mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-28 23:26:09 +01:00
255 lines
6.6 KiB
Fortran
255 lines
6.6 KiB
Fortran
subroutine broadcast_wf(energy)
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Segment corresponding to the wave function. This is segment 0.
|
|
END_DOC
|
|
use bitmasks
|
|
use GASPI
|
|
use ISO_C_BINDING
|
|
|
|
double precision, intent(inout) :: energy(N_states)
|
|
integer(gaspi_return_t) :: res
|
|
|
|
if (is_gaspi_master) then
|
|
call broadcast_wf_put(energy)
|
|
else
|
|
call broadcast_wf_get(energy)
|
|
endif
|
|
|
|
res = gaspi_barrier(GASPI_GROUP_ALL, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_barrier failed"
|
|
stop -1
|
|
end if
|
|
|
|
|
|
integer(gaspi_segment_id_t) :: seg_id
|
|
do seg_id=0,3
|
|
res = gaspi_segment_delete(seg_id)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_segment_delete failed", seg_id
|
|
stop -1
|
|
end if
|
|
end do
|
|
|
|
end
|
|
|
|
|
|
|
|
|
|
|
|
subroutine broadcast_wf_put(energy)
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Initiates the broadcast of the wave function
|
|
END_DOC
|
|
use bitmasks
|
|
use GASPI
|
|
use ISO_C_BINDING
|
|
|
|
double precision, intent(in) :: energy(N_states)
|
|
integer(gaspi_segment_id_t) :: seg_id
|
|
integer(gaspi_alloc_t) :: seg_alloc_policy
|
|
integer(gaspi_size_t) :: seg_size(0:3)
|
|
type(c_ptr) :: seg_ptr(0:3)
|
|
integer, pointer :: params_int(:) ! Segment 0
|
|
double precision, pointer :: psi_coef_tmp(:,:) ! Segment 1
|
|
integer(bit_kind), pointer :: psi_det_tmp(:,:,:) ! Segment 2
|
|
double precision, pointer :: params_double(:) ! Segment 3
|
|
|
|
integer(gaspi_return_t) :: res
|
|
|
|
|
|
seg_alloc_policy = GASPI_MEM_UNINITIALIZED
|
|
|
|
seg_size(0) = 4 * 5
|
|
seg_id=0
|
|
res = gaspi_segment_create(seg_id, seg_size(seg_id), GASPI_GROUP_ALL, &
|
|
GASPI_BLOCK, seg_alloc_policy)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_create_segment failed", gaspi_rank, seg_id
|
|
stop -1
|
|
end if
|
|
|
|
res = gaspi_segment_ptr(seg_id, seg_ptr(seg_id))
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_segment_ptr failed", gaspi_rank
|
|
stop -1
|
|
end if
|
|
|
|
call c_f_pointer(seg_ptr(0), params_int, shape=(/ 5 /))
|
|
params_int(1) = N_states
|
|
params_int(2) = N_det
|
|
params_int(3) = psi_det_size
|
|
|
|
res = gaspi_barrier(GASPI_GROUP_ALL, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_barrier failed", gaspi_rank
|
|
stop -1
|
|
end if
|
|
|
|
seg_size(1) = 8 * psi_det_size * N_states
|
|
seg_size(2) = bit_kind * psi_det_size * 2 * N_int
|
|
seg_size(3) = 8 * N_states
|
|
|
|
do seg_id=1, 3
|
|
res = gaspi_segment_create(seg_id, seg_size(seg_id), GASPI_GROUP_ALL, &
|
|
GASPI_BLOCK, seg_alloc_policy)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_create_segment failed", gaspi_rank, seg_id
|
|
stop -1
|
|
end if
|
|
|
|
res = gaspi_segment_ptr(seg_id, seg_ptr(seg_id))
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_segment_ptr failed", gaspi_rank
|
|
stop -1
|
|
end if
|
|
end do
|
|
|
|
call c_f_pointer(seg_ptr(1), psi_coef_tmp, shape=shape(psi_coef))
|
|
call c_f_pointer(seg_ptr(2), psi_det_tmp, shape=shape(psi_det))
|
|
call c_f_pointer(seg_ptr(3), params_double, shape=(/ N_states /))
|
|
|
|
psi_coef_tmp = psi_coef
|
|
psi_det_tmp = psi_det
|
|
params_double = energy
|
|
|
|
res = gaspi_barrier(GASPI_GROUP_ALL, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_barrier failed", gaspi_rank
