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Created binaries and fixed bugs when compiling single-processor version of the multic...
[unres.git]
/
source
/
unres
/
src_MD-M
/
stochfric.F
diff --git
a/source/unres/src_MD-M/stochfric.F
b/source/unres/src_MD-M/stochfric.F
index
99a7502
..
b239a67
100644
(file)
--- 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
enddo
x=0.0d0
+#ifdef MPI
time00=MPI_Wtime()
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)
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
force(j,i+nres)=anorm_distr(x,sig2,lowb2,highb2)
enddo
enddo
+#ifdef MPI
time_fsample=time_fsample+MPI_Wtime()-time00
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
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)
c------------------------------------------------------------------
subroutine setup_fricmat
implicit real*8 (a-h,o-z)
+#ifdef MPI
include 'mpif.h'
include 'mpif.h'
+#endif
include 'DIMENSIONS'
include 'COMMON.VAR'
include 'COMMON.CHAIN'
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
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()
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,
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
& 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
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
#endif
do i=1,dimen
do j=1,2*my_ng_count