c Load the friction coefficients corresponding to side chains
m=nct-nnt
ind=0
- gamsc(ntyp1)=1.0d0
do i=nnt,nct
ind=ind+1
ii = ind+m
time00=tcpu()
#endif
call MPI_Bcast(10,1,MPI_INTEGER,king,FG_COMM,IERROR)
+#ifdef MPI
time_Bcast=time_Bcast+MPI_Wtime()-time00
+#else
+ time_Bcast=time_Bcast+tcpu()-time00
+#endif
c print *,"Processor",myrank,
c & " BROADCAST iorder in SETUP_FRICMAT"
endif
c licznik=licznik+1
c write (iout,*) "setup_fricmat licznik",licznik
+#ifdef MPI
time00=MPI_Wtime()
+#else
+ time00=tcpu()
+#endif
c Scatter the friction matrix
call MPI_Scatterv(fricmat(1,1),nginv_counts(0),
& nginv_start(0),MPI_DOUBLE_PRECISION,fcopy(1,1),
& 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=time_scatter+tcpu()-time00
time_scatter_fmat=time_scatter_fmat+tcpu()-time00
#endif
#endif
include 'COMMON.NAMES'
double precision radius(maxres2),gamvec(maxres2)
parameter (twosix=1.122462048309372981d0)
- logical lprn /.true./
+ logical lprn /.false./
c
c determine new friction coefficients every few SD steps
c