mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-05 05:33:56 +01:00
135 lines
3.8 KiB
Fortran
135 lines
3.8 KiB
Fortran
subroutine ZMQ_selection(N_in, pt2)
|
|
use f77_zmq
|
|
use selection_types
|
|
|
|
implicit none
|
|
|
|
integer(ZMQ_PTR) :: zmq_to_qp_run_socket
|
|
integer, intent(in) :: N_in
|
|
type(selection_buffer) :: b
|
|
integer :: i, N
|
|
integer, external :: omp_get_thread_num
|
|
double precision, intent(out) :: pt2(N_states)
|
|
integer, parameter :: maxtasks=10000
|
|
|
|
|
|
PROVIDE fragment_count
|
|
|
|
N = max(N_in,1)
|
|
if (.True.) then
|
|
PROVIDE pt2_e0_denominator nproc
|
|
PROVIDE psi_bilinear_matrix_columns_loc psi_det_alpha_unique psi_det_beta_unique
|
|
PROVIDE psi_bilinear_matrix_rows psi_det_sorted_order psi_bilinear_matrix_order
|
|
PROVIDE psi_bilinear_matrix_transp_rows_loc psi_bilinear_matrix_transp_columns
|
|
PROVIDE psi_bilinear_matrix_transp_order
|
|
|
|
call new_parallel_job(zmq_to_qp_run_socket,"selection")
|
|
call zmq_put_psi(zmq_to_qp_run_socket,1,pt2_e0_denominator,size(pt2_e0_denominator))
|
|
call create_selection_buffer(N, N*2, b)
|
|
endif
|
|
|
|
character*(20*maxtasks) :: task
|
|
task = ' '
|
|
|
|
integer :: k
|
|
k=0
|
|
do i= 1, N_det_generators
|
|
k = k+1
|
|
write(task(20*(k-1)+1:20*k),'(I9,1X,I9,''|'')') i, N
|
|
if (k>=maxtasks) then
|
|
k=0
|
|
call add_task_to_taskserver(zmq_to_qp_run_socket,task)
|
|
endif
|
|
end do
|
|
if (k > 0) then
|
|
call add_task_to_taskserver(zmq_to_qp_run_socket,task)
|
|
endif
|
|
call zmq_set_running(zmq_to_qp_run_socket)
|
|
|
|
!$OMP PARALLEL DEFAULT(shared) SHARED(b, pt2) PRIVATE(i) NUM_THREADS(nproc+1)
|
|
i = omp_get_thread_num()
|
|
if (i==0) then
|
|
call selection_collector(b, N, pt2)
|
|
else
|
|
call selection_slave_inproc(i)
|
|
endif
|
|
!$OMP END PARALLEL
|
|
call end_parallel_job(zmq_to_qp_run_socket, 'selection')
|
|
if (N_in > 0) then
|
|
call fill_H_apply_buffer_no_selection(b%cur,b%det,N_int,0)
|
|
call copy_H_apply_buffer_to_wf()
|
|
if (s2_eig) then
|
|
call make_s2_eigenfunction
|
|
endif
|
|
call save_wavefunction
|
|
endif
|
|
call delete_selection_buffer(b)
|
|
|
|
end subroutine
|
|
|
|
|
|
subroutine selection_slave_inproc(i)
|
|
implicit none
|
|
integer, intent(in) :: i
|
|
|
|
call run_selection_slave(1,i,pt2_e0_denominator)
|
|
end
|
|
|
|
subroutine selection_collector(b, N, pt2)
|
|
use f77_zmq
|
|
use selection_types
|
|
use bitmasks
|
|
implicit none
|
|
|
|
|
|
type(selection_buffer), intent(inout) :: b
|
|
integer, intent(in) :: N
|
|
double precision, intent(out) :: pt2(N_states)
|
|
double precision :: pt2_mwen(N_states)
|
|
integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
|
|
integer(ZMQ_PTR) :: zmq_to_qp_run_socket
|
|
|
|
integer(ZMQ_PTR), external :: new_zmq_pull_socket
|
|
integer(ZMQ_PTR) :: zmq_socket_pull
|
|
|
|
integer :: msg_size, rc, more
|
|
integer :: acc, i, j, robin, ntask
|
|
double precision, pointer :: val(:)
|
|
integer(bit_kind), pointer :: det(:,:,:)
|
|
integer, allocatable :: task_id(:)
|
|
real :: time, time0
|
|
type(selection_buffer) :: b2
|
|
|
|
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
|
|
zmq_socket_pull = new_zmq_pull_socket()
|
|
call create_selection_buffer(N, N*8, b2)
|
|
allocate(task_id(N_det_generators))
|
|
more = 1
|
|
pt2(:) = 0d0
|
|
call CPU_TIME(time0)
|
|
do while (more == 1)
|
|
call pull_selection_results(zmq_socket_pull, pt2_mwen, b2%val(1), b2%det(1,1,1), b2%cur, task_id, ntask)
|
|
|
|
pt2 += pt2_mwen
|
|
do i=1, b2%cur
|
|
call add_to_selection_buffer(b, b2%det(1,1,i), b2%val(i))
|
|
if (b2%val(i) > b%mini) exit
|
|
end do
|
|
|
|
do i=1, ntask
|
|
if(task_id(i) == 0) then
|
|
print *, "Error in collector"
|
|
endif
|
|
call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id(i),more)
|
|
end do
|
|
call CPU_TIME(time)
|
|
end do
|
|
|
|
|
|
call delete_selection_buffer(b2)
|
|
call sort_selection_buffer(b)
|
|
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
|
|
call end_zmq_pull_socket(zmq_socket_pull)
|
|
end subroutine
|
|
|