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ED_HAMILTONIAN_SPARSE_HxV.f90
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! > BUILD SPARSE HAMILTONIAN of the SECTOR
MODULE ED_HAMILTONIAN_SPARSE_HxV
USE ED_HAMILTONIAN_COMMON
USE ED_SETUP
implicit none
private
!>Sparse Matric constructors
public :: ed_buildh_main
!>Sparse Mat-Vec product using stored sparse matrix
public :: spMatVec_main
#ifdef _MPI
public :: spMatVec_MPI_main
#endif
integer :: i,iup,idw
integer :: j,jup,jdw
integer :: m,mup,mdw
integer :: ms,iud
integer :: impi
integer :: ilat,jlat,iorb,jorb,ispin,jspin,ibath,is,js
integer :: k1,k2,k3,k4
integer :: ialfa,ibeta,indx
real(8) :: sg1,sg2,sg3,sg4
complex(8) :: htmp,htmpup,htmpdw
logical :: Jcondition
contains
!####################################################################
! BUILD SPARSE HAMILTONIAN of the SECTOR
!####################################################################
subroutine ed_buildh_main(isector,Hmat)
integer :: isector
complex(8),dimension(:,:),optional :: Hmat
complex(8),dimension(:,:),allocatable :: Htmp_up,Htmp_dw,Hrdx
integer,dimension(Ns) :: ibup,ibdw
integer,dimension(Nlat,Norb) :: Nup,Ndw
real(8),dimension(Nlat,Nspin,Norb,Nbath) :: diag_hybr
real(8),dimension(Nlat,Nspin,Norb,Nbath) :: bath_diag
complex(8),dimension(Nlat,Nlat,Nspin,Nspin,Norb,Norb,Nbath) :: Hbath_reconstructed
!
nup=zero
ndw=zero
#ifdef _MPI
if(Mpistatus .AND. MpiComm == MPI_COMM_NULL)return
#endif
!
if(.not.Hstatus)stop "ed_buildh_main ERROR: Hsector NOT set"
isector=Hsector
!
if(present(Hmat))&
call assert_shape(Hmat,[getdim(isector), getdim(isector)],"ed_buildh_main","Hmat")
!
diag_hybr=0d0
bath_diag=0d0
do ibath=1,Nbath
Hbath_reconstructed(:,:,:,:,:,:,ibath)=bath_from_sym(dmft_bath%item(ibath)%lambda)
do ilat=1,Nlat
do ispin=1,Nspin
do iorb=1,Norb
diag_hybr(ilat,ispin,iorb,ibath)=dmft_bath%item(ibath)%v
bath_diag(ilat,ispin,iorb,ibath)=DREAL(Hbath_Reconstructed(ilat,ilat,ispin,ispin,iorb,iorb,ibath))
enddo
enddo
enddo
enddo
!
#ifdef _MPI
if(MpiStatus)then
call sp_set_mpi_matrix(MpiComm,spH0d,mpiIstart,mpiIend,mpiIshift)
call sp_init_matrix(MpiComm,spH0d,Dim)
if(Jhflag)then
call sp_set_mpi_matrix(MpiComm,spH0nd,mpiIstart,mpiIend,mpiIshift)
call sp_init_matrix(MpiComm,spH0nd,Dim)
endif
else
call sp_init_matrix(spH0d,Dim)
if(Jhflag)call sp_init_matrix(spH0nd,Dim)
endif
#else
call sp_init_matrix(spH0d,Dim)
if(Jhflag)call sp_init_matrix(spH0nd,Dim)
#endif
call sp_init_matrix(spH0dws(1),DimDw)
call sp_init_matrix(spH0ups(1),DimUp)
!
!-----------------------------------------------!
!LOCAL HAMILTONIAN TERMS
include "ED_HAMILTONIAN/sparse/H_local.f90"
!
!NON-LOCAL HAMILTONIAN TERMS
if(jhflag)then
include "ED_HAMILTONIAN/sparse/H_non_local.f90"
endif
!
!UP TERMS
include "ED_HAMILTONIAN/sparse/H_up.f90"
!
!DW TERMS
include "ED_HAMILTONIAN/sparse/H_dw.f90"
!-----------------------------------------------!
!
if(present(Hmat))then
Hmat = zero
allocate(Htmp_up(DimUp,DimUp));Htmp_up=zero
allocate(Htmp_dw(DimDw,DimDw));Htmp_dw=zero
!
#ifdef _MPI
if(MpiStatus)then
call sp_dump_matrix(MpiComm,spH0d,Hmat)
else
call sp_dump_matrix(spH0d,Hmat)
endif
#else
call sp_dump_matrix(spH0d,Hmat)
#endif
!
if(Jhflag)then
allocate(Hrdx(Dim,Dim));Hrdx=zero
#ifdef _MPI
if(MpiStatus)then
call sp_dump_matrix(MpiComm,spH0nd,Hrdx)
else
call sp_dump_matrix(spH0nd,Hrdx)
endif
#else
call sp_dump_matrix(spH0nd,Hrdx)
#endif
Hmat = Hmat + Hrdx
deallocate(Hrdx)
endif
!
call sp_dump_matrix(spH0ups(1),Htmp_up)
call sp_dump_matrix(spH0dws(1),Htmp_dw)
Hmat = Hmat + kronecker_product(Htmp_dw,one*eye(DimUp))
Hmat = Hmat + kronecker_product(one*eye(DimDw),Htmp_up)
!
deallocate(Htmp_up,Htmp_dw)
endif
!
return
!
end subroutine ed_buildh_main
!####################################################################
! SPARSE MAT-VEC PRODUCT USING STORED SPARSE MATRIX
!####################################################################
!+------------------------------------------------------------------+
!PURPOSE: Perform the matrix-vector product H*v used in the
! - serial
! - MPI
!+------------------------------------------------------------------+
subroutine spMatVec_main(Nloc,v,Hv)
integer :: Nloc
complex(8),dimension(Nloc) :: v
complex(8),dimension(Nloc) :: Hv
complex(8) :: val
integer :: i,iup,idw,j,jup,jdw,jj
!
