src_CSA_DiL removed from prerelease, current version in devel
[unres.git] / source / unres / src_CSA_DiL / timing.F
diff --git a/source/unres/src_CSA_DiL/timing.F b/source/unres/src_CSA_DiL/timing.F
deleted file mode 100644 (file)
index 340ff3d..0000000
+++ /dev/null
@@ -1,340 +0,0 @@
-C $Date: 1994/10/05 16:41:52 $
-C $Revision: 2.2 $
-C
-C
-C
-      subroutine set_timers
-c
-      implicit none
-      double precision tcpu
-      include 'COMMON.TIME1'
-#ifdef MP
-      include 'mpif.h'
-#endif
-C Diminish the assigned time limit a little so that there is some time to
-C end a batch job
-c     timlim=batime-150.0
-C Calculate the initial time, if it is not zero (e.g. for the SUN).
-      stime=tcpu()
-#ifdef MPI
-      walltime=MPI_WTIME()
-      time_reduce=0.0d0
-      time_allreduce=0.0d0
-      time_bcast=0.0d0
-      time_gather=0.0d0
-      time_sendrecv=0.0d0
-      time_scatter=0.0d0
-      time_scatter_fmat=0.0d0
-      time_scatter_ginv=0.0d0
-      time_scatter_fmatmult=0.0d0
-      time_scatter_ginvmult=0.0d0
-      time_barrier_e=0.0d0
-      time_barrier_g=0.0d0
-      time_enecalc=0.0d0
-      time_sumene=0.0d0
-      time_lagrangian=0.0d0
-      time_sumgradient=0.0d0
-      time_intcartderiv=0.0d0
-      time_inttocart=0.0d0
-      time_ginvmult=0.0d0
-      time_fricmatmult=0.0d0
-      time_cartgrad=0.0d0
-      time_bcastc=0.0d0
-      time_bcast7=0.0d0
-      time_bcastw=0.0d0
-      time_intfcart=0.0d0
-      time_vec=0.0d0
-      time_mat=0.0d0
-      time_fric=0.0d0
-      time_stoch=0.0d0
-      time_fricmatmult=0.0d0
-      time_fsample=0.0d0
-#endif
-cd    print *,' in SET_TIMERS stime=',stime
-      return 
-      end
-C------------------------------------------------------------------------------
-      logical function stopx(nf)
-C This function returns .true. if one of the following reasons to exit SUMSL
-C occurs. The "reason" code is stored in WHATSUP passed thru a COMMON block:
-C
-C... WHATSUP = 0 - go on, no reason to stop. Stopx will return .false.
-C...           1 - Time up in current node;
-C...           2 - STOP signal was received from another node because the
-C...               node's task was accomplished (parallel only);
-C...          -1 - STOP signal was received from another node because of error;
-C...          -2 - STOP signal was received from another node, because 
-C...               the node's time was up.
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      integer nf
-      logical ovrtim
-#ifdef MP
-      include 'mpif.h'
-      include 'COMMON.INFO'
-#endif
-      include 'COMMON.IOUNITS'
-      include 'COMMON.TIME1'
-      integer Kwita
-
-cd    print *,'Processor',MyID,' NF=',nf
-#ifndef MPI
-      if (ovrtim()) then
-C Finish if time is up.
-         stopx = .true.
-         WhatsUp=1
-#ifdef MPL
-      else if (mod(nf,100).eq.0) then
-C Other processors might have finished. Check this every 100th function 
-C evaluation.
-C Master checks if any other processor has sent accepted conformation(s) to it. 
-         if (MyID.ne.MasterID) call receive_mcm_info
-         if (MyID.eq.MasterID) call receive_conf
-cd       print *,'Processor ',MyID,' is checking STOP: nf=',nf
-         call recv_stop_sig(Kwita)
-         if (Kwita.eq.-1) then
-           write (iout,'(a,i4,a,i5)') 'Processor',
-     &     MyID,' has received STOP signal in STOPX; NF=',nf
-           write (*,'(a,i4,a,i5)') 'Processor',
-     &     MyID,' has received STOP signal in STOPX; NF=',nf
-           stopx=.true.
-           WhatsUp=2
-         elseif (Kwita.eq.-2) then
-           write (iout,*)
-     &    'Processor',MyID,' received TIMEUP-STOP signal in SUMSL.'
