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rhs_rk4.f90
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rhs_rk4.f90
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module rhs_RK4
use workspace
use derivs
contains
subroutine run_checks_RK4
implicit none
if (initialCondType == 2) then
if (RANK .eq. 0) then
write (6, '(a)') "Error: Highly non-equilibrium initialCondType is not supported with 3D block distribution."
call finalize_parallel
call exit(1)
end if
end if
end subroutine
subroutine RK4_step
implicit none
integer :: f
call halo_swap_WS(WS)
call RK4_calc_WS_RHS(WS, TMPWS(1))
call RK4_sub_step(0.5d0, 6.0d0, WS)
call halo_swap_WS(TMPWS(2))
call RK4_calc_WS_RHS(TMPWS(2), TMPWS(1))
call RK4_sub_step(0.5d0, 3.0d0, TMPWS(3))
call halo_swap_WS(TMPWS(2))
call RK4_calc_WS_RHS(TMPWS(2), TMPWS(1))
call RK4_sub_step(1.0d0, 3.0d0, TMPWS(3))
call halo_swap_WS(TMPWS(2))
call RK4_calc_WS_RHS(TMPWS(2), TMPWS(1))
call RK4_final_step
!Renormalise WF after imaginary time decay
if (RT .eq. 0 .and. (.not. NORENORM)) then
do f = 1, FLUIDS
call RK4_renormalise_fluid(WS%FLUID(f)%GRID, TMPWS(1)%FLUID(f)%GRID)
end do
end if
end subroutine
subroutine RK4_sub_step(d1, d2, IWS)
implicit none
integer :: f, i, j, k
double precision :: d1, d2
type(workspace_t), intent(in) :: IWS
!$OMP parallel do private (f,i,j,k) collapse(4)
do f = 1, FLUIDS
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
TMPWS(2)%FLUID(f)%GRID(i, j, k) = WS%FLUID(f)%GRID(i, j, k) + TMPWS(1)%FLUID(f)%GRID(i, j, k)*d1*DT
TMPWS(3)%FLUID(f)%GRID(i, j, k) = IWS%FLUID(f)%GRID(i, j, k) + TMPWS(1)%FLUID(f)%GRID(i, j, k)*(DT/d2)
end do
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine RK4_final_step
implicit none
integer :: f, i, j, k
!$OMP parallel do private (f,i,j,k) collapse(4)
do f = 1, FLUIDS
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
WS%FLUID(f)%GRID(i, j, k) = TMPWS(3)%FLUID(f)%GRID(i, j, k) + TMPWS(1)%FLUID(f)%GRID(i, j, k)*(DT/6.0d0)
end do
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine RK4_calc_WS_RHS(ws_in, ws_out)
implicit none
type(workspace_t), intent(in) :: ws_in
type(workspace_t), intent(out) :: ws_out
integer :: f
do f = 1, FLUIDS
call RK4_calc_RHS_Fluid(f, ws_in, ws_out)
end do
end subroutine
subroutine RK4_calc_RHS_Fluid(f, ws_in, ws_out)
implicit none
integer :: f, i, j, k, p
type(workspace_t), intent(in) :: ws_in
type(workspace_t), intent(out) :: ws_out
if (RHSType .eq. 0) then
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = -0.5d0*laplacian(ws_in%FLUID(f), i, j, k) &
+ POT(i, j, k)*ws_in%FLUID(f)%GRID(i, j, k) &
- ws_in%FLUID(f)%GRID(i, j, k)
if (VELX > 0) then
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) + VELX*EYE*ddx(ws_in%FLUID(f), i, j, k)
end if
if (VELY > 0) then
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) + VELY*EYE*ddy(ws_in%FLUID(f), i, j, k)
