C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 3 1 92
+C 3 1 98
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 3.1 build 92'
- write(iout,*)'compiled Mon Feb 18 04:11:12 2013'
+ write(iout,*)'Version 3.1 build 98'
+ write(iout,*)'compiled Mon Feb 18 13:44:21 2013'
write(iout,*)'compiled by czarek@piasek3'
write(iout,*)'OS name: Linux '
write(iout,*)'OS release: 2.6.32-42-generic '
cmc
cmc Sep-06: egb takes care of dynamic ss bonds too
cmc
- if (dyn_ss) call dyn_set_nss
+c if (dyn_ss) call dyn_set_nss
c print *,"Processor",myrank," computed USCSC"
#ifdef TIMING
energia(23)=evdw_m
c print *," Processor",myrank," calls SUM_ENERGY"
call sum_energy(energia,.true.)
+ if (dyn_ss) call dyn_set_nss
c print *," Processor",myrank," left SUM_ENERGY"
#ifdef TIMING
#ifdef MPI
c Includes
include 'DIMENSIONS'
+#ifdef MPI
+ include "mpif.h"
+#endif
include 'COMMON.SBRIDGE'
include 'COMMON.CHAIN'
include 'COMMON.IOUNITS'
+ include 'COMMON.SETUP'
#ifndef CLUST
#ifndef WHAM
include 'COMMON.MD'
& allihpb(maxdim),alljhpb(maxdim),
& newnss,newihpb(maxdim),newjhpb(maxdim)
logical found
-
+ integer i_newnss(max_fg_procs),displ(max_fg_procs)
+ integer g_newihpb(maxdim),g_newjhpb(maxdim),g_newnss
allnss=0
do i=1,nres-1
newjhpb(newnss)=alljhpb(i)
endif
enddo
+
+ if (nfgtasks.gt.1)then
+
+ call MPI_Reduce(newnss,g_newnss,1,
+ & MPI_INTEGER,MPI_SUM,king,FG_COMM,IERR)
+ call MPI_Gather(newnss,1,MPI_INTEGER,
+ & i_newnss,1,MPI_INTEGER,king,FG_COMM,IERR)
+ displ(0)=0
+ do i=1,nfgtasks-1,1
+ displ(i)=i_newnss(i-1)+displ(i-1)
+ enddo
+ call MPI_Gatherv(newihpb,newnss,MPI_INTEGER,
+ & g_newihpb,i_newnss,displ,MPI_INTEGER,
+ & king,FG_COMM,IERR)
+ call MPI_Gatherv(newjhpb,newnss,MPI_INTEGER,
+ & g_newjhpb,i_newnss,displ,MPI_INTEGER,
+ & king,FG_COMM,IERR)
+ if(fg_rank.eq.0) then
+c print *,'g_newnss',g_newnss
+c print *,'g_newihpb',(g_newihpb(i),i=1,g_newnss)
+c print *,'g_newjhpb',(g_newjhpb(i),i=1,g_newnss)
+ newnss=g_newnss
+ do i=1,newnss
+ newihpb(i)=g_newihpb(i)
+ newjhpb(i)=g_newjhpb(i)
+ enddo
+ endif
+ endif
+
diff=newnss-nss
cmc write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)