X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FssMD.F;h=15800ae427e473b78ecf1775da3081a838d84eb9;hb=0a0b19df2e0f4d0081a0df1b16ff63950010daa5;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..15800ae 100644
--- a/source/unres/src_MD/ssMD.F
+++ b/source/unres/src_MD/ssMD.F
@@ -532,7 +532,7 @@ c     Local variables
      &     allihpb(maxdim),alljhpb(maxdim),
      &     newnss,newihpb(maxdim),newjhpb(maxdim)
       logical found
-      integer i_newnss(max_fg_procs),displ(max_fg_procs)
+      integer i_newnss(max_fg_procs),displ(0:max_fg_procs)
       integer g_newihpb(maxdim),g_newjhpb(maxdim),g_newnss
 
       allnss=0
@@ -582,6 +582,7 @@ 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,
@@ -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