LCPQ
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qp2
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Merge branch 'develop' into develop_manu

This commit is contained in:
eginer 2019-02-01 16:29:52 +01:00
parent ecaa190f63 ca26262907
commit e41e34be58
11 changed files with 341 additions and 51 deletions
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10
src/cipsi/energy.irp.f
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@ -11,9 +11,15 @@ BEGIN_PROVIDER [ double precision, pt2_E0_denominator, (N_states) ]
BEGIN_DOC
! E0 in the denominator of the PT2
END_DOC
integer :: i,j
if (initialize_pt2_E0_denominator) then
if (h0_type == "EN") then
pt2_E0_denominator(1:N_states) = psi_energy(1:N_states)
else if (h0_type == "HF") then
do i=1,N_states
j = maxloc(abs(psi_coef(:,i)),1)
pt2_E0_denominator(i) = psi_det_hii(j)
enddo
else if (h0_type == "Barycentric") then
pt2_E0_denominator(1:N_states) = barycentric_electronic_energy(1:N_states)
else if (h0_type == "Variance") then
@ -24,7 +30,9 @@ BEGIN_PROVIDER [ double precision, pt2_E0_denominator, (N_states) ]
print *, h0_type, ' not implemented'
stop
endif
call write_double(6,pt2_E0_denominator(1)+nuclear_repulsion, 'PT2 Energy denominator')
do i=1,N_states
call write_double(6,pt2_E0_denominator(i)+nuclear_repulsion, 'PT2 Energy denominator')
enddo
else
pt2_E0_denominator = -huge(1.d0)
endif

22
src/cipsi/pt2_stoch_routines.irp.f
View File

@ -248,8 +248,8 @@ subroutine ZMQ_pt2(E, pt2,relative_error, error, variance, norm, N_in)
+ 64.d0*pt2_n_tasks_max & ! task
+ 3.d0*pt2_n_tasks_max*N_states & ! pt2, variance, norm
+ 1.d0*pt2_n_tasks_max & ! i_generator, subset
+ 2.d0*(N_int*2.d0*N_in + N_in) & ! selection buffers
+ 1.d0*(N_int*2.d0*N_in + N_in) & ! sort/merge selection buffers
+ 1.d0*(N_int*2.d0*ii+ ii) & ! selection buffer
+ 1.d0*(N_int*2.d0*ii+ ii) & ! sort selection buffer
+ 2.0d0*(ii) & ! preinteresting, interesting,
! prefullinteresting, fullinteresting
+ 2.0d0*(N_int*2*ii) & ! minilist, fullminilist
@ -350,7 +350,8 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2, error, varianc
double precision, allocatable :: nI(:,:), nI_task(:,:), T3(:)
integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_to_qp_run_socket
integer, external :: zmq_delete_tasks
integer, external :: zmq_delete_tasks_async_send
integer, external :: zmq_delete_tasks_async_recv
integer, external :: zmq_abort
integer, external :: pt2_find_sample_lr
@ -364,7 +365,7 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2, error, varianc
integer, allocatable :: f(:)
logical, allocatable :: d(:)
logical :: do_exit, stop_now
logical :: do_exit, stop_now, sending
logical, external :: qp_stop
type(selection_buffer) :: b2
@ -372,6 +373,8 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2, error, varianc
double precision :: rss
double precision, external :: memory_of_double, memory_of_int
sending =.False.
rss = memory_of_int(pt2_n_tasks_max*2+N_det_generators*2)
rss += memory_of_double(N_states*N_det_generators)*3.d0
rss += memory_of_double(N_states*pt2_n_tasks_max)*3.d0
@ -422,6 +425,7 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2, error, varianc
stop_now = .false.
do while (n <= N_det_generators)
if(f(pt2_J(n)) == 0) then
!print *, 'f(pt2_J(n)) == 0'
d(pt2_J(n)) = .true.
do while(d(U+1))
U += 1
@ -447,6 +451,7 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2, error, varianc
! Add Stochastic part
c = pt2_R(n)
if(c > 0) then
!print *, 'c>0'
x = 0d0
x2 = 0d0
x3 = 0d0
@ -500,7 +505,7 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2, error, varianc
exit
else
call pull_pt2_results(zmq_socket_pull, index, eI_task, vI_task, nI_task, task_id, n_tasks, b2)
if (zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more) == -1) then
if (zmq_delete_tasks_async_send(zmq_to_qp_run_socket,task_id,n_tasks,sending) == -1) then
stop 'Unable to delete tasks'
endif
do i=1,n_tasks
@ -511,12 +516,19 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2, error, varianc
end do
do i=1, b2%cur
call add_to_selection_buffer(b, b2%det(1,1,i), b2%val(i))
! We assume the pulled buffer is sorted
if (b2%val(i) > b%mini) exit
end do
if (zmq_delete_tasks_async_recv(zmq_to_qp_run_socket,more,sending) == -1) then
stop 'Unable to delete tasks'
endif
end if
end do
!print *, 'deleting b2'
call delete_selection_buffer(b2)
!print *, 'sorting b'
call sort_selection_buffer(b)
!print *, 'done'
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
end subroutine

