Merge branch 'lipid' of mmka.chem.univ.gda.pl:unres into lipid

[unres.git] / source / cluster / wham / src-M / main_clust.F

diff --git a/source/cluster/wham/src-M/main_clust.F b/source/cluster/wham/src-M/main_clust.F
index 15e0bd0..b230c01 100644 (file)
--- a/source/cluster/wham/src-M/main_clust.F
+++ b/source/cluster/wham/src-M/main_clust.F
@@ -29,12 +29,12 @@ C
       INTEGER IA(maxconf),IB(maxconf)
       INTEGER ICLASS(maxconf,maxconf-1),HVALS(maxconf-1)
       INTEGER IORDER(maxconf-1),HEIGHT(maxconf-1)
-      integer nn,ndis
-      real*4 DISNN
+      integer nn,ndis,scount_buf
+      real*4 DISNN, diss_buf(maxdist)
       DIMENSION NN(maxconf),DISNN(maxconf)
       LOGICAL FLAG(maxconf)
       integer i,j,k,l,m,n,len,lev,idum,ii,ind,ioffset,jj,icut,ncon,
-     & it,ncon_work,ind1,kkk
+     & it,ncon_work,ind1,kkk, ijk
       double precision t1,t2,tcpu,difconf
       
       double precision varia(maxvar)
@@ -63,6 +63,7 @@ C
       call openunits
       call parmread
       call read_control
+      write(iout,*) "afert readcontrol"
       call molread
 c      if (refstr) call read_ref_structure(*30)
       do i=1,nres
@@ -165,8 +166,16 @@ c          write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND)
       t1=tcpu()
       PRINT '(a)','End of distance computation'
 
+      scount_buf=scount(me)
+
+      do ijk=1, ndis
+      diss_buf(ijk)=diss(ijk)
+      enddo
+
+
 #ifdef MPI
-      call MPI_Gatherv(diss(1),scount(me),MPI_REAL,diss(1),
+      WRITE (iout,*) "Wchodze do call MPI_Gatherv"
+      call MPI_Gatherv(diss_buf(1),scount_buf,MPI_REAL,diss(1),
      &     scount(0),idispl(0),MPI_REAL,Master,MPI_COMM_WORLD, IERROR)
       if (me.eq.master) then
 #endif