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Fized same buffer issue in gather and gatherv in wham and cluster and a minor issue...
[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
f01f859
..
a2e4769
100644
(file)
--- a/
source/cluster/wham/src-M/main_clust.F
+++ b/
source/cluster/wham/src-M/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
double precision t1,t2,tcpu,difconf
integer i,j,k,l,m,n,len,lev,idum,ii,ind,ioffset,jj,icut,ncon,
& it,ncon_work,ind1
double precision t1,t2,tcpu,difconf
+ real diss_(maxdist)
double precision varia(maxvar)
double precision hrtime,mintime,sectime
double precision varia(maxvar)
double precision hrtime,mintime,sectime
@@
-151,7
+152,11
@@
C
if (ind.ge.indstart(me) .and. ind.le.indend(me)) then
#endif
ind1=ind1+1
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)
DISS(IND1)=DIFCONF(I,J)
+#endif
c write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND)
#ifdef MPI
endif
c write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND)
#ifdef MPI
endif
@@
-165,7
+170,7
@@
c write (iout,'(2i4,i10,f10.5)') i,j,ind,DISS(IND)
PRINT '(a)','End of distance computation'
#ifdef MPI
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
& scount(0),idispl(0),MPI_REAL,Master,MPI_COMM_WORLD, IERROR)
if (me.eq.master) then
#endif