-           write (*,*)
-     &    'Processor',MyID,' received TIMEUP-STOP signal in SUMSL.'
-           WhatsUp=-2
-           stopx=.true.  
-         else if (Kwita.eq.-3) then
-           write (iout,*)
-     &    'Processor',MyID,' received ERROR-STOP signal in SUMSL.'
-           write (*,*)
-     &    'Processor',MyID,' received ERROR-STOP signal in SUMSL.'
-           WhatsUp=-1
-           stopx=.true.
-         else
-           stopx=.false.
-           WhatsUp=0
-         endif
-#endif
-      else
-         stopx = .false.
-         WhatsUp=0
-      endif
-#else
-      stopx=.false.
-#endif
-
-#ifdef OSF
-c Check for FOUND_NAN flag
-      if (FOUND_NAN) then
-        write(iout,*)"   ***   stopx : Found a NaN"
-        stopx=.true.
-      endif
-#endif
-
-      return
-      end
-C--------------------------------------------------------------------------
-      logical function ovrtim() 
-      include 'DIMENSIONS'
-      include 'COMMON.IOUNITS'
-      include 'COMMON.TIME1'
-      include 'COMMON.SETUP'
-      include 'COMMON.CONTROL'
-      real*8 tcpu
-#ifdef MPI
-      include "mpif.h"
-      curtim = MPI_Wtime()-walltime
-#else
-      curtim= tcpu()
-#endif
-C  curtim is the current time in seconds.
-c      write (iout,*) "curtim",curtim," timlim",timlim," safety",safety
-      if (curtim .ge. timlim - safety) then
-       if (me.eq.king .or. .not. out1file)
-     &   write (iout,'(a,f10.2,a,f10.2,a,f10.2,a)') 
-     &  "***************** Elapsed time (",curtim,
-     &  " s) is within the safety limit (",safety,
-     &  " s) of the allocated time (",timlim," s). Terminating."
-        ovrtim=.true.
-      else
-        ovrtim=.false.
-      endif
-      return                                               
-      end
-**************************************************************************      
-      double precision function tcpu()
-      include 'COMMON.TIME1'
-#ifdef ES9000 
-****************************
-C Next definition for EAGLE (ibm-es9000)
-      real*8 micseconds
-      integer rcode
-      tcpu=cputime(micseconds,rcode)
-      tcpu=(micseconds/1.0E6) - stime
-****************************
-#endif
-#ifdef SUN
-****************************
-C Next definitions for sun
-      REAL*8  ECPU,ETIME,ETCPU
-      dimension tarray(2)
-      tcpu=etime(tarray)
-      tcpu=tarray(1)
-****************************
-#endif
-#ifdef KSR
-****************************
-C Next definitions for ksr
-C this function uses the ksr timer ALL_SECONDS from the PMON library to
-C return the elapsed time in seconds
-      tcpu= all_seconds() - stime
-****************************
-#endif
-#ifdef SGI
-****************************
-C Next definitions for sgi
-      real timar(2), etime
-      seconds = etime(timar)
-Cd    print *,'seconds=',seconds,' stime=',stime
-C      usrsec = timar(1)
-C      syssec = timar(2)
-      tcpu=seconds - stime
-****************************
-#endif
-
-#ifdef LINUX
-****************************
-C Next definitions for sgi
-      real timar(2), etime
-      seconds = etime(timar)
-Cd    print *,'seconds=',seconds,' stime=',stime
-C      usrsec = timar(1)
-C      syssec = timar(2)
-      tcpu=seconds - stime
-****************************
-#endif
-
-
-#ifdef CRAY
-****************************
-C Next definitions for Cray
-C     call date(curdat)
-C     curdat=curdat(1:9)
-C     call clock(curtim)
-C     curtim=curtim(1:8)
-      cpusec = second()
-      tcpu=cpusec - stime
-****************************
-#endif
-#ifdef AIX
-****************************
-C Next definitions for RS6000
-       integer*4 i1,mclock
-       i1 = mclock()
-       tcpu = (i1+0.0D0)/100.0D0
-#endif
-#ifdef WINPGI
-****************************
-c next definitions for windows NT Digital fortran
-       real time_real
-       call cpu_time(time_real)
