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Merge branch 'master' of github.com:scemama/quantum_package

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This commit is contained in:
Anthony Scemama 2018-05-23 13:49:50 +02:00
commit a0850d34ad
2 changed files with 34 additions and 18 deletions
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6
plugins/Full_CI_ZMQ/run_selection_slave.irp.f
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@ -50,8 +50,8 @@ subroutine run_selection_slave(thread,iproc,energy)
if (done) then
ctask = ctask - 1
else
integer :: i_generator, N
read(task,*) i_generator, N
integer :: i_generator, N, subset
read(task,*) subset, i_generator, N
if(buf%N == 0) then
! Only first time
call create_selection_buffer(N, N*2, buf)
@ -60,7 +60,7 @@ subroutine run_selection_slave(thread,iproc,energy)
else
ASSERT (N == buf%N)
end if
call select_connected(i_generator,energy,pt2,buf,0)
call select_connected(i_generator,energy,pt2,buf,subset)
endif
integer, external :: task_done_to_taskserver

46
plugins/Full_CI_ZMQ/zmq_selection.irp.f
View File

@ -10,7 +10,6 @@ subroutine ZMQ_selection(N_in, pt2)
integer :: i, N
integer, external :: omp_get_thread_num
double precision, intent(out) :: pt2(N_states)
integer, parameter :: maxtasks=10000
PROVIDE fragment_count
@ -21,7 +20,7 @@ subroutine ZMQ_selection(N_in, pt2)
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 fragment_count
call new_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull,'selection')
@ -46,26 +45,40 @@ subroutine ZMQ_selection(N_in, pt2)
endif
integer, external :: add_task_to_taskserver
character*(20*maxtasks) :: task
character(len=64000) :: task
integer :: j,k,ipos
ipos=1
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
if (add_task_to_taskserver(zmq_to_qp_run_socket,task) == -1) then
stop 'Unable to add task to task server'
endif
if (i>ishft(N_det_generators,-7)) then
write(task(ipos:ipos+30),'(I9,1X,I9,1X,I9,''|'')') 0, i, N
ipos += 30
if (ipos > 63970) then
if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
stop 'Unable to add task to task server'
endif
ipos=1
endif
else
do j=1,fragment_count
write(task(ipos:ipos+30),'(I9,1X,I9,1X,I9,''|'')') j, i, N
ipos += 30
if (ipos > 63970) then
if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
stop 'Unable to add task to task server'
endif
ipos=1
endif
end do
endif
end do
if (k > 0) then
if (add_task_to_taskserver(zmq_to_qp_run_socket,task) == -1) then
enddo
if (ipos > 1) then
if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
stop 'Unable to add task to task server'
endif
endif
ASSERT (associated(b%det))
ASSERT (associated(b%val))
@ -130,6 +143,9 @@ subroutine selection_collector(zmq_socket_pull, b, N, pt2)
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)