end if
if (VELZ > 0) then
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) + VELZ*EYE*ddz(ws_in%FLUID(f), i, j, k)
end if
if (ANY(OMEGAALL .ne. 0.0d0)) then
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) &
- OMEGAALL(1, f)*EYE*(GY(j)*ddz(ws_in%FLUID(f), i, j, k) &
- GZ(k)*ddy(ws_in%FLUID(f), i, j, k)) &
- OMEGAALL(2, f)*EYE*(GZ(k)*ddx(ws_in%FLUID(f), i, j, k) &
- GX(i)*ddz(ws_in%FLUID(f), i, j, k)) &
- OMEGAALL(3, f)*EYE*(GX(i)*ddy(ws_in%FLUID(f), i, j, k) &
- GY(j)*ddx(ws_in%FLUID(f), i, j, k))
end if
end do
end do
end do
!$OMP end parallel do
do p = 1, FLUIDS
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) + GG(f, p)*ws_in%FLUID(p)%GRID(i, j, k) &
*CONJG(ws_in%FLUID(p)%GRID(i, j, k))*ws_in%FLUID(f)%GRID(i, j, k)
end do
end do
end do
!$OMP end parallel do
end do
end if
if (RHSType .eq. 1) then
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = -0.5d0/MASS(f)*laplacian(ws_in%FLUID(f), i, j, k) &
+ MASS(f)*POT(i, j, k)*ws_in%FLUID(f)%GRID(i, j, k) &
- MASS(f)*harm_osc_mu*ws_in%FLUID(f)%GRID(i, j, k)
if (ANY(OMEGAALL .ne. 0.0d0)) then
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) &
- OMEGAALL(1, f)*EYE*(GY(j)*ddz(ws_in%FLUID(f), i, j, k) &
- GZ(k)*ddy(ws_in%FLUID(f), i, j, k)) &
- OMEGAALL(2, f)*EYE*(GZ(k)*ddx(ws_in%FLUID(f), i, j, k) &
- GX(i)*ddz(ws_in%FLUID(f), i, j, k)) &
- OMEGAALL(3, f)*EYE*(GX(i)*ddy(ws_in%FLUID(f), i, j, k) &
- GY(j)*ddx(ws_in%FLUID(f), i, j, k))
end if
end do
end do
end do
!$OMP end parallel do
do p = 1, FLUIDS
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) + harm_osc_C*GG(f, p)*ws_in%FLUID(p)%GRID(i, j, k) &
*CONJG(ws_in%FLUID(p)%GRID(i, j, k))*ws_in%FLUID(f)%GRID(i, j, k)
end do
end do
end do
!$OMP end parallel do
end do
end if
if (RHSType .eq. 3) then
TMPWS(4)%FLUID(1)%field_number = f
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
TMPWS(4)%FLUID(1)%GRID(i, j, k) = CONJG(exp(EYE*WS%FLUID(f)%QP_E(i, j, k, 1)))*ws_in%FLUID(f)%GRID(i, j, k)
end do
end do
end do
!$OMP end parallel do
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = -ws_in%FLUID(f)%GRID(i, j, k) - exp(EYE*WS%FLUID(f)%QP_E(i, j, k, 1)) &
*d2dx2(TMPWS(4)%FLUID(1), i, j, k)
end do
end do
end do
!$OMP end parallel do
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
TMPWS(4)%FLUID(1)%GRID(i, j, k) = CONJG(exp(EYE*WS%FLUID(f)%QP_E(i, j, k, 2)))*ws_in%FLUID(f)%GRID(i, j, k)
end do
end do
end do
!$OMP end parallel do
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) - exp(EYE*WS%FLUID(f)%QP_E(i, j, k, 2)) &
*d2dy2(TMPWS(4)%FLUID(1), i, j, k)
end do
end do
end do
!$OMP end parallel do
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz, ez
do j = sy, ey
do i = sx, ex
TMPWS(4)%FLUID(1)%GRID(i, j, k) = CONJG(exp(EYE*WS%FLUID(f)%QP_E(i, j, k, 3)))*ws_in%FLUID(f)%GRID(i, j, k)
end do
end do
end do
!$OMP end parallel do
