!d print '(i4,a6,100i4)',me,' ndown',(ndown(i),i=0,ndown(0))
!el common /przechowalnia/
- if(.not.allocated(d_restart1)) allocate(d_restart1(3,nres2*nodes))
- if(.not.allocated(d_restart2)) allocate(d_restart2(3,nres2*nodes))
+ if(.not.allocated(d_restart1)) allocate(d_restart1(3,(nres2+1)*nodes))
+ if(.not.allocated(d_restart2)) allocate(d_restart2(3,(nres2+1)*nodes))
if(.not.allocated(p_c)) allocate(p_c(3,(nres2+2)*nodes))
!el-------------
!el real(kind=4) :: d_restart1(3,2*nres*maxprocs),&
!el d_restart2(3,2*nres*maxprocs)
- real(kind=4) :: r_d(3,2*nres)
+ real(kind=4) :: r_d(3,0:2*nres)
real(kind=4) :: t5_restart1(5)
integer :: iret,itmp
integer(kind=2) :: i_index(Nprocs/4,Nprocs/20,Nprocs/200,Nprocs/200)
t_restart1,5,mpi_real,king,CG_COMM,ierr)
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
r_d(j,i)=d_t(j,i)
enddo
enddo
- call mpi_gather(r_d,3*2*nres,mpi_real,&
- d_restart1,3*2*nres,mpi_real,king,&
+ call mpi_gather(r_d,3*2*nres+3,mpi_real,&
+ d_restart1,3*2*nres+3,mpi_real,king,&
CG_COMM,ierr)
+ do j=1,3
+ dc(j,0)=c(j,1)
+ enddo
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
r_d(j,i)=dc(j,i)
enddo
enddo
- call mpi_gather(r_d,3*2*nres,mpi_real,&
- d_restart2,3*2*nres,mpi_real,king,&
+ call mpi_gather(r_d,3*2*nres+3,mpi_real,&
+ d_restart2,3*2*nres+3,mpi_real,king,&
CG_COMM,ierr)
if(me.eq.king) then
enddo
do il=0,nodes-1
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
- call xdrffloat_(ixdrf, d_restart1(j,i+2*nres*il), iret)
+ call xdrffloat_(ixdrf, d_restart1(j,i+(2*nres+1)*il), iret)
enddo
enddo
enddo
do il=0,nodes-1
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
- call xdrffloat_(ixdrf, d_restart2(j,i+2*nres*il), iret)
+ call xdrffloat_(ixdrf, d_restart2(j,i+(2*nres+1)*il), iret)
enddo
enddo
enddo
enddo
do il=0,nodes-1
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
- call xdrffloat(ixdrf, d_restart1(j,i+2*nres*il), iret)
+ call xdrffloat(ixdrf, d_restart1(j,i+(2*nres+1)*il), iret)
enddo
enddo
enddo
do il=0,nodes-1
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
- call xdrffloat(ixdrf, d_restart2(j,i+2*nres*il), iret)
+ call xdrffloat(ixdrf, d_restart2(j,i+(2*nres+1)*il), iret)
enddo
enddo
enddo
! include 'COMMON.SBRIDGE'
! include 'COMMON.INTERACT'
!el real(kind=4) :: d_restart1(3,2*nres*maxprocs)
- real(kind=4) :: r_d(3,2*nres),t5_restart1(5)
+ real(kind=4) :: r_d(3,0:2*nres),t5_restart1(5)
integer(kind=2) :: i_index(Nprocs/4,Nprocs/20,Nprocs/200,Nprocs/200)
!(maxprocs/4,maxprocs/20,maxprocs/200,maxprocs/200)
