error;
  67 C...          -2 - STOP signal was received from another node, because
  68 C...               the node's time was up.
  69       implicit none
  70       include 'DIMENSIONS'
  71       integer nf
  72       logical ovrtim
  73 #ifdef MP
  74       include 'mpif.h'
  75       include 'COMMON.INFO'
  76 #endif
  77       include 'COMMON.IOUNITS'
  78       include 'COMMON.TIME1'
  79       integer Kwita
  80
  81 cd    print *,'Processor',MyID,' NF=',nf
  82 #ifndef MPI
  83       if (ovrtim()) then
  84 C Finish if time is up.
  85          stopx = .true.
  86          WhatsUp=1
  87 #ifdef MPL
  88       else if (mod(nf,100).eq.0) then
  89 C Other processors might have finished. Check this every 100th function
  90 C evaluation.
  91 C Master checks if any other processor has sent accepted conformation(s) to it.
  92          if (MyID.ne.MasterID) call receive_mcm_info
  93          if (MyID.eq.MasterID) call receive_conf
  94 cd       print *,'Processor ',MyID,' is checking STOP: nf=',nf
  95          call recv_stop_sig(Kwita)
  96          if (Kwita.eq.-1) then
  97            write (iout,'(a,i4,a,i5)') 'Processor',
  98      &     MyID,' has received STOP signal in STOPX; NF=',nf
  99            write (*,'(a,i4,a,i5)') 'Processor',
 100      &     MyID,' has received STOP signal in STOPX; NF=',nf
 101            stopx=.true.
 102            WhatsUp=2
 103          elseif (Kwita.eq.-2) then
 104            write (iout,*)
 105      &    'Processor',MyID,' received TIMEUP-STOP signal in SUMSL.'
 106            write (*,*)
 107      &    'Processor',MyID,' received TIMEUP-STOP signal in SUMSL.'
 108            WhatsUp=-2
 109            stopx=.true.
 110          else if (Kwita.eq.-3) then
 111            write (iout,*)
 112      &    'Processor',MyID,' received ERROR-STOP signal in SUMSL.'
 113            write (*,*)
 114      &    'Processor',MyID,' received ERROR-STOP signal in SUMSL.'
 115            WhatsUp=-1
 116            stopx=.true.
 117          else
 118            stopx=.false.
 119            WhatsUp=0
 120          endif
 121 #endif
 122       else
 123          stopx = .false.
 124          WhatsUp=0
 125       endif
 126 #else
 127       stopx=.false.
 128 #endif
 129
 130 #ifdef OSF
 131 c Check for FOUND_NAN flag
 132       if (FOUND_NAN) then
 133         write(iout,*)"   ***   stopx : Found a NaN"
 134         stopx=.true.
 135       endif
 136 #endif
 137
 138       return
 139       end
 140 C--------------------------------------------------------------------------
 141       logical function ovrtim()
 142       implicit none
 143       include 'DIMENSIONS'
 144       include 'COMMON.IOUNITS'
 145       include 'COMMON.TIME1'
 146       real*8 tcpu,curtim
 147 #ifdef MPI
 148       include "mpif.h"
 149       curtim = MPI_Wtime()-walltime
 150 #else
 151       curtim= tcpu()
 152 #endif
 153 C  curtim is the current time in seconds.
 154 c      write (iout,*) "curtim",curtim," timlim",timlim," safety",safety
 155       if (curtim .ge. timlim - safety) then
 156         write (iout,'(a,f10.2,a,f10.2,a,f10.2,a)')
 157      &  "***************** Elapsed time (",curtim,
 158      &  " s) is within the safety limit (",safety,
 159      &  " s) of the allocated time (",timlim," s). Terminating."
 160         ovrtim=.true.
 161       else
 162         ovrtim=.false.
