X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FssMD.F;h=6c7d5234bcf27e9b0dec549ebe2f16e122c8ddc9;hb=dd6b6b032024dfa86d8ed7622a72194c45b97cce;hp=bf1a9b33ea477dada8140e3a08d4bcf7127052c3;hpb=29858260fdd1ede4a6a430ee7883f998abaac045;p=unres.git

diff --git a/source/unres/src_MD/ssMD.F b/source/unres/src_MD/ssMD.F
index bf1a9b3..6c7d523 100644
--- a/source/unres/src_MD/ssMD.F
+++ b/source/unres/src_MD/ssMD.F
@@ -582,13 +582,14 @@ cmc      write(iout,*)"ALLNSS ",allnss,(allihpb(i),alljhpb(i),i=1,allnss)
         endif
       enddo
 
+#ifdef MPI
       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
+C        displ(0)=0
         do i=1,nfgtasks-1,1
           displ(i)=i_newnss(i-1)+displ(i-1)
         enddo
@@ -609,6 +610,7 @@ c         print *,'g_newjhpb',(g_newjhpb(i),i=1,g_newnss)
          enddo
         endif
       endif
+#endif
 
       diff=newnss-nss
 
@@ -622,7 +624,8 @@ cmc      write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)
         enddo
 #ifndef CLUST
 #ifndef WHAM
-        if (.not.found) write(iout,'(a15,f12.2,f8.1,2i5)')
+        if (.not.found.and.fg_rank.eq.0) 
+     &      write(iout,'(a15,f12.2,f8.1,2i5)')
      &       "SSBOND_BREAK",totT,t_bath,idssb(i),jdssb(i)
 #endif
 #endif
@@ -636,7 +639,8 @@ cmc      write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)
         enddo
 #ifndef CLUST
 #ifndef WHAM
-        if (.not.found) write(iout,'(a15,f12.2,f8.1,2i5)')
+        if (.not.found.and.fg_rank.eq.0) 
+     &      write(iout,'(a15,f12.2,f8.1,2i5)')
      &       "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i)
 #endif
 #endif
@@ -651,41 +655,6 @@ cmc      write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)
       return
       end
 
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
-      subroutine read_ssHist
-      implicit none
-
-c     Includes
-      include 'DIMENSIONS'
-      include "DIMENSIONS.FREE"
-      include 'COMMON.FREE'
-
-c     Local variables
-      integer i,j
-      character*80 controlcard
-
-      do i=1,dyn_nssHist
-        call card_concat(controlcard,.true.)
-        read(controlcard,*)
-     &       dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
-      enddo
-
-      return
-      end
-#endif
-
-c----------------------------------------------------------------------------
-
-
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
 
 c$$$c-----------------------------------------------------------------------------
 c$$$