|
|
stop -1
|
|
end if
|
|
|
|
end
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
subroutine broadcast_wf_get(energy)
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Gets the broadcasted wave function
|
|
END_DOC
|
|
use bitmasks
|
|
use GASPI
|
|
use ISO_C_BINDING
|
|
|
|
double precision, intent(out) :: energy(N_states)
|
|
integer(gaspi_segment_id_t) :: seg_id
|
|
integer(gaspi_alloc_t) :: seg_alloc_policy
|
|
integer(gaspi_size_t) :: seg_size(0:3)
|
|
type(c_ptr) :: seg_ptr(0:3)
|
|
integer, pointer :: params_int(:) ! Segment 0
|
|
double precision, pointer :: psi_coef_tmp(:,:) ! Segment 1
|
|
integer(bit_kind), pointer :: psi_det_tmp(:,:,:) ! Segment 2
|
|
double precision, pointer :: params_double(:) ! Segment 3
|
|
|
|
integer(gaspi_return_t) :: res
|
|
|
|
|
|
seg_alloc_policy = GASPI_MEM_UNINITIALIZED
|
|
|
|
seg_size(0) = 4 * 5
|
|
seg_id=0
|
|
res = gaspi_segment_create(seg_id, seg_size(seg_id), GASPI_GROUP_ALL,&
|
|
GASPI_BLOCK, seg_alloc_policy)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_create_segment failed"
|
|
stop -1
|
|
end if
|
|
|
|
res = gaspi_segment_ptr(seg_id, seg_ptr(seg_id))
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_segment_ptr failed"
|
|
stop -1
|
|
end if
|
|
|
|
res = gaspi_barrier(GASPI_GROUP_ALL, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_barrier failed"
|
|
stop -1
|
|
end if
|
|
|
|
integer(gaspi_offset_t) :: localOff, remoteOff
|
|
integer(gaspi_rank_t) :: remoteRank
|
|
integer(gaspi_queue_id_t) :: queue
|
|
localOff = 0
|
|
remoteRank = 0
|
|
queue = 0
|
|
res = gaspi_read(seg_id, localOff, remoteRank, &
|
|
seg_id, remoteOff, seg_size(seg_id), queue, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_read failed"
|
|
stop -1
|
|
end if
|
|
|
|
res = gaspi_wait(queue, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_wait failed"
|
|
stop -1
|
|
end if
|
|
|
|
call c_f_pointer(seg_ptr(0), params_int, shape=shape( (/ 5 /) ))
|
|
|
|
N_states = params_int(1)
|
|
N_det = params_int(2)
|
|
psi_det_size = params_int(3)
|
|
TOUCH N_states N_det psi_det_size
|
|
|
|
seg_size(1) = 8 * psi_det_size * N_states
|
|
seg_size(2) = bit_kind * psi_det_size * 2 * N_int
|
|
seg_size(3) = 8 * N_states
|
|
|
|
do seg_id=1, 3
|
|
res = gaspi_segment_create(seg_id, seg_size(seg_id), GASPI_GROUP_ALL, &
|
|
GASPI_BLOCK, seg_alloc_policy)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_create_segment failed"
|
|
stop -1
|
|
end if
|
|
|
|
res = gaspi_segment_ptr(seg_id, seg_ptr(seg_id))
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_segment_ptr failed"
|
|
stop -1
|
|
end if
|
|
end do
|
|
|
|
res = gaspi_barrier(GASPI_GROUP_ALL, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_barrier failed"
|
|
stop -1
|
|
end if
|
|
|
|
do seg_id=1, 3
|
|
res = gaspi_read(seg_id, localOff, remoteRank, &
|
|
seg_id, remoteOff, seg_size(seg_id), queue, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_read failed"
|
|
stop -1
|
|
end if
|
|
res = gaspi_wait(queue, GASPI_BLOCK)
|
|
if(res .ne. GASPI_SUCCESS) then
|
|
write(*,*) "gaspi_wait failed"
|
|
stop -1
|
|
end if
|
|
end do
|
|
|
|
call c_f_pointer(seg_ptr(1), psi_coef_tmp, shape=shape(psi_coef))
|
|
call c_f_pointer(seg_ptr(2), psi_det_tmp, shape=shape(psi_det))
|
|
call c_f_pointer(seg_ptr(3), params_double, shape=shape(energy))
|
|
|
|
psi_coef = psi_coef_tmp
|
|
psi_det = psi_det_tmp
|
|
energy = params_double
|
|
|
|
end
|
|
|
|
|
|
|
|
|