character*80 bxname
character*2 licz1
character*5 ctemper
- integer ilen
+ integer ilen,ijk
external ilen
- real*4 Fdimless(maxconf)
- double precision energia(0:max_ene)
+ real*4 Fdimless(maxconf), Fdimless_buf(maxconf)
+ double precision energia(0:max_ene), totfree_buf(0:maxconf),
+ & entfac_buf(maxconf)
do i=1,ncon
list_conf(i)=i
enddo
call int_from_cart1(.false.)
call etotal(energia(0),fT)
totfree(i)=energia(0)
+ totfree_buf(i)=totfree(i)
c write (iout,'(8f10.5)') ((c(l,k),l=1,3),k=1,nres)
c write (iout,'(8f10.5)') ((c(l,k+nres),l=1,3),k=nnt,nct)
c call enerprint(energia(0),fT)
write (iout,*) "ebe" ebe,wang
#endif
Fdimless(i)=beta_h(ib)*etot+entfac(ii)
+ Fdimless_buf(i)=Fdimless(i)
totfree(i)=etot
+ totfree_buf(i)=totfree(i)
#ifdef DEBUG
write (iout,*) "fdim calc", i,ii,ib,
& 1.0d0/(1.987d-3*beta_h(ib)),totfree(i),
& entfac(ii),Fdimless(i)
#endif
enddo ! i
+
+ do ijk=1,maxconf
+ entfac_buf(ijk)=entfac(ijk)
+ Fdimless_buf(ijk)=Fdimless(ijk)
+ enddo
+ do ijk=0,maxconf
+ totfree_buf(ijk)=totfree(ijk)
+ enddo
+
+
+c scount_buf=scount(me)
+c scount_buf2=scount(0)
+
+c entfac_buf(indstart(me)+1)=entfac(indstart(me)+1)
+
#ifdef MPI
- call MPI_Gatherv(Fdimless(1),scount(me),
+ WRITE (iout,*) "Wchodze do call MPI_Gatherv1 (Propabl)"
+ call MPI_Gatherv(Fdimless_buf(1),scount(me),
& MPI_REAL,Fdimless(1),
& scount(0),idispl(0),MPI_REAL,Master,
& MPI_COMM_WORLD, IERROR)
- call MPI_Gatherv(totfree(1),scount(me),
+ WRITE (iout,*) "Wchodze do call MPI_Gatherv2 (Propabl)"
+ call MPI_Gatherv(totfree_buf(1),scount(me),
& MPI_DOUBLE_PRECISION,totfree(1),
& scount(0),idispl(0),MPI_DOUBLE_PRECISION,Master,
& MPI_COMM_WORLD, IERROR)
- call MPI_Gatherv(entfac(indstart(me)+1),scount(me),
+ WRITE (iout,*) "Wchodze do call MPI_Gatherv3 (Propabl)"
+ call MPI_Gatherv(entfac_buf(indstart(me)+1),scount(me),
& MPI_DOUBLE_PRECISION,entfac(1),
& scount(0),idispl(0),MPI_DOUBLE_PRECISION,Master,
& MPI_COMM_WORLD, IERROR)
+ WRITE (iout,*) "Wychodze z call MPI_Gatherv (Propabl)"
if (me.eq.Master) then
+ WRITE (iout,*) "me.eq.Master"
#endif
#ifdef DEBUG
write (iout,*) "The FDIMLESS array before sorting"
c write (iout,*) i,fdimless(i)
enddo
#endif
+ WRITE (iout,*) "Wchodze do call mysort1"
call mysort1(ncon,Fdimless,list_conf)
-#ifdef DEBUG
+ WRITE (iout,*) "Wychodze z call mysort1"
+C#ifdef DEBUG
write (iout,*) "The FDIMLESS array after sorting"
do i=1,ncon
write (iout,*) i,list_conf(i),fdimless(i)
enddo
-#endif
+c#endif
+ WRITE (iout,*) "Wchodze do petli i=1,ncon totfree(i)=fdimless(i)"
do i=1,ncon
totfree(i)=fdimless(i)
enddo