- 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)
call int_from_cart1(.false.)
call etotal(energia(0),fT)
totfree(i)=energia(0)
call int_from_cart1(.false.)
call etotal(energia(0),fT)
totfree(i)=energia(0)
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)
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)
write (iout,*) "ebe" ebe,wang
#endif
Fdimless(i)=beta_h(ib)*etot+entfac(ii)
#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
#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
- 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)
& 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)
& 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)
& MPI_DOUBLE_PRECISION,entfac(1),
& scount(0),idispl(0),MPI_DOUBLE_PRECISION,Master,
& MPI_COMM_WORLD, IERROR)
write (iout,*) "The FDIMLESS array after sorting"
do i=1,ncon
write (iout,*) i,list_conf(i),fdimless(i)
enddo
write (iout,*) "The FDIMLESS array after sorting"
do i=1,ncon
write (iout,*) i,list_conf(i),fdimless(i)
enddo