!el common /przechowalnia/ d_restart1
if(me.eq.king)then
do il=0,nodes-1
- do i=1,2*nres
+ do i=0,2*nres
! read(irest2,'(3e15.5)')
! & (d_restart1(j,i+2*nres*il),j=1,3)
do j=1,3
#ifdef AIX
- call xdrffloat_(ixdrf, d_restart1(j,i+2*nres*il), iret)
+ call xdrffloat_(ixdrf, d_restart1(j,i+(2*nres+1)*il), iret)
#else
- call xdrffloat(ixdrf, d_restart1(j,i+2*nres*il), iret)
+ call xdrffloat(ixdrf, d_restart1(j,i+(2*nres+1)*il), iret)
#endif
enddo
enddo
enddo
endif
- call mpi_scatter(d_restart1,3*2*nres,mpi_real,&
- r_d,3*2*nres,mpi_real,king,CG_COMM,ierr)
+ call mpi_scatter(d_restart1,3*2*nres+3,mpi_real,&
+ r_d,3*2*nres+3,mpi_real,king,CG_COMM,ierr)
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
d_t(j,i)=r_d(j,i)
enddo
enddo
if(me.eq.king)then
do il=0,nodes-1
- do i=1,2*nres
+ do i=0,2*nres
! read(irest2,'(3e15.5)')
! & (d_restart1(j,i+2*nres*il),j=1,3)
do j=1,3
#ifdef AIX
- call xdrffloat_(ixdrf, d_restart1(j,i+2*nres*il), iret)
+ call xdrffloat_(ixdrf, d_restart1(j,i+(2*nres+1)*il), iret)
#else
- call xdrffloat(ixdrf, d_restart1(j,i+2*nres*il), iret)
+ call xdrffloat(ixdrf, d_restart1(j,i+(2*nres+1)*il), iret)
#endif
enddo
enddo
enddo
endif
- call mpi_scatter(d_restart1,3*2*nres,mpi_real,&
- r_d,3*2*nres,mpi_real,king,CG_COMM,ierr)
- do i=1,2*nres
+ call mpi_scatter(d_restart1,3*2*nres+3,mpi_real,&
+ r_d,3*2*nres+3,mpi_real,king,CG_COMM,ierr)
+ do i=0,2*nres
do j=1,3
dc(j,i)=r_d(j,i)
enddo
! include 'COMMON.SBRIDGE'
! include 'COMMON.INTERACT'
!el real(kind=4) :: d_restart1(3,2*nres*maxprocs)
- real(kind=4) :: r_d(3,2*nres),t5_restart1(5)
+ real(kind=4) :: r_d(3,0:2*nres),t5_restart1(5)
!el common /przechowalnia/ d_restart1
integer :: i,j,il,ierr
if(me.eq.king)then
do il=0,nodes-1
- do i=1,2*nres
+ do i=0,2*nres
read(irest2,'(3e15.5)') &
- (d_restart1(j,i+2*nres*il),j=1,3)
+ (d_restart1(j,i+(2*nres+1)*il),j=1,3)
enddo
enddo
endif
- call mpi_scatter(d_restart1,3*2*nres,mpi_real,&
- r_d,3*2*nres,mpi_real,king,CG_COMM,ierr)
+ call mpi_scatter(d_restart1,3*2*nres+3,mpi_real,&
+ r_d,3*2*nres+3,mpi_real,king,CG_COMM,ierr)
- do i=1,2*nres
+ do i=0,2*nres
do j=1,3
d_t(j,i)=r_d(j,i)
enddo
do il=0,nodes-1
do i=1,2*nres
read(irest2,'(3e15.5)') &
- (d_restart1(j,i+2*nres*il),j=1,3)
+ (d_restart1(j,i+(2*nres+1)*il),j=1,3)
enddo
enddo
endif
- call mpi_scatter(d_restart1,3*2*nres,mpi_real,&
- r_d,3*2*nres,mpi_real,king,CG_COMM,ierr)
- do i=1,2*nres
+ call mpi_scatter(d_restart1,3*2*nres+3,mpi_real,&
+ r_d,3*2*nres+3,mpi_real,king,CG_COMM,ierr)
+ do i=0,2*nres
do j=1,3
dc(j,i)=r_d(j,i)
enddo