debugging

plugins/dress_zmq/dress_stoch_routines.irp.f

@@ -183,6 +183,7 @@ subroutine ZMQ_dress(E, dress, delta_out, delta_s2_out, relative_error)
   
   integer, external              :: add_task_to_taskserver
   double precision               :: state_average_weight_save(N_states)
+  print *, "ZMQ_dress"
   task(:) = CHAR(0)
   allocate(delta(N_states,N_det), delta_s2(N_states, N_det))
   state_average_weight_save(:) = state_average_weight(:)
@@ -232,7 +233,7 @@ subroutine ZMQ_dress(E, dress, delta_out, delta_s2_out, relative_error)
 
 
     do i=1,N_det_generators
-      do j=1,pt2_F(i) !!!!!!!!!!!! 
+      do j=1,pt2_F(i)  
         write(task(1:20),'(I9,1X,I9''|'')') j, pt2_J(i)
         if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:20))) == -1) then
           stop 'Unable to add task to task server'
@@ -286,7 +287,7 @@ end
   
   allocate(d(N_det_generators+1))
 
-  dress_e(:,:) = 1d0
+  dress_e(:,:) = 0d0
   dress_dot_t(:) = 0
   dress_dot_n_0(:) = 0
   dress_dot_F = 0
@@ -319,6 +320,7 @@ end
       end do
     end do
   end do
+  
   do m=dress_N_cp, 2, -1
     dress_e(:,m) -= dress_e(:,m-1)
   end do
@@ -355,19 +357,20 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
   double precision, external :: omp_get_wtime
   integer, allocatable :: dot_f(:)
   integer, external :: zmq_delete_tasks, dress_find_sample
-  
+  logical :: found
+  found = .false.
   delta = 0d0
   delta_s2 = 0d0
   allocate(cp(N_states, N_det, dress_N_cp, 2), edI(N_states, N_det))
   allocate(edI_task(N_states, N_det), edI_index(N_det))
   allocate(breve_delta_m(N_states, N_det, 2))
-  allocate(dot_f(dress_N_cp))
+  allocate(dot_f(dress_N_cp+1))
   allocate(S(pt2_N_teeth+1), S2(pt2_N_teeth+1))
   edI = 0d0
   
   cp = 0d0
-  dot_f(:) = dress_dot_F(:)
+  dot_f(:dress_N_cp) = dress_dot_F(:)
-
+  dot_f(dress_N_cp+1) = 1
   zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
   more = 1
   m = 1
@@ -376,8 +379,8 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
   S2(:) = 0d0
   time0 = omp_get_wtime()
   more = 1
-  do while (m <= dress_N_cp)
+  do while (.not. found) !(m <= dress_N_cp)
-    if(more == 0 .and. dot_f(m) /= 0) exit
+    !if(more == 0 .and. dot_f(m) /= 0) exit
     if(dot_f(m) == 0) then
       E0 = 0
       do i=dress_dot_n_0(m),1,-1
@@ -400,23 +403,22 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
       eqt = sqrt(eqt / dble(c-1))
       error = eqt
       time = omp_get_wtime()
-      print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', c, avg+E0, eqt, time-time0, ''
+      print '(G10.3, 2X, F16.10, 2X, G16.3, 2X, F16.4, A20)', c, avg+E0+E(dress_stoch_istate), eqt, time-time0, ''
       m += 1
-      if(eqt <= 0d0*relative_error) then
+      if(eqt <= 1d0*relative_error) then
-        if (zmq_abort(zmq_to_qp_run_socket) == -1) then
+        found = .true.
-          call sleep(1)
-          if (zmq_abort(zmq_to_qp_run_socket) == -1) then
-            print *, irp_here, ': Error in sending abort signal (2)'
-          endif
-        endif
       end if
     else
       do
         call  pull_dress_results(zmq_socket_pull, m_task, f, edI_task, edI_index, breve_delta_m, task_id, n_tasks)
-        if(task_id == 0) exit
+        if(m_task == 0) then
           if (zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more) == -1) then
             stop 'Unable to delete tasks'
           endif
+        else
+          i= zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,1,more)
+          exit
+        end if
       end do
       do i=1,n_tasks
         edI(:, edI_index(i)) += edI_task(:, i) 
@@ -428,6 +430,21 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
     end if
   end do
   
+  if (zmq_abort(zmq_to_qp_run_socket) == -1) then
+    call sleep(1)
+    if (zmq_abort(zmq_to_qp_run_socket) == -1) then
+      print *, irp_here, ': Error in sending abort signal (2)'
+    endif
+  endif
+  
+  do while(more /= 0)
+    call  pull_dress_results(zmq_socket_pull, m_task, f, edI_task, edI_index, breve_delta_m, task_id, n_tasks)
+    if(m_task == 0) then
+      i = zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more)
+    else
+      i = zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,1,more)
+    end if
+  end do
   delta(:,:) = cp(:,:,m-1,1)
   delta_s2(:,:) = cp(:,:,m-1,2)
   dress(istate) = E(istate)+E0+avg

plugins/dress_zmq/run_dress_slave.irp.f

@@ -31,19 +31,17 @@ subroutine run_dress_slave(thread,iproce,energy)
   integer, allocatable :: f(:)
   integer :: cp_sent, cp_done
   integer :: cp_max(Nproc)
-  integer :: will_send, task_id
+  integer :: will_send, task_id, purge_task_id(dress_N_cp+1)
   integer(kind=OMP_LOCK_KIND) :: lck_det(0:pt2_N_teeth+1)
   integer(kind=OMP_LOCK_KIND) :: lck_sto(0:dress_N_cp+1), sending
   double precision :: fac
   
