quantum_package/plugins/Full_CI_ZMQ/zmq_selection.irp.f

143 lines
4.1 KiB
Fortran

subroutine ZMQ_selection(N_in, pt2)
use f77_zmq
use selection_types
implicit none
integer(ZMQ_PTR) :: zmq_to_qp_run_socket , zmq_socket_pull
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
integer, external :: zmq_put_dvector
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,zmq_socket_pull,'selection')
call zmq_put_psi(zmq_to_qp_run_socket,1)
call zmq_put_N_det_generators(zmq_to_qp_run_socket, 1)
call zmq_put_N_det_selectors(zmq_to_qp_run_socket, 1)
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'energy',pt2_e0_denominator,size(pt2_e0_denominator)) == -1) then
stop 'Unable to put energy on ZMQ server'
endif
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)
ASSERT (associated(b%det))
ASSERT (associated(b%val))
!$OMP PARALLEL DEFAULT(shared) SHARED(b, pt2) PRIVATE(i) NUM_THREADS(nproc+1)
i = omp_get_thread_num()
if (i==0) then
call selection_collector(zmq_socket_pull, b, N, pt2)
else
call selection_slave_inproc(i)
endif
!$OMP END PARALLEL
call end_parallel_job(zmq_to_qp_run_socket, zmq_socket_pull, 'selection')
do i=N_det+1,N_states
pt2(i) = 0.d0
enddo
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.or.(N_states > 1) ) 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(zmq_socket_pull, b, N, pt2)
use f77_zmq
use selection_types
use bitmasks
implicit none
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
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 :: msg_size, rc, more
integer :: acc, i, j, robin, ntask
double precision, pointer :: val(:)
integer(bit_kind), pointer :: det(:,:,:)
integer, allocatable :: task_id(:)
type(selection_buffer) :: b2
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
call create_selection_buffer(N, N*2, b2)
allocate(task_id(N_det_generators))
more = 1
pt2(:) = 0d0
pt2_mwen(:) = 0.d0
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
end do
call delete_selection_buffer(b2)
call sort_selection_buffer(b)
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
end subroutine