148
src/cipsi/run_pt2_slave.irp.f
View File

@ -1,4 +1,3 @@
subroutine run_pt2_slave(thread,iproc,energy)
use f77_zmq
use selection_types
@ -18,7 +17,7 @@ subroutine run_pt2_slave(thread,iproc,energy)
integer(ZMQ_PTR), external :: new_zmq_push_socket
integer(ZMQ_PTR) :: zmq_socket_push
type(selection_buffer) :: b, b2
type(selection_buffer) :: b
logical :: done, buffer_ready
double precision,allocatable :: pt2(:,:), variance(:,:), norm(:,:)
@ -27,6 +26,9 @@ subroutine run_pt2_slave(thread,iproc,energy)
double precision :: rss
double precision, external :: memory_of_double, memory_of_int
integer :: bsize ! Size of selection buffers
logical :: sending
rss = memory_of_int(pt2_n_tasks_max)*67.d0
rss += memory_of_double(pt2_n_tasks_max)*(N_states*3)
call check_mem(rss,irp_here)
@ -50,6 +52,7 @@ subroutine run_pt2_slave(thread,iproc,energy)
buffer_ready = .False.
n_tasks = 1
sending = .False.
done = .False.
n_tasks = 1
do while (.not.done)
@ -72,8 +75,8 @@ subroutine run_pt2_slave(thread,iproc,energy)
enddo
if (b%N == 0) then
! Only first time
call create_selection_buffer(N, N*2, b)
call create_selection_buffer(N, N*2, b2)
bsize = min(N, (elec_alpha_num * (mo_num-elec_alpha_num))**2)
call create_selection_buffer(bsize, bsize*2, b)
buffer_ready = .True.
else
ASSERT (N == b%N)
@ -100,14 +103,14 @@ subroutine run_pt2_slave(thread,iproc,energy)
done = .true.
endif
call sort_selection_buffer(b)
call merge_selection_buffers(b,b2)
call push_pt2_results(zmq_socket_push, i_generator, pt2, variance, norm, b, task_id, n_tasks)
b%mini = b2%mini
call push_pt2_results_async_recv(zmq_socket_push,b%mini,sending)
call push_pt2_results_async_send(zmq_socket_push, i_generator, pt2, variance, norm, b, task_id, n_tasks,sending)
b%cur=0
! Try to adjust n_tasks around nproc/8 seconds per job
n_tasks = min(2*n_tasks,int( dble(n_tasks * nproc/8) / (time1 - time0 + 1.d0)))
! Try to adjust n_tasks around nproc/2 seconds per job
n_tasks = min(2*n_tasks,int( dble(n_tasks * nproc/2) / (time1 - time0 + 1.d0)))
end do
call push_pt2_results_async_recv(zmq_socket_push,b%mini,sending)
integer, external :: disconnect_from_taskserver
do i=1,300
@ -120,7 +123,6 @@ subroutine run_pt2_slave(thread,iproc,energy)
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
if (buffer_ready) then
call delete_selection_buffer(b)
call delete_selection_buffer(b2)
endif
end subroutine
@ -226,6 +228,129 @@ IRP_ENDIF
end subroutine
subroutine push_pt2_results_async_send(zmq_socket_push, index, pt2, variance, norm, b, task_id, n_tasks, sending)
use f77_zmq
use selection_types
implicit none
integer(ZMQ_PTR), intent(in) :: zmq_socket_push
double precision, intent(in) :: pt2(N_states,n_tasks)
double precision, intent(in) :: variance(N_states,n_tasks)
double precision, intent(in) :: norm(N_states,n_tasks)