-       tcpu = time_real
-#endif
-#ifdef WINIFL
-****************************
-c next definitions for windows NT Digital fortran
-       real time_real
-       call cpu_time(time_real)
-       tcpu = time_real
-#endif
-
-      return     
-      end  
-C---------------------------------------------------------------------------
-      subroutine dajczas(rntime,hrtime,mintime,sectime)
-      include 'COMMON.IOUNITS'
-      real*8 rntime,hrtime,mintime,sectime 
-      hrtime=rntime/3600.0D0 
-      hrtime=aint(hrtime)
-      mintime=aint((rntime-3600.0D0*hrtime)/60.0D0)
-      sectime=aint((rntime-3600.0D0*hrtime-60.0D0*mintime)+0.5D0)
-      if (sectime.eq.60.0D0) then
-        sectime=0.0D0
-        mintime=mintime+1.0D0
-      endif
-      ihr=hrtime
-      imn=mintime
-      isc=sectime
-      write (iout,328) ihr,imn,isc
-  328 FORMAT(//'***** Computation time: ',I4  ,' hours ',I2  ,
-     1         ' minutes ', I2  ,' seconds *****')       
-      return
-      end
-C---------------------------------------------------------------------------
-      subroutine print_detailed_timing
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-#ifdef MPI
-      include 'mpif.h'
-#endif
-      include 'COMMON.IOUNITS'
-      include 'COMMON.TIME1'
-      include 'COMMON.SETUP'
-c      time1=MPI_WTIME()
-         write (iout,'(80(1h=)/a/(80(1h=)))') 
-     &    "Details of FG communication time"
-         write (*,'(7(a40,1pe15.5/),40(1h-)/a40,1pe15.5/80(1h=))') 
-     &    "BROADCAST:",time_bcast,"REDUCE:",time_reduce,
-     &    "GATHER:",time_gather,
-     &    "SCATTER:",time_scatter,"SENDRECV:",time_sendrecv,
-     &    "BARRIER ene",time_barrier_e,
-     &    "BARRIER grad",time_barrier_g,
-     &    "TOTAL:",
-     &    time_bcast+time_reduce+time_gather+time_scatter+time_sendrecv
-         write (*,*) fg_rank,myrank,
-     &     ': Total wall clock time',time1-walltime,' sec'
-         write (*,*) "Processor",fg_rank,myrank,
-     &     ": BROADCAST time",time_bcast," REDUCE time",
-     &      time_reduce," GATHER time",time_gather," SCATTER time",
-     &      time_scatter,
-     &     " SCATTER fmatmult",time_scatter_fmatmult,
-     &     " SCATTER ginvmult",time_scatter_ginvmult,
-     &     " SCATTER fmat",time_scatter_fmat,
-     &     " SCATTER ginv",time_scatter_ginv,
-     &      " SENDRECV",time_sendrecv,
-     &      " BARRIER ene",time_barrier_e,
-     &      " BARRIER GRAD",time_barrier_g,
-     &      " BCAST7",time_bcast7," BCASTC",time_bcastc,
-     &      " BCASTW",time_bcastw," ALLREDUCE",time_allreduce,
-     &      " TOTAL",
-     &      time_bcast+time_reduce+time_gather+time_scatter+
-     &      time_sendrecv+time_barrier+time_bcastc
-         write (*,*) "Processor",fg_rank,myrank," enecalc",time_enecalc
-         write (*,*) "Processor",fg_rank,myrank," sumene",time_sumene
-         write (*,*) "Processor",fg_rank,myrank," intfromcart",
-     &     time_intfcart
-         write (*,*) "Processor",fg_rank,myrank," vecandderiv",
-     &     time_vec
-         write (*,*) "Processor",fg_rank,myrank," setmatrices",
-     &     time_mat
-         write (*,*) "Processor",fg_rank,myrank," ginvmult",
-     &     time_ginvmult
-         write (*,*) "Processor",fg_rank,myrank," fricmatmult",
-     &     time_fricmatmult
-         write (*,*) "Processor",fg_rank,myrank," inttocart",
-     &     time_inttocart
-         write (*,*) "Processor",fg_rank,myrank," sumgradient",
-     &     time_sumgradient
-         write (*,*) "Processor",fg_rank,myrank," intcartderiv",
-     &     time_intcartderiv
-         if (fg_rank.eq.0) then
-           write (*,*) "Processor",fg_rank,myrank," lagrangian",
-     &       time_lagrangian
-           write (*,*) "Processor",fg_rank,myrank," cartgrad",
-     &       time_cartgrad
-         endif
-      return
-      end