X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Ftiming.F;fp=source%2Funres%2Fsrc_CSA_DiL%2Ftiming.F;h=0000000000000000000000000000000000000000;hp=340ff3da0b91788a7d738a5414e0cdb1d5294ed5;hb=de4bc5453ea46e111d936cb85e1758ed21c08fcd;hpb=b75425747e3e2b448ca5e0ef8367712e1f339124 diff --git a/source/unres/src_CSA_DiL/timing.F b/source/unres/src_CSA_DiL/timing.F deleted file mode 100644 index 340ff3d..0000000 --- a/source/unres/src_CSA_DiL/timing.F +++ /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