integer, intent(in) :: n_tasks, index(n_tasks), task_id(n_tasks)
type(selection_buffer), intent(inout) :: b
logical, intent(inout) :: sending
integer :: rc
if (sending) then
print *, irp_here, ': sending is true'
stop -1
endif
sending = .True.
rc = f77_zmq_send( zmq_socket_push, n_tasks, 4, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 4) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, index, 4*n_tasks, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 4*n_tasks) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, pt2, 8*N_states*n_tasks, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 8*N_states*n_tasks) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, variance, 8*N_states*n_tasks, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 8*N_states*n_tasks) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, norm, 8*N_states*n_tasks, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 8*N_states*n_tasks) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, task_id, n_tasks*4, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 4*n_tasks) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, b%cur, 4, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 4) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, b%val, 8*b%cur, ZMQ_SNDMORE)
if (rc == -1) then
return
else if(rc /= 8*b%cur) then
stop 'push'
endif
rc = f77_zmq_send( zmq_socket_push, b%det, bit_kind*N_int*2*b%cur, 0)
if (rc == -1) then
return
else if(rc /= N_int*2*8*b%cur) then
stop 'push'
endif
end subroutine
subroutine push_pt2_results_async_recv(zmq_socket_push,mini,sending)
use f77_zmq
use selection_types
implicit none
integer(ZMQ_PTR), intent(in) :: zmq_socket_push
double precision, intent(out) :: mini
logical, intent(inout) :: sending
integer :: rc
if (.not.sending) return
! Activate is zmq_socket_push is a REQ
IRP_IF ZMQ_PUSH
IRP_ELSE
character*(2) :: ok
rc = f77_zmq_recv( zmq_socket_push, ok, 2, 0)
if (rc == -1) then
return
else if ((rc /= 2).and.(ok(1:2) /= 'ok')) then
print *, irp_here//': error in receiving ok'
stop -1
endif
rc = f77_zmq_recv( zmq_socket_push, mini, 8, 0)
IRP_ENDIF
sending = .False.
end subroutine
subroutine pull_pt2_results(zmq_socket_pull, index, pt2, variance, norm, task_id, n_tasks, b)
use f77_zmq
use selection_types
@ -315,7 +440,7 @@ subroutine pull_pt2_results(zmq_socket_pull, index, pt2, variance, norm, task_id
! Activate is zmq_socket_pull is a REP
IRP_IF ZMQ_PUSH
IRP_ELSE
rc = f77_zmq_send( zmq_socket_pull, 'ok', 2, 0)
rc = f77_zmq_send( zmq_socket_pull, 'ok', 2, ZMQ_SNDMORE)
if (rc == -1) then
n_tasks = 1
task_id(1) = 0
@ -323,6 +448,7 @@ IRP_ELSE
print *, irp_here//': error in sending ok'
stop -1
endif
rc = f77_zmq_send( zmq_socket_pull, b%mini, 8, 0)
IRP_ENDIF
end subroutine