!
Hv=zero
!
!Local:
do i = 1,Nloc
do j=1,spH0d%row(i)%Size
Hv(i) = Hv(i) + spH0d%row(i)%vals(j)*v(spH0d%row(i)%cols(j))
enddo
enddo
!
!DW:
do iup=1,DimUp
!
do idw=1,DimDw
i = iup + (idw-1)*DimUp
do jj=1,spH0dws(1)%row(idw)%Size
jup = iup
jdw = spH0dws(1)%row(idw)%cols(jj)
val = spH0dws(1)%row(idw)%vals(jj)
j = jup + (jdw-1)*DimUp
Hv(i) = Hv(i) + val*V(j)
enddo
enddo
!
enddo
!
!UP:
do idw=1,DimDw
!
do iup=1,DimUp
i = iup + (idw-1)*DimUp
do jj=1,spH0ups(1)%row(iup)%Size
jup = spH0ups(1)%row(iup)%cols(jj)
jdw = idw
val = spH0ups(1)%row(iup)%vals(jj)
j = jup + (jdw-1)*DimUp
Hv(i) = Hv(i) + val*V(j)
enddo
enddo
!
enddo
!
!Non-Local:
if(jhflag)then
do i = 1,Nloc
do j=1,spH0nd%row(i)%Size
val = spH0nd%row(i)%vals(j)
jj = spH0nd%row(i)%cols(j)
Hv(i) = Hv(i) + val*V(jj)
enddo
enddo
endif
!
end subroutine spMatVec_main
#ifdef _MPI
subroutine spMatVec_mpi_main(Nloc,v,Hv)
integer :: Nloc
complex(8),dimension(Nloc) :: v
complex(8),dimension(Nloc) :: Hv
!
integer :: N
complex(8),dimension(:),allocatable :: vt,Hvt
complex(8),dimension(:),allocatable :: vin
complex(8) :: val
integer :: i,iup,idw,j,jup,jdw,jj
!local MPI
integer :: irank,MpiIerr
integer,allocatable,dimension(:) :: Counts
integer,allocatable,dimension(:) :: Offset
!
! if(MpiComm==Mpi_Comm_Null)return
! if(MpiComm==MPI_UNDEFINED)stop "spMatVec_mpi_cc ERROR: MpiComm = MPI_UNDEFINED"
if(.not.MpiStatus)stop "spMatVec_mpi_cc ERROR: MpiStatus = F"
!
!Evaluate the local contribution: Hv_loc = Hloc*v
Hv=zero
do i=1,Nloc !==spH0%Nrow
do j=1,spH0d%row(i)%Size
Hv(i) = Hv(i) + spH0d%row(i)%vals(j)*v(i)
end do
end do
!
!Non-local terms.
!UP part: contiguous in memory.
do idw=1,MpiQdw
do iup=1,DimUp
i = iup + (idw-1)*DimUp
hxv_up: do jj=1,spH0ups(1)%row(iup)%Size
jup = spH0ups(1)%row(iup)%cols(jj)
jdw = idw
val = spH0ups(1)%row(iup)%vals(jj)
j = jup + (idw-1)*DimUp
Hv(i) = Hv(i) + val*v(j)
end do hxv_up
enddo
end do
!
!DW part: non-contiguous in memory -> MPI transposition
!Transpose the input vector as a whole:
mpiQup=DimUp/MpiSize
if(MpiRank<mod(DimUp,MpiSize))MpiQup=MpiQup+1
!
allocate(vt(mpiQup*DimDw)) ;vt=zero
allocate(Hvt(mpiQup*DimDw));Hvt=zero
call vector_transpose_MPI(DimUp,MpiQdw,v,DimDw,MpiQup,vt)
Hvt=0d0
do idw=1,MpiQup !<= Transposed order: column-wise DW <--> UP
do iup=1,DimDw !<= Transposed order: column-wise DW <--> UP
i = iup + (idw-1)*DimDw
hxv_dw: do jj=1,spH0dws(1)%row(iup)%Size
jup = spH0dws(1)%row(iup)%cols(jj)
jdw = idw
j = jup + (jdw-1)*DimDw
val = spH0dws(1)%row(iup)%vals(jj)
Hvt(i) = Hvt(i) + val*vt(j)
end do hxv_dw
enddo
end do
deallocate(vt) ; allocate(vt(DimUp*mpiQdw)) ; vt=zero
call vector_transpose_MPI(DimDw,mpiQup,Hvt,DimUp,mpiQdw,vt)
Hv = Hv + Vt
deallocate(vt)
!
!
!Non-Local:
if(jhflag)then
N = 0
call AllReduce_MPI(MpiComm,Nloc,N)
!
allocate(vt(N)) ; vt = zero
call allgather_vector_MPI(MpiComm,v,vt)
!
do i=1,Nloc
matmul: do j=1,spH0nd%row(i)%Size
Hv(i) = Hv(i) + spH0nd%row(i)%vals(j)*Vt(spH0nd%row(i)%cols(j))
enddo matmul
enddo
deallocate(Vt)
endif
!
end subroutine spMatVec_mpi_main
#endif
end MODULE ED_HAMILTONIAN_SPARSE_HXV