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) - exp(EYE*WS%FLUID(f)%QP_E(i, j, k, 3)) &
*d2dz2(TMPWS(4)%FLUID(1), i, j, k)
end do
end do
end do
!$OMP end parallel do
do p = 1, FLUIDS
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k) + GG(f, p)*ws_in%FLUID(p)%GRID(i, j, k) &
*CONJG(ws_in%FLUID(p)%GRID(i, j, k))*ws_in%FLUID(f)%GRID(i, j, k)
end do
end do
end do
!$OMP end parallel do
end do
end if
!$OMP parallel do private (i,j,k) collapse(3)
do k = sz + NGHOST, ez - NGHOST
do j = sy + NGHOST, ey - NGHOST
do i = sx + NGHOST, ex - NGHOST
ws_out%FLUID(f)%GRID(i, j, k) = ws_out%FLUID(f)%GRID(i, j, k)/(EYE - GAMMAC)
end do
end do
end do
!$OMP end parallel do
end subroutine
subroutine halo_swap_WS(ws_in)
implicit none
type(workspace_t) :: ws_in
integer :: f, n
do f = 1, FLUIDS
do n = 1, NGHOST
call halo_swap_complex(ws_in%FLUID(f)%GRID, n)
end do
end do
end subroutine
subroutine halo_swap_complex(kk, n)
use parallel
implicit none
complex*16, dimension(sx:ex, sy:ey, sz:ez) :: kk
integer :: n
include 'mpif.h'
!X dim - tag 0 and 1
call MPI_sendrecv(kk(ex - NGHOST - n + 1, sy:ey, sz:ez), (ey - sy + 1)*(ez - sz + 1), MPI_DOUBLE_COMPLEX, cart_shift(0)%rd, 0, &
kk(sx + NGHOST - n, sy:ey, sz:ez), (ey - sy + 1)*(ez - sz + 1), &
MPI_DOUBLE_COMPLEX, cart_shift(0)%rs, 0, MPI_COMM_GRID, MPISTAT, IERR)
if (IERR .ne. MPI_SUCCESS) then
write (6, *) "Error running MPI_sendrecv on Rank: ", RANK, ". Error code: ", IERR
write (6, *) "Something has gone wrong... Quitting."
CALL EXIT(1)
end if
call MPI_sendrecv(kk(sx + NGHOST + n - 1, sy:ey, sz:ez), (ey - sy + 1)*(ez - sz + 1), MPI_DOUBLE_COMPLEX, cart_shift(0)%rs, 1, &
kk(ex - NGHOST + n, sy:ey, sz:ez), (ey - sy + 1)*(ez - sz + 1), &
MPI_DOUBLE_COMPLEX, cart_shift(0)%rd, 1, MPI_COMM_GRID, MPISTAT, IERR)
if (IERR .ne. MPI_SUCCESS) then
write (6, *) "Error running MPI_sendrecv on Rank: ", RANK, ". Error code: ", IERR
write (6, *) "Something has gone wrong... Quitting."
CALL EXIT(1)
end if
!Y dim - tag 2 and 3
call MPI_sendrecv(kk(sx:ex, ey - NGHOST - n + 1, sz:ez), (ex - sx + 1)*(ez - sz + 1), MPI_DOUBLE_COMPLEX, cart_shift(1)%rd, 2, &
kk(sx:ex, sy + NGHOST - n, sz:ez), (ex - sx + 1)*(ez - sz + 1), &
MPI_DOUBLE_COMPLEX, cart_shift(1)%rs, 2, MPI_COMM_GRID, MPISTAT, IERR)
if (IERR .ne. MPI_SUCCESS) then
write (6, *) "Error running MPI_sendrecv on Rank: ", RANK, ". Error code: ", IERR
write (6, *) "Something has gone wrong... Quitting."
CALL EXIT(1)
end if
call MPI_sendrecv(kk(sx:ex, sy + NGHOST + n - 1, sz:ez), (ex - sx + 1)*(ez - sz + 1), MPI_DOUBLE_COMPLEX, cart_shift(1)%rs, 3, &
kk(sx:ex, ey - NGHOST + n, sz:ez), (ex - sx + 1)*(ez - sz + 1), &
MPI_DOUBLE_COMPLEX, cart_shift(1)%rd, 3, MPI_COMM_GRID, MPISTAT, IERR)
if (IERR .ne. MPI_SUCCESS) then
write (6, *) "Error running MPI_sendrecv on Rank: ", RANK, ". Error code: ", IERR
write (6, *) "Something has gone wrong... Quitting."
