X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fstochfric.F;fp=source%2Funres%2Fsrc_MD-M%2Fstochfric.F;h=b239a677176caed73dba3afc85a9028014b64bf3;hp=99a7502bc285e3385e910d55e544656f62e37f6e;hb=af72f8e89a5d33f0d86ba898d6c5bbbda4b25b84;hpb=f9e536df1fd1627429123fe8990edfcdc2cc1a9a diff --git a/source/unres/src_MD-M/stochfric.F b/source/unres/src_MD-M/stochfric.F index 99a7502..b239a67 100644 --- a/source/unres/src_MD-M/stochfric.F +++ b/source/unres/src_MD-M/stochfric.F @@ -185,7 +185,11 @@ c----------------------------------------------------- enddo x=0.0d0 +#ifdef MPI time00=MPI_Wtime() +#else + time00=tcpu() +#endif c Compute the stochastic forces acting on bodies. Store in force. do i=nnt,nct-1 sig=stdforcp(i) @@ -203,7 +207,11 @@ c Compute the stochastic forces acting on bodies. Store in force. force(j,i+nres)=anorm_distr(x,sig2,lowb2,highb2) enddo enddo +#ifdef MPI time_fsample=time_fsample+MPI_Wtime()-time00 +#else + time_fsample=time_fsample+tcpu()-time00 +#endif c Compute the stochastic forces acting on virtual-bond vectors. do j=1,3 ff(j)=0.0d0 @@ -309,7 +317,9 @@ c Compute the stochastic forces acting on virtual-bond vectors. c------------------------------------------------------------------ subroutine setup_fricmat implicit real*8 (a-h,o-z) +#ifdef MPI include 'mpif.h' +#endif include 'DIMENSIONS' include 'COMMON.VAR' include 'COMMON.CHAIN' @@ -478,7 +488,11 @@ c enddo if (nfgtasks.gt.1) then if (fg_rank.eq.0) then c The matching BROADCAST for fg processors is called in ERGASTULUM +#ifdef MPI time00=MPI_Wtime() +#else + time00=tcpu() +#endif call MPI_Bcast(10,1,MPI_INTEGER,king,FG_COMM,IERROR) time_Bcast=time_Bcast+MPI_Wtime()-time00 c print *,"Processor",myrank, @@ -493,7 +507,11 @@ c Scatter the friction matrix & myginv_ng_count,MPI_DOUBLE_PRECISION,king,FG_COMM,IERROR) time_scatter=time_scatter+MPI_Wtime()-time00 #ifdef TIMING +#ifdef MPI time_scatter_fmat=time_scatter_fmat+MPI_Wtime()-time00 +#else + time_scatter_fmat=time_scatter_fmat+tcpu()-time00 +#endif #endif do i=1,dimen do j=1,2*my_ng_count