 163       endif
 164       return
 165       end
 166 **************************************************************************
 167       double precision function tcpu()
 168       implicit none
 169       include 'COMMON.TIME1'
 170       double precision seconds
 171 #ifdef ES9000
 172 ****************************
 173 C Next definition for EAGLE (ibm-es9000)
 174       real*8 micseconds
 175       integer rcode
 176       tcpu=cputime(micseconds,rcode)
 177       tcpu=(micseconds/1.0E6) - stime
 178 ****************************
 179 #endif
 180 #ifdef SUN
 181 ****************************
 182 C Next definitions for sun
 183       REAL*8  ECPU,ETIME,ETCPU
 184       dimension tarray(2)
 185       tcpu=etime(tarray)
 186       tcpu=tarray(1)
 187 ****************************
 188 #endif
 189 #ifdef KSR
 190 ****************************
 191 C Next definitions for ksr
 192 C this function uses the ksr timer ALL_SECONDS from the PMON library to
 193 C return the elapsed time in seconds
 194       tcpu= all_seconds() - stime
 195 ****************************
 196 #endif
 197 #ifdef SGI
 198 ****************************
 199 C Next definitions for sgi
 200       real timar(2), etime
 201       seconds = etime(timar)
 202 Cd    print *,'seconds=',seconds,' stime=',stime
 203 C      usrsec = timar(1)
 204 C      syssec = timar(2)
 205       tcpu=seconds - stime
 206 ****************************
 207 #endif
 208
 209 #ifdef LINUX
 210 ****************************
 211 C Next definitions for sgi
 212       real timar(2), etime
 213       seconds = etime(timar)
 214 Cd    print *,'seconds=',seconds,' stime=',stime
 215 C      usrsec = timar(1)
 216 C      syssec = timar(2)
 217       tcpu=seconds - stime
 218 ****************************
 219 #endif
 220
 221
 222 #ifdef CRAY
 223 ****************************
 224 C Next definitions for Cray
 225 C     call date(curdat)
 226 C     curdat=curdat(1:9)
 227 C     call clock(curtim)
 228 C     curtim=curtim(1:8)
 229       cpusec = second()
 230       tcpu=cpusec - stime
 231 ****************************
 232 #endif
 233 #ifdef AIX
 234 ****************************
 235 C Next definitions for RS6000
 236        integer*4 i1,mclock
 237        i1 = mclock()
 238        tcpu = (i1+0.0D0)/100.0D0
 239 #endif
 240 #ifdef WINPGI
 241 ****************************
 242 c next definitions for windows NT Digital fortran
 243        real time_real
 244        call cpu_time(time_real)
 245        tcpu = time_real
 246 #endif
 247 #ifdef WINIFL
 248 ****************************
 249 c next definitions for windows NT Digital fortran
 250        real time_real
 251        call cpu_time(time_real)
 252        tcpu = time_real
 253 #endif
 254
 255       return
 256       end
 257 C---------------------------------------------------------------------------
 258       subroutine dajczas(rntime,hrtime,mintime,sectime)
 259       implicit none
 260       include 'COMMON.IOUNITS'
 261       real*8 rntime,hrtime,mintime,sectime
 262       integer ihr,imn,isc
 263       hrtime=rntime/3600.0D0
 264       hrtime=dint(hrtime)
 265       mintime=dint((rntime-3600.0D0*hrtime)/60.0D0)
 266       sectime=dint((rntime-3600.0D0*hrtime-60.0D0*mintime)+0.5D0)
 267       if (sectime.eq.60.0D0) then
 268         sectime=0.0D0
 269         mintime=mintime+1.0D0
 270       endif
 271       ihr=hrtime
 272       imn=mintime
 273       isc=sectime
 274       write (iout,328) ihr,imn,isc
 275   328 FORMAT(//'***** Computation time: ',I4  ,' hours ',I2  ,
 276      1         ' minutes ', I2  ,' seconds *****')
 277       return
 278       end
 279 C---------------------------------------------------------------------------
 280       subroutine print_detailed_timing
 281       implicit none
