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workspace.f03
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workspace.f03
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module workspace
use params
use parallel
!Dynamic number of computational grids
type computational_field
complex(C_DOUBLE_COMPLEX), pointer :: GRID(:, :, :)
integer :: field_number
end type
type, extends(computational_field) :: fluid_field
complex(C_DOUBLE_COMPLEX), pointer :: QP_E(:, :, :, :)!Quasi-periodic variables
complex(C_DOUBLE_COMPLEX), pointer :: DDI_K(:, :, :)!Dipole-dipole interaction variables
end type
type workspace_t
type(fluid_field), pointer :: FLUID(:)
end type
type cart_shift_t
integer :: rs, rd
end type
type(workspace_t) :: WS
type(workspace_t), pointer :: TMPWS(:)
!System-wide globals
type(cart_shift_t), pointer :: cart_shift(:)
real(C_DOUBLE), dimension(:, :, :), allocatable :: POT
real(C_DOUBLE), dimension(:), allocatable :: GX, GY, GZ, KX, KY, KZ
integer :: sx, sy, sz, ex, ey, ez, cur_step, RT
integer :: ksx, ksy, ksz, kex, key, kez
double precision :: TIME, DKSPACE, EDD_T1, EDD_T2
contains
subroutine init_workspace
implicit none
integer :: f
if (RHSType == 0 .or. RHSType == 1) then
call calc_local_idx_3DWithGhost(NX, NY, NZ, NGHOST, sx, ex, sy, ey, sz, ez)
call setupCartGrid
if (RANK .eq. 0) then
write (6, '(a)') "Allocating distributed workspace data"
end if
ALLOCATE (TMPWS(3))
ALLOCATE (WS%FLUID(FLUIDS))
ALLOCATE (TMPWS(1)%FLUID(FLUIDS))
ALLOCATE (TMPWS(2)%FLUID(FLUIDS))
ALLOCATE (TMPWS(3)%FLUID(FLUIDS))
do f = 1, FLUIDS
if (RANK .eq. 0 .and. RHSType .eq. 1) write (6, '(a,i3,a,f6.3,a,f6.3,a,f6.3)') "FIELD ", f, &
" - MASS is: ", MASS(f)
if (RANK .eq. 0 .and. ANY(OMEGAALL .ne. 0.0d0)) then
write (6, '(a,i3,a,f6.3,a,f6.3,a,f6.3)') "FIELD ", f, &
" - OMEGAX is: ", OMEGAALL(1, f), ", OMEGAY is: ", OMEGAALL(2, f), ", OMEGAZ is: ", OMEGAALL(3, f)
end if
call allocateCompGrid(WS%FLUID(f))
call allocateCompGrid(TMPWS(1)%FLUID(f))
call allocateCompGrid(TMPWS(2)%FLUID(f))
call allocateCompGrid(TMPWS(3)%FLUID(f))
WS%FLUID(f)%field_number = f
TMPWS(1)%FLUID(f)%field_number = f
TMPWS(2)%FLUID(f)%field_number = f
TMPWS(3)%FLUID(f)%field_number = f
end do
else if (RHSType == 2) then
if (RANK .eq. 0) then
write (6, '(a)') "Allocating distributed FFTW workspace data"
end if
ALLOCATE (TMPWS(1))
ALLOCATE (WS%FLUID(1))
ALLOCATE (TMPWS(1)%FLUID(1))
call setup_local_allocation_fftw(NX, NY, NZ, WS%FLUID(1)%GRID, TMPWS(1)%FLUID(1)%GRID)
call parallel_barrier
sx = 1
ex = NX
sy = 1
ey = NY
sz = 1
ez = local_NZ
else if (RHSType == 3) then
call calc_local_idx_3DWithGhost(NX, NY, NZ, NGHOST, sx, ex, sy, ey, sz, ez)
call setupCartGrid
if (RANK .eq. 0) then
write (6, '(a)') "Allocating distributed fluid field data"
end if
ALLOCATE (TMPWS(4))
ALLOCATE (WS%FLUID(FLUIDS))
ALLOCATE (TMPWS(1)%FLUID(FLUIDS))
ALLOCATE (TMPWS(2)%FLUID(FLUIDS))
ALLOCATE (TMPWS(3)%FLUID(FLUIDS))
ALLOCATE (TMPWS(4)%FLUID(1))
do f = 1, FLUIDS
call allocateCompGrid(WS%FLUID(f))
call allocateCompGrid(TMPWS(1)%FLUID(f))
call allocateCompGrid(TMPWS(2)%FLUID(f))
call allocateCompGrid(TMPWS(3)%FLUID(f))
WS%FLUID(f)%field_number = f
TMPWS(1)%FLUID(f)%field_number = f
TMPWS(2)%FLUID(f)%field_number = f
TMPWS(3)%FLUID(f)%field_number = f
end do
call allocateCompGrid(TMPWS(4)%FLUID(1)) !tmp variable for quasi-periodic calcs - shared over fluids
end if
if (RANK .eq. 0) then
write (6, '(a)') "Calculating distributed position and momentum space coordinates"
end if
ALLOCATE (POT(sx:ex, sy:ey, sz:ez))
ALLOCATE (GX(sx:ex))
ALLOCATE (GY(sy:ey))
ALLOCATE (GZ(sz:ez))
ALLOCATE (KX(sx:ex))
ALLOCATE (KY(sy:ey))
ALLOCATE (KZ(sz:ez))
call setupGXYZ
call setupKXYZ
call parallel_barrier
if (RHSType == 2) then
if (RANK .eq. 0) then
write (6, '(a)') "Pre-calculating dipole-dipole k-space potential"
write (6, '(a,f6.3)') "EDD is: ", EDD
end if
EDD_T1 = 1.0d0/(1.0d0 - EDD)
EDD_T2 = EDD/(1.0d0 - EDD)
ALLOCATE (WS%FLUID(1)%DDI_K(sx:ex, sy:ey, sz:ez))
call setupDDIK(WS%FLUID(1))
end if
if (RHSType == 3) then
if (RANK .eq. 0) then
write (6, '(a)') "Pre-calculating parts of the quasi-periodic field equations"
end if
do f = 1, FLUIDS
if (RANK .eq. 0) then
write (6, '(a,i3,a,f6.3,a,f6.3,a,f6.3)') "FIELD ", f, &
" - NVORTX is: ", NVORTALL(1, f), ", NVORTY is: ", NVORTALL(2, f), ", NVORTZ is: ", NVORTALL(3, f)
end if
ALLOCATE (WS%FLUID(f)%QP_E(sx:ex, sy:ey, sz:ez, 3))
call setupEXEYEZ(WS%FLUID(f))
end do
end if
call parallel_barrier
end subroutine
subroutine allocateCompGrid(field)
implicit none
class(computational_field) :: field
ALLOCATE (field%GRID(sx:ex, sy:ey, sz:ez))
end subroutine
subroutine setupDDIK(field)
implicit none
integer :: i, j, k
type(fluid_field) :: field
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
!NOTE: This term is calculated in transposed k-space, so KY is really KZ.