13
src/cipsi/run_selection_slave.irp.f
View File

@ -55,12 +55,13 @@ subroutine run_selection_slave(thread,iproc,energy)
if (done) then
ctask = ctask - 1
else
integer :: i_generator, N, subset
integer :: i_generator, N, subset, bsize
read(task,*) subset, i_generator, N
if(buf%N == 0) then
! Only first time
call create_selection_buffer(N, N*2, buf)
call create_selection_buffer(N, N*2, buf2)
bsize = min(N, (elec_alpha_num * (mo_num-elec_alpha_num))**2)
call create_selection_buffer(bsize, bsize*2, buf)
! call create_selection_buffer(N, N*2, buf2)
buffer_ready = .True.
else
ASSERT (N == buf%N)
@ -83,9 +84,9 @@ subroutine run_selection_slave(thread,iproc,energy)
end do
if(ctask > 0) then
call sort_selection_buffer(buf)
call merge_selection_buffers(buf,buf2)
! call merge_selection_buffers(buf,buf2)
call push_selection_results(zmq_socket_push, pt2, variance, norm, buf, task_id(1), ctask)
buf%mini = buf2%mini
! buf%mini = buf2%mini
pt2(:) = 0d0
variance(:) = 0d0
norm(:) = 0d0
@ -108,7 +109,7 @@ subroutine run_selection_slave(thread,iproc,energy)
call end_zmq_push_socket(zmq_socket_push,thread)
if (buffer_ready) then
call delete_selection_buffer(buf)
call delete_selection_buffer(buf2)
! call delete_selection_buffer(buf2)
endif
end subroutine

30
src/cipsi/selection.irp.f
View File

@ -153,9 +153,6 @@ subroutine select_singles_and_doubles(i_generator,hole_mask,particle_mask,fock_d
logical :: monoAdo, monoBdo
integer :: maskInd
double precision :: rss
double precision, external :: memory_of_double, memory_of_int
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
@ -231,7 +228,7 @@ subroutine select_singles_and_doubles(i_generator,hole_mask,particle_mask,fock_d
deallocate(exc_degree)
nmax=k-1
allocate(iorder(nmax))
do i=1,nmax
iorder(i) = i
@ -241,8 +238,8 @@ subroutine select_singles_and_doubles(i_generator,hole_mask,particle_mask,fock_d
allocate(preinteresting(0:32), prefullinteresting(0:32), &
interesting(0:32), fullinteresting(0:32))
preinteresting(0) = 0
prefullinteresting(0) = 0
preinteresting(:) = 0
prefullinteresting(:) = 0
do i=1,N_int
negMask(i,1) = not(psi_det_generators(i,1,i_generator))
@ -645,13 +642,11 @@ subroutine splash_pq(mask, sp, det, i_gen, N_sel, bannedOrb, banned, mat, intere
negMask(i,2) = not(mask(i,2))
end do
do i=1, N_sel ! interesting(0)
!i = interesting(ii)
do i=1, N_sel
if (interesting(i) < 0) then
stop 'prefetch interesting(i) and det(i)'
endif
mobMask(1,1) = iand(negMask(1,1), det(1,1,i))
mobMask(1,2) = iand(negMask(1,2), det(1,2,i))
nt = popcnt(mobMask(1, 1)) + popcnt(mobMask(1, 2))
@ -682,10 +677,10 @@ subroutine splash_pq(mask, sp, det, i_gen, N_sel, bannedOrb, banned, mat, intere
end if
end if
call bitstring_to_list_in_selection(mobMask(1,1), p(1,1), p(0,1), N_int)
call bitstring_to_list_in_selection(mobMask(1,2), p(1,2), p(0,2), N_int)
if (interesting(i) >= i_gen) then
call bitstring_to_list_in_selection(mobMask(1,1), p(1,1), p(0,1), N_int)
call bitstring_to_list_in_selection(mobMask(1,2), p(1,2), p(0,2), N_int)
perMask(1,1) = iand(mask(1,1), not(det(1,1,i)))
perMask(1,2) = iand(mask(1,2), not(det(1,2,i)))
do j=2,N_int
@ -704,9 +699,14 @@ subroutine splash_pq(mask, sp, det, i_gen, N_sel, bannedOrb, banned, mat, intere
else
call get_d0(det(1,1,i), phasemask, bannedOrb, banned, mat, mask, h, p, sp, psi_selectors_coef_transp(1, interesting(i)))
end if
else
if(nt == 4) call past_d2(banned, p, sp)
if(nt == 3) call past_d1(bannedOrb, p)
else if(nt == 4) then
call bitstring_to_list_in_selection(mobMask(1,1), p(1,1), p(0,1), N_int)
call bitstring_to_list_in_selection(mobMask(1,2), p(1,2), p(0,2), N_int)
call past_d2(banned, p, sp)
else if(nt == 3) then
call bitstring_to_list_in_selection(mobMask(1,1), p(1,1), p(0,1), N_int)
call bitstring_to_list_in_selection(mobMask(1,2), p(1,2), p(0,2), N_int)
call past_d1(bannedOrb, p)
end if
end do

