mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-25 05:43:47 +01:00
merged stash
This commit is contained in:
parent
82d37fa2b2
commit
5166768d96
@ -1,4 +1,4 @@
|
||||
subroutine dress_slave()
|
||||
subroutine dress_slave
|
||||
implicit none
|
||||
BEGIN_DOC
|
||||
! Helper program to compute the dress in distributed mode.
|
||||
|
@ -26,6 +26,10 @@ subroutine run_wf
|
||||
character*(64) :: states(1)
|
||||
integer :: rc, i
|
||||
|
||||
integer, external :: zmq_get_dvector, zmq_get_N_det_generators
|
||||
integer, external :: zmq_get_psi, zmq_get_N_det_selectors
|
||||
integer, external :: zmq_get_N_states_diag
|
||||
|
||||
call provide_everything
|
||||
|
||||
zmq_context = f77_zmq_ctx_new ()
|
||||
@ -47,7 +51,14 @@ subroutine run_wf
|
||||
! ---------
|
||||
|
||||
print *, 'mrcc'
|
||||
call zmq_get_psi(zmq_to_qp_run_socket,1,energy,N_states)
|
||||
!call wall_time(t0)
|
||||
if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
|
||||
if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
|
||||
if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
|
||||
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
|
||||
|
||||
!call wall_time(t1)
|
||||
!call write_double(6,(t1-t0),'Broadcast time')
|
||||
|
||||
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
|
||||
|
@ -75,7 +75,6 @@ subroutine ZMQ_mrcc(E, mrcc, delta, delta_s2, relative_error)
|
||||
! end do
|
||||
|
||||
integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
|
||||
integer, external :: add_task_to_taskserver, zmq_set_running
|
||||
integer :: ipos
|
||||
ipos=1
|
||||
do i=1,N_mrcc_jobs
|
||||
|
Loading…
Reference in New Issue
Block a user