mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-08 12:43:29 +01:00
Fixed ZMQ stalling because of pseudo_sym
This commit is contained in:
parent
6455b281ff
commit
bd9816d6e3
@ -129,13 +129,13 @@ subroutine ZMQ_pt2(E, pt2,relative_error, error, variance, norm, N_in)
|
||||
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 psi_selectors_coef_transp psi_det_sorted
|
||||
PROVIDE psi_det_hii N_generators_bitmask
|
||||
PROVIDE psi_det_hii N_generators_bitmask selection_weight pseudo_sym
|
||||
|
||||
if (h0_type == 'SOP') then
|
||||
PROVIDE psi_occ_pattern_hii det_to_occ_pattern
|
||||
endif
|
||||
|
||||
if (N_det < max(1000,N_states)) then
|
||||
if (N_det < max(4,N_states)) then
|
||||
pt2=0.d0
|
||||
variance=0.d0
|
||||
norm=0.d0
|
||||
|
@ -25,8 +25,8 @@ subroutine run_selection_slave(thread,iproc,energy)
|
||||
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 N_int pt2_F
|
||||
PROVIDE psi_selectors_coef_transp psi_det_sorted
|
||||
PROVIDE psi_bilinear_matrix_transp_order N_int pt2_F pseudo_sym
|
||||
PROVIDE psi_selectors_coef_transp psi_det_sorted weight_selection
|
||||
|
||||
|
||||
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
|
||||
|
@ -17,7 +17,7 @@ subroutine provide_everything
|
||||
PROVIDE H_apply_buffer_allocated mo_two_e_integrals_in_map psi_det_generators psi_coef_generators psi_det_sorted_bit psi_selectors n_det_generators n_states generators_bitmask zmq_context N_states_diag
|
||||
PROVIDE pt2_e0_denominator mo_num N_int ci_energy mpi_master zmq_state zmq_context
|
||||
PROVIDE psi_det psi_coef threshold_generators state_average_weight
|
||||
PROVIDE N_det_selectors pt2_stoch_istate N_det
|
||||
PROVIDE N_det_selectors pt2_stoch_istate N_det selection_weight pseudo_sym
|
||||
end
|
||||
|
||||
subroutine run_slave_main
|
||||
|
@ -21,7 +21,7 @@ subroutine ZMQ_selection(N_in, pt2, variance, norm)
|
||||
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
|
||||
PROVIDE psi_bilinear_matrix_transp_order selection_weight pseudo_sym
|
||||
|
||||
call new_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull,'selection')
|
||||
|
||||
@ -86,7 +86,7 @@ subroutine ZMQ_selection(N_in, pt2, variance, norm)
|
||||
|
||||
integer :: nproc_target
|
||||
if (N_det < 3*nproc) then
|
||||
nproc_target = N_det/3
|
||||
nproc_target = N_det/4
|
||||
else
|
||||
nproc_target = nproc
|
||||
endif
|
||||
@ -157,9 +157,9 @@ subroutine selection_collector(zmq_socket_pull, b, N, pt2, variance, norm)
|
||||
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
|
||||
type(selection_buffer), intent(inout) :: b
|
||||
integer, intent(in) :: N
|
||||
double precision, intent(inout) :: pt2(N_states)
|
||||
double precision, intent(inout) :: variance(N_states)
|
||||
double precision, intent(inout) :: norm(N_states)
|
||||
double precision, intent(out) :: pt2(N_states)
|
||||
double precision, intent(out) :: variance(N_states)
|
||||
double precision, intent(out) :: norm(N_states)
|
||||
double precision :: pt2_mwen(N_states)
|
||||
double precision :: variance_mwen(N_states)
|
||||
double precision :: norm_mwen(N_states)
|
||||
|
Loading…
Reference in New Issue
Block a user