-  
   if(iproce /= 0) stop "RUN DRESS SLAVE is OMP"
   
   allocate(delta_det(N_states, N_det, 0:pt2_N_teeth+1, 2))
   allocate(cp(N_states, N_det, dress_N_cp, 2))
   allocate(edI(N_det_generators), f(N_det_generators))
   allocate(edI_index(N_det_generators), edI_task(N_det_generators))
-
   edI = 0d0
   f = 0
   delta_det = 0d0
@@ -64,7 +62,8 @@ subroutine run_dress_slave(thread,iproce,energy)
   will_send = 0
 
   double precision :: hij, sij, tmp
-  
+  logical :: purge
+  purge_task_id = 0
   hij = E0_denominator(1)  !PROVIDE BEFORE OMP PARALLEL
 
   !$OMP PARALLEL DEFAULT(SHARED) &
@@ -72,7 +71,6 @@ subroutine run_dress_slave(thread,iproce,energy)
   !$OMP PRIVATE(tmp,fac,m,l,t,sum_f,n_tasks) &
   !$OMP PRIVATE(i,p,will_send, i_generator, subset, iproc) &
   !$OMP PRIVATE(zmq_to_qp_run_socket, zmq_socket_push, worker_id)
-
   zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
   zmq_socket_push      = new_zmq_push_socket(thread)
   call connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread)
@@ -82,12 +80,11 @@ subroutine run_dress_slave(thread,iproce,energy)
     stop "WORKER -1"
   end if
   
-  
   iproc = omp_get_thread_num()+1
   allocate(breve_delta_m(N_states,N_det,2))
   
   
-  do while(m /= dress_N_cp+1)
+  do while(cp_done > cp_sent .or. m /= dress_N_cp+1)
     call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task)
     task = task//"  0"
     if(task_id /= 0) then
@@ -106,12 +103,16 @@ subroutine run_dress_slave(thread,iproce,energy)
       will_send = cp_sent + 1
       cp_sent = will_send
     end if
+    if(purge_task_id(m) == 0) then
+      purge_task_id(m) = task_id
+      task_id = 0
+    end if
     !$OMP END CRITICAL
     
     if(will_send /= 0) then
       breve_delta_m = 0d0
       
-      do l=1, will_send
+      do l=will_send, 1,-1
         breve_delta_m(:,:,1) += cp(:,:,l,1)
         breve_delta_m(:,:,2) += cp(:,:,l,2)
       end do
@@ -134,7 +135,10 @@ subroutine run_dress_slave(thread,iproce,energy)
           sum_f += f(i)
         end if
       end do
-      call push_dress_results(zmq_socket_push, will_send, sum_f, edI_task, edI_index, breve_delta_m, 0, n_tasks)
+      if(purge_task_id(will_send) /= 0) then
+      call push_dress_results(zmq_socket_push, will_send, sum_f, edI_task, edI_index, breve_delta_m, purge_task_id(will_send), n_tasks)
+      end if
+      purge_task_id(will_send) = 0
       call omp_unset_lock(sending)
     end if
     
@@ -172,9 +176,19 @@ subroutine run_dress_slave(thread,iproce,energy)
       !$OMP ATOMIC
       f(i_generator) += 1
       !push bidon
+      if(task_id /= 0) then
         call push_dress_results(zmq_socket_push, 0, 0, edI_task, edI_index, breve_delta_m, task_id, 1)
       end if
+    end if
   end do
+  !$OMP BARRIER
+  !$OMP SINGLE
+  do m=1,dress_N_cp
+    if(purge_task_id(m) /= 0) then
+      call push_dress_results(zmq_socket_push, 0, 0, edI_task, edI_index, breve_delta_m, purge_task_id(m), 1)
+    end if
+  end do
+  !$OMP END SINGLE
 
   call disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id)
   call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
@@ -217,8 +231,13 @@ subroutine push_dress_results(zmq_socket_push, m_task, f, edI_task, edI_index, b
     rc = f77_zmq_send( zmq_socket_push, edI_index, 4*n_tasks, ZMQ_SNDMORE)
     if(rc /= 4*n_tasks) stop "push6"
     
+    if(m_task /= 0) then
       rc = f77_zmq_send( zmq_socket_push, breve_delta_m, 8*N_det*N_states*2, 0)
       if(rc /= 8*N_det*N_states*2) stop "push6"
+    else
+      rc = f77_zmq_send( zmq_socket_push, breve_delta_m, 8, 0)
+      if(rc /= 8) stop "push6"
+    end if
 ! Activate is zmq_socket_pull is a REP
 IRP_IF ZMQ_PUSH
 IRP_ELSE
@@ -256,9 +275,13 @@ subroutine pull_dress_results(zmq_socket_pull, m_task, f, edI_task, edI_index, b
 
     rc = f77_zmq_recv( zmq_socket_pull, edI_index, 4*n_tasks, 0)
     if(rc /= 4*n_tasks) stop "pullc"
-
+    if(m_task /= 0) then
       rc = f77_zmq_recv( zmq_socket_pull, breve_delta_m, 8*N_det*N_states*2, 0)
       if(rc /= 8*N_det*N_states*2) stop "pullc"
+    else
+      rc = f77_zmq_recv( zmq_socket_pull, breve_delta_m, 8, 0)
+      if(rc /= 8) stop "pullc"
+    end if
 ! Activate is zmq_socket_pull is a REP
 IRP_IF ZMQ_PUSH
 IRP_ELSE