4
src/cipsi/selection_buffer.irp.f
View File

@ -2,6 +2,10 @@
subroutine create_selection_buffer(N, siz_, res)
use selection_types
implicit none
BEGIN_DOC
! Allocates the memory for a selection buffer.
! The arrays have dimension siz_ and the maximum number of elements is N
END_DOC
integer, intent(in) :: N, siz_
type(selection_buffer), intent(out) :: res

4
src/cipsi/slave_cipsi.irp.f
View File

@ -251,8 +251,8 @@ subroutine run_slave_main
+ 64.d0*pt2_n_tasks_max & ! task
+ 3.d0*pt2_n_tasks_max*N_states & ! pt2, variance, norm
+ 1.d0*pt2_n_tasks_max & ! i_generator, subset
+ 2.d0*(N_int*2.d0*N_det+ N_det) & ! selection buffers
+ 1.d0*(N_int*2.d0*N_det+ N_det) & ! sort/merge selection buffers
+ 2.d0*(N_int*2.d0*ii+ ii) & ! selection buffer
+ 1.d0*(N_int*2.d0*ii+ ii) & ! sort selection buffer
+ 2.0d0*(ii) & ! preinteresting, interesting,
! prefullinteresting, fullinteresting
+ 2.0d0*(N_int*2*ii) & ! minilist, fullminilist

2
src/cipsi/stochastic_cipsi.irp.f
View File

@ -10,7 +10,7 @@ subroutine run_stochastic_cipsi
double precision :: rss
double precision, external :: memory_of_double
PROVIDE H_apply_buffer_allocated
PROVIDE H_apply_buffer_allocated N_generators_bitmask
threshold_generators = 1.d0
SOFT_TOUCH threshold_generators