!NB: http://fftw.org/doc/Transposed-distributions.html#Transposed-distributions
field%DDI_K(i, j, k) = 3.0d0*(KY(j)**2.0d0)/(KX(i)**2.0d0 + KY(j)**2.0d0 + KZ(k)**2.0d0 + 1e-20) - 1.0d0
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine setupCartGrid
implicit none
include 'mpif.h'
if (RANK .eq. 0) then
write (6, '(a)') "Pre-calculating MPI neighbours"
end if
ALLOCATE (cart_shift(0:2))
call MPI_Cart_shift(MPI_COMM_GRID, 0, 1, cart_shift(0)%rs, cart_shift(0)%rd, IERR)
call MPI_Cart_shift(MPI_COMM_GRID, 1, 1, cart_shift(1)%rs, cart_shift(1)%rd, IERR)
call MPI_Cart_shift(MPI_COMM_GRID, 2, 1, cart_shift(2)%rs, cart_shift(2)%rd, IERR)
if (IERR .ne. MPI_SUCCESS) then
write (6, *) "Error running MPI_Cart_shift. Error code: ", IERR
write (6, *) "Something has gone wrong... Quitting."
CALL EXIT(1)
end if
end subroutine
subroutine setupEXEYEZ(field)
implicit none
integer :: i, j, k
type(fluid_field) :: field
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
field%QP_E(i, j, k, 1) = PI*NVORTALL(2, field%field_number)*GX(i)*GZ(k)/((NX - 1)*DSPACE*(NZ - 1)*DSPACE) &
- PI*NVORTALL(3, field%field_number)*GX(i)*GY(j)/((NX - 1)*DSPACE*(NY - 1)*DSPACE)
end do
end do
end do
!$OMP end parallel do
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
field%QP_E(i, j, k, 2) = -PI*NVORTALL(1, field%field_number)*GY(j)*GZ(k)/((NY - 1)*DSPACE*(NZ - 1)*DSPACE) &
+ PI*NVORTALL(3, field%field_number)*GY(j)*GX(i)/((NY - 1)*DSPACE*(NX - 1)*DSPACE)
end do
end do
end do
!$OMP end parallel do
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
field%QP_E(i, j, k, 3) = PI*NVORTALL(1, field%field_number)*GZ(k)*GY(j)/((NZ - 1)*DSPACE*(NY - 1)*DSPACE) &
- PI*NVORTALL(2, field%field_number)*GZ(k)*GX(i)/((NZ - 1)*DSPACE*(NX - 1)*DSPACE)
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine setupGXYZ
implicit none
integer :: i, j, k
!Note: includes implicit MPI periodicity
do k = sz, ez
GZ(k) = (k + local_k_offset - 1)*DSPACE - ZSHIFT
end do
do j = sy, ey
GY(j) = (j - 1)*DSPACE - YSHIFT
end do
do i = sx, ex
GX(i) = (i - 1)*DSPACE - XSHIFT
end do
end subroutine
subroutine setupKXYZ
implicit none
integer :: i, j, k
DKSPACE = 2*PI/(DSPACE*NX)
do k = sz, ez
if ((k + local_k_offset - 1) < NZ/2) then
KZ(k) = 2*PI*(k + local_k_offset - 1)/(DSPACE*NZ)
else
KZ(k) = -2*PI*(NZ - k - local_k_offset + 1)/(DSPACE*NZ)
end if
end do
do j = sy, ey
if (j - 1 < NY/2) then
KY(j) = 2*PI*(j - 1)/(DSPACE*NY)
else
KY(j) = -2*PI*(NY - j + 1)/(DSPACE*NY)
end if
end do
do i = sx, ex
if (i - 1 < NX/2) then
KX(i) = 2*PI*(i - 1)/(DSPACE*NX)
else
KX(i) = -2*PI*(NX - i + 1)/(DSPACE*NX)
end if
end do
end subroutine
end module