CALL EXIT(1)
end if
!Z dim - tag 4 and 5
call MPI_sendrecv(kk(sx:ex, sy:ey, ez - NGHOST - n + 1), (ex - sx + 1)*(ey - sy + 1), MPI_DOUBLE_COMPLEX, cart_shift(2)%rd, 4, &
kk(sx:ex, sy:ey, sz + NGHOST - n), (ex - sx + 1)*(ey - sy + 1), &
MPI_DOUBLE_COMPLEX, cart_shift(2)%rs, 4, MPI_COMM_GRID, MPISTAT, IERR)
if (IERR .ne. MPI_SUCCESS) then
write (6, *) "Error running MPI_sendrecv on Rank: ", RANK, ". Error code: ", IERR
write (6, *) "Something has gone wrong... Quitting."
CALL EXIT(1)
end if
call MPI_sendrecv(kk(sx:ex, sy:ey, sz + NGHOST + n - 1), (ex - sx + 1)*(ey - sy + 1), MPI_DOUBLE_COMPLEX, cart_shift(2)%rs, 5, &
kk(sx:ex, sy:ey, ez - NGHOST + n), (ex - sx + 1)*(ey - sy + 1), &
MPI_DOUBLE_COMPLEX, cart_shift(2)%rd, 5, MPI_COMM_GRID, MPISTAT, IERR)
if (IERR .ne. MPI_SUCCESS) then
write (6, *) "Error running MPI_sendrecv on Rank: ", RANK, ". Error code: ", IERR
write (6, *) "Something has gone wrong... Quitting."
CALL EXIT(1)
end if
end subroutine
subroutine RK4_renormalise_fluid(gt, tgt)
implicit none
complex*16, dimension(sx:ex, sy:ey, sz:ez) :: gt, tgt
include 'mpif.h'
double precision :: local_norm, total_norm, local_pot_int, total_pot_int
tgt(sx + NGHOST:ex - NGHOST, sy + NGHOST:ey - NGHOST, sz + NGHOST:ez - NGHOST) = &
gt(sx + NGHOST:ex - NGHOST, sy + NGHOST:ey - NGHOST, sz + NGHOST:ez - NGHOST) &
*conjg(gt(sx + NGHOST:ex - NGHOST, sy + NGHOST:ey - NGHOST, sz + NGHOST:ez - NGHOST))
local_norm = sum(tgt(sx + NGHOST:ex - NGHOST, sy + NGHOST:ey - NGHOST, sz + NGHOST:ez - NGHOST))*DSPACE*DSPACE*DSPACE
call MPI_Allreduce(local_norm, total_norm, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_FFTW, IERR)
gt(sx:ex, sy:ey, sz:ez) = gt(sx:ex, sy:ey, sz:ez)/sqrt(total_norm)
if (RHSType .ne. 1) then
tgt(sx + NGHOST:ex - NGHOST, sy + NGHOST:ey - NGHOST, sz + NGHOST:ez - NGHOST) = 0.0d0
where (POT < 1.0d0) tgt(sx + NGHOST:ex - NGHOST, sy + NGHOST:ey - NGHOST, sz + NGHOST:ez - NGHOST) = 1.0d0
local_pot_int = sum(tgt(sx + NGHOST:ex - NGHOST, sy + NGHOST:ey - NGHOST, sz + NGHOST:ez - NGHOST))*DSPACE*DSPACE*DSPACE
call MPI_Allreduce(local_pot_int, total_pot_int, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_FFTW, IERR)
gt(sx:ex, sy:ey, sz:ez) = gt(sx:ex, sy:ey, sz:ez)*sqrt(total_pot_int)
end if
end subroutine
end module