83
src/davidson/davidson_parallel.irp.f
View File

@ -139,6 +139,8 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze,
! Run tasks
! ---------
logical :: sending
sending=.False.
allocate(v_t(N_st,N_det), s_t(N_st,N_det))
do
@ -158,9 +160,11 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze,
if (task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id) == -1) then
print *, irp_here, 'Unable to send task_done'
endif
call davidson_push_results(zmq_socket_push, v_t, s_t, imin, imax, task_id)
call davidson_push_results_async_recv(zmq_socket_push, sending)
call davidson_push_results_async_send(zmq_socket_push, v_t, s_t, imin, imax, task_id, sending)
end do
deallocate(u_t,v_t, s_t)
call davidson_push_results_async_recv(zmq_socket_push, sending)
end subroutine
@ -210,6 +214,73 @@ IRP_ENDIF
end subroutine
subroutine davidson_push_results_async_send(zmq_socket_push, v_t, s_t, imin, imax, task_id,sending)
use f77_zmq
implicit none
BEGIN_DOC
! Push the results of $H | U \rangle$ from a worker to the master.
END_DOC
integer(ZMQ_PTR) ,intent(in) :: zmq_socket_push
integer ,intent(in) :: task_id, imin, imax
double precision ,intent(in) :: v_t(N_states_diag,N_det)
double precision ,intent(in) :: s_t(N_states_diag,N_det)
logical ,intent(inout) :: sending
integer :: rc, sz
integer*8 :: rc8
if (sending) then
print *, irp_here, ': sending=true'
stop -1
endif
sending = .True.
sz = (imax-imin+1)*N_states_diag
rc = f77_zmq_send( zmq_socket_push, task_id, 4, ZMQ_SNDMORE)
if(rc /= 4) stop 'davidson_push_results failed to push task_id'
rc = f77_zmq_send( zmq_socket_push, imin, 4, ZMQ_SNDMORE)
if(rc /= 4) stop 'davidson_push_results failed to push imin'
rc = f77_zmq_send( zmq_socket_push, imax, 4, ZMQ_SNDMORE)
if(rc /= 4) stop 'davidson_push_results failed to push imax'
rc8 = f77_zmq_send8( zmq_socket_push, v_t(1,imin), 8_8*sz, ZMQ_SNDMORE)
if(rc8 /= 8_8*sz) stop 'davidson_push_results failed to push vt'
rc8 = f77_zmq_send8( zmq_socket_push, s_t(1,imin), 8_8*sz, 0)
if(rc8 /= 8_8*sz) stop 'davidson_push_results failed to push st'
end subroutine
subroutine davidson_push_results_async_recv(zmq_socket_push,sending)
use f77_zmq
implicit none
BEGIN_DOC
! Push the results of $H | U \rangle$ from a worker to the master.
END_DOC
integer(ZMQ_PTR) ,intent(in) :: zmq_socket_push
logical ,intent(inout) :: sending
integer :: rc
if (.not.sending) return
! Activate is zmq_socket_push is a REQ
IRP_IF ZMQ_PUSH
IRP_ELSE
character*(2) :: ok
rc = f77_zmq_recv( zmq_socket_push, ok, 2, 0)
if ((rc /= 2).and.(ok(1:2)/='ok')) then
print *, irp_here, ': f77_zmq_recv( zmq_socket_push, ok, 2, 0)'
stop -1
endif
IRP_ENDIF
sending = .False.
end subroutine
subroutine davidson_pull_results(zmq_socket_pull, v_t, s_t, imin, imax, task_id)
@ -275,22 +346,28 @@ subroutine davidson_collector(zmq_to_qp_run_socket, zmq_socket_pull, v0, s0, sze
integer :: more, task_id, imin, imax
double precision, allocatable :: v_t(:,:), s_t(:,:)
logical :: sending
integer :: i,j
integer, external :: zmq_delete_task_async_send
integer, external :: zmq_delete_task_async_recv
allocate(v_t(N_st,N_det), s_t(N_st,N_det))
v0 = 0.d0
s0 = 0.d0
more = 1
sending = .False.
do while (more == 1)
call davidson_pull_results(zmq_socket_pull, v_t, s_t, imin, imax, task_id)
if (zmq_delete_task_async_send(zmq_to_qp_run_socket,task_id,sending) == -1) then
stop 'Unable to delete task'
endif
do j=1,N_st
do i=imin,imax
v0(i,j) = v0(i,j) + v_t(j,i)
s0(i,j) = s0(i,j) + s_t(j,i)
enddo
enddo
integer, external :: zmq_delete_task
if (zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,more) == -1) then
if (zmq_delete_task_async_recv(zmq_to_qp_run_socket,more,sending) == -1) then
stop 'Unable to delete task'
endif
end do

1
src/perturbation/h0_type.irp.f
View File

@ -8,5 +8,6 @@ BEGIN_PROVIDER [ character*32,h0_type ]
else
h0_type = 'EN'
endif
! h0_type = 'HF'
END_PROVIDER

