unbalanced fragmentation

plugins/dress_zmq/alpha_factory.irp.f

@@ -70,6 +70,7 @@ subroutine generate_singles_and_doubles(delta_ij_loc, i_generator, bitmask_index
   allocate(preinteresting_det(N_int,2,N_det))
   
   
+  maskInd = -1
     
   monoAdo = .true.
   monoBdo = .true.
@@ -192,7 +193,6 @@ subroutine generate_singles_and_doubles(delta_ij_loc, i_generator, bitmask_index
   allocate(counted(mo_tot_num, mo_tot_num), countedOrb(mo_tot_num, 2))
   allocate (indexes(0:mo_tot_num, 0:mo_tot_num))
   allocate (indexes_end(0:mo_tot_num, 0:mo_tot_num))
-  maskInd = -1
   integer :: nb_count
   do s1=1,2
     do i1=N_holes(s1),1,-1   ! Generate low excitations first

plugins/dress_zmq/dress_stoch_routines.irp.f

@@ -9,14 +9,14 @@ END_PROVIDER
 &BEGIN_PROVIDER [ integer, pt2_F, (N_det_generators) ]
   implicit none
   pt2_F(:) = 1
-  pt2_F(:N_det_generators/100+1) = 5
+  !pt2_F(:N_det_generators/1000*0+50) = 1
   pt2_n_tasks_max = N_det_generators/100 + 1
   
   if(N_det_generators < 256) then
     pt2_minDetInFirstTeeth = 1
     pt2_N_teeth = 1
   else
-    pt2_minDetInFirstTeeth = 5
+    pt2_minDetInFirstTeeth = min(5, N_det_generators)
     pt2_N_teeth = 16
   end if
 END_PROVIDER
@@ -24,7 +24,7 @@ END_PROVIDER
 
 
 BEGIN_PROVIDER[ integer, dress_N_cp_max ]
-  dress_N_cp_max = 100
+  dress_N_cp_max = 32
 END_PROVIDER
 
  BEGIN_PROVIDER[integer, pt2_J, (N_det_generators)]
@@ -79,10 +79,19 @@ END_PROVIDER
   N_c = 0
   N_j = pt2_n_0(1)
   d(:) = .false.
-
+  
+  U = min(1, N_det_generators/(dress_N_cp_max**2/2))
   do i=1,dress_N_cp_max-1
-    dress_M_m(i) = N_det_generators * i / (dress_N_cp_max+1)
+    dress_M_m(i) = U * ((i**2-i)/2)! / (dress_N_cp_max+1)
   end do
+
+  
+  
+  U = N_det_generators/((dress_N_cp_max**2+dress_N_cp_max)/2)+1
+  do i=1, dress_N_cp_max
+    dress_M_m(i) = U * (((i*i)+i)/2)
+  end do
+
   dress_M_m(1) = 1
   dress_M_m(dress_N_cp_max) = N_det_generators+1
 
@@ -144,7 +153,6 @@ END_PROVIDER
     end do
   end do
   !!!!!!!!!!!!!
-  
 END_PROVIDER
 
 

plugins/dress_zmq/run_dress_slave.irp.f

@@ -37,7 +37,9 @@ subroutine run_dress_slave(thread,iproce,energy)
   double precision :: fac
   double precision :: ending(1)
   integer, external :: zmq_get_dvector
-      
+! double precision, external :: omp_get_wtime
+double precision :: time, time0
+
   if(iproce /= 0) stop "RUN DRESS SLAVE is OMP"
   
   allocate(delta_det(N_states, N_det, 0:pt2_N_teeth+1, 2))
@@ -71,7 +73,8 @@ subroutine run_dress_slave(thread,iproce,energy)
   !$OMP PRIVATE(breve_delta_m, task, task_id) &
   !$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)
+  !$OMP PRIVATE(zmq_to_qp