X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_Eshel%2Ftiming.F;fp=source%2Funres%2Fsrc_Eshel%2Ftiming.F;h=fb6543026d17cc4570ec16f20f263849046833af;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git diff --git a/source/unres/src_Eshel/timing.F b/source/unres/src_Eshel/timing.F new file mode 100644 index 0000000..fb65430 --- /dev/null +++ b/source/unres/src_Eshel/timing.F @@ -0,0 +1,344 @@ +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' +#ifdef MPI + 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 +#else + time1=tcpu() +#endif + 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