X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fmain_clust.F;fp=source%2Fcluster%2Fwham%2Fsrc-M%2Fmain_clust.F;h=892a6c729a115533ffc931a656d971ecd7157760;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=15e0bd08217a07a221c5a1fc6f84ac12f1fb47b2;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git diff --git a/source/cluster/wham/src-M/main_clust.F b/source/cluster/wham/src-M/main_clust.F index 15e0bd0..892a6c7 100644 --- 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) @@ -165,8 +165,16 @@ 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