75
src/zmq/utils.irp.f
View File

@ -246,7 +246,7 @@ IRP_ENDIF
! stop 'Unable to set ZMQ_RCVBUF on pull socket'
! endif
rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,8,4)
rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,50,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_RCVHWM on pull socket'
endif
@ -1085,6 +1085,62 @@ integer function zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id,mo
endif
end
integer function zmq_delete_task_async_send(zmq_to_qp_run_socket,task_id,sending)
use f77_zmq
implicit none
BEGIN_DOC
! When a task is done, it has to be removed from the list of tasks on the qp_run
! queue. This guarantees that the results have been received in the pull.
END_DOC
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
integer, intent(in) :: task_id
logical, intent(inout) :: sending
integer :: rc
character*(512) :: message
if (sending) then
print *, irp_here, ': sending=true'
stop -1
endif
zmq_delete_task_async_send = 0
write(message,*) 'del_task ', zmq_state, task_id
rc = f77_zmq_send(zmq_to_qp_run_socket,trim(message),len(trim(message)),0)
if (rc /= len(trim(message))) then
zmq_delete_task_async_send = -1
return
endif
sending = .True.
end
integer function zmq_delete_task_async_recv(zmq_to_qp_run_socket,more,sending)
use f77_zmq
implicit none
BEGIN_DOC
! When a task is done, it has to be removed from the list of tasks on the qp_run
! queue. This guarantees that the results have been received in the pull.
END_DOC
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
integer, intent(out) :: more
logical, intent(inout) :: sending
integer :: rc
character*(512) :: message
character*(64) :: reply
if (.not.sending) return
sending = .False.
reply = ''
rc = f77_zmq_recv(zmq_to_qp_run_socket,reply,64,0)
if (reply(16:19) == 'more') then
more = 1
else if (reply(16:19) == 'done') then
more = 0
else
zmq_delete_task_async_recv = -1
return
endif
end
integer function zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more)
use f77_zmq
implicit none
@ -1128,7 +1184,7 @@ integer function zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n
endif
end
integer function zmq_delete_tasks_async_send(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more)
integer function zmq_delete_tasks_async_send(zmq_to_qp_run_socket,task_id,n_tasks,sending)
use f77_zmq
implicit none
BEGIN_DOC
@ -1136,13 +1192,17 @@ integer function zmq_delete_tasks_async_send(zmq_to_qp_run_socket,zmq_socket_pul
! queue. This guarantees that the results have been received in the pull.
END_DOC
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_socket_pull
integer, intent(in) :: n_tasks, task_id(n_tasks)
integer, intent(in) :: more
logical, intent(inout) :: sending
integer :: rc, k
character*(64) :: fmt, reply
character(LEN=:), allocatable :: message
if (sending) then
print *, irp_here, ': sending is true'
stop -1
endif
sending = .True.
zmq_delete_tasks_async_send = 0
allocate(character(LEN=64+n_tasks*12) :: message)
@ -1162,7 +1222,7 @@ integer function zmq_delete_tasks_async_send(zmq_to_qp_run_socket,zmq_socket_pul
end
integer function zmq_delete_tasks_async_recv(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more)
integer function zmq_delete_tasks_async_recv(zmq_to_qp_run_socket,more,sending)
use f77_zmq
implicit none
BEGIN_DOC
@ -1170,12 +1230,12 @@ integer function zmq_delete_tasks_async_recv(zmq_to_qp_run_socket,zmq_socket_pul
! queue. This guarantees that the results have been received in the pull.
END_DOC
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_socket_pull
integer, intent(in) :: n_tasks, task_id(n_tasks)
integer, intent(out) :: more
logical, intent(inout) :: sending
integer :: rc
character*(64) :: reply
if (.not.sending) return
zmq_delete_tasks_async_recv = 0
reply = ''
@ -1188,6 +1248,7 @@ integer function zmq_delete_tasks_async_recv(zmq_to_qp_run_socket,zmq_socket_pul
else
zmq_delete_tasks_async_recv = -1
endif
sending = .False.
end