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This commit is contained in:
Yann Garniron 2018-01-09 13:29:34 +01:00
parent 82d37fa2b2
commit 5166768d96
3 changed files with 14 additions and 4 deletions
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2
plugins/dress_zmq/dress_slave.irp.f
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@ -1,4 +1,4 @@
subroutine dress_slave() subroutine dress_slave
implicit none implicit none
BEGIN_DOC BEGIN_DOC
! Helper program to compute the dress in distributed mode. ! Helper program to compute the dress in distributed mode.

13
plugins/mrcepa0/mrcc_slave.irp.f
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@ -26,6 +26,10 @@ subroutine run_wf
character*(64) :: states(1) character*(64) :: states(1)
integer :: rc, i 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 call provide_everything
zmq_context = f77_zmq_ctx_new () zmq_context = f77_zmq_ctx_new ()
@ -47,7 +51,14 @@ subroutine run_wf
! --------- ! ---------
print *, 'mrcc' 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_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_rows psi_det_sorted_order psi_bilinear_matrix_order

1
plugins/mrcepa0/mrcc_stoch_routines.irp.f
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@ -75,7 +75,6 @@ subroutine ZMQ_mrcc(E, mrcc, delta, delta_s2, relative_error)
! end do ! end do
integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
integer, external :: add_task_to_taskserver, zmq_set_running
integer :: ipos integer :: ipos
ipos=1 ipos=1
do i=1,N_mrcc_jobs do i=1,N_mrcc_jobs