X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fmain_clust.F;h=b4bfe0a0a4b4e2e7fda90a2cc13bf4484e3f057f;hb=95abe93df3a12f9cf8d94b2ed69c14cc4b3363e0;hp=4b6478a8efb0d5af07ba120d8a7ca657e4ce60b9;hpb=62a2778d80b51198f1240d5deccabcb44466dc08;p=unres.git diff --git a/source/cluster/wham/src/main_clust.F b/source/cluster/wham/src/main_clust.F index 4b6478a..b4bfe0a 100644 --- a/source/cluster/wham/src/main_clust.F +++ b/source/cluster/wham/src/main_clust.F @@ -36,6 +36,7 @@ C integer i,j,k,l,m,n,len,lev,idum,ii,ind,ioffset,jj,icut,ncon, & it,ncon_work,ind1,ilen double precision t1,t2,tcpu,difconf + real diss_(maxdist) double precision varia(maxvar) double precision hrtime,mintime,sectime @@ -146,7 +147,11 @@ C if (ind.ge.indstart(me) .and. ind.le.indend(me)) then #endif ind1=ind1+1 +#ifdef MPI + DISS_(IND1)=DIFCONF(I,J) +#else DISS(IND1)=DIFCONF(I,J) +#endif c write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND) #ifdef MPI endif @@ -160,7 +165,7 @@ c write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND) PRINT '(a)','End of distance computation' #ifdef MPI - call MPI_Gatherv(diss(1),scount(me),MPI_REAL,diss(1), + call MPI_Gatherv(diss_(1),scount(me),MPI_REAL,diss(1), & scount(0),idispl(0),MPI_REAL,Master,MPI_COMM_WORLD, IERROR) if (me.eq.master) then #endif