 282       include 'DIMENSIONS'
 283 #ifdef MPI
 284       include 'mpif.h'
 285       double precision time1
 286 #endif
 287       include 'COMMON.IOUNITS'
 288       include 'COMMON.TIME1'
 289       include 'COMMON.SETUP'
 290 #ifdef MPI
 291       time1=MPI_WTIME()
 292          write (iout,'(80(1h=)/a/(80(1h=)))')
 293      &    "Details of FG communication time"
 294          write (*,'(7(a40,1pe15.5/),40(1h-)/a40,1pe15.5/80(1h=))')
 295      &    "BROADCAST:",time_bcast,"REDUCE:",time_reduce,
 296      &    "GATHER:",time_gather,
 297      &    "SCATTER:",time_scatter,"SENDRECV:",time_sendrecv,
 298      &    "BARRIER ene",time_barrier_e,
 299      &    "BARRIER grad",time_barrier_g,
 300      &    "TOTAL:",
 301      &    time_bcast+time_reduce+time_gather+time_scatter+time_sendrecv
 302          write (*,*) fg_rank,myrank,
 303      &     ': Total wall clock time',time1-walltime,' sec'
 304          write (*,*) "Processor",fg_rank,myrank,
 305      &     ": BROADCAST time",time_bcast," REDUCE time",
 306      &      time_reduce," GATHER time",time_gather," SCATTER time",
 307      &      time_scatter,
 308      &     " SCATTER fmatmult",time_scatter_fmatmult,
 309      &     " SCATTER ginvmult",time_scatter_ginvmult,
 310      &     " SCATTER fmat",time_scatter_fmat,
 311      &     " SCATTER ginv",time_scatter_ginv,
 312      &      " SENDRECV",time_sendrecv,
 313      &      " BARRIER ene",time_barrier_e,
 314      &      " BARRIER GRAD",time_barrier_g,
 315      &      " BCAST7",time_bcast7," BCASTC",time_bcastc,
 316      &      " BCASTW",time_bcastw," ALLREDUCE",time_allreduce,
 317      &      " TOTAL",
 318      &      time_bcast+time_reduce+time_gather+time_scatter+
 319      &      time_sendrecv+time_barrier_g+time_barrier_e+time_bcastc
 320          write (*,*) "Processor",fg_rank,myrank," enecalc",time_enecalc
 321          write (*,*) "Processor",fg_rank,myrank," sumene",time_sumene
 322          write (*,*) "Processor",fg_rank,myrank," intfromcart",
 323      &     time_intfcart
 324          write (*,*) "Processor",fg_rank,myrank," vecandderiv",
 325      &     time_vec
 326          write (*,*) "Processor",fg_rank,myrank," setmatrices",
 327      &     time_mat
 328          write (*,*) "Processor",fg_rank,myrank," ginvmult",
 329      &     time_ginvmult
 330          write (*,*) "Processor",fg_rank,myrank," fricmatmult",
 331      &     time_fricmatmult
 332          write (*,*) "Processor",fg_rank,myrank," inttocart",
 333      &     time_inttocart
 334          write (*,*) "Processor",fg_rank,myrank," sumgradient",
 335      &     time_sumgradient
 336          write (*,*) "Processor",fg_rank,myrank," intcartderiv",
 337      &     time_intcartderiv
 338          if (fg_rank.eq.0) then
 339            write (*,*) "Processor",fg_rank,myrank," lagrangian",
 340      &       time_lagrangian
 341            write (*,*) "Processor",fg_rank,myrank," cartgrad",
 342      &       time_cartgrad
 343          endif
 344          write (*,*) "Processor",fg_rank,myrank," SAXS",time_SAXS
 345 #else
 346          write (*,*) "enecalc",time_enecalc
 347          write (*,*) "sumene",time_sumene
 348          write (*,*) "intfromcart",time_intfcart
 349          write (*,*) "vecandderiv",time_vec
 350          write (*,*) "setmatrices",time_mat
 351          write (*,*) "ginvmult",time_ginvmult
 352          write (*,*) "fricmatmult",time_fricmatmult
 353          write (*,*) "inttocart",time_inttocart
 354          write (*,*) "sumgradient",time_sumgradient
 355          write (*,*) "intcartderiv",time_intcartderiv
 356          write (*,*) "lagrangian",time_lagrangian
 357          write (*,*) "cartgrad",time_cartgrad
 358          write (*,*) "SAXS",time_SAXS
 359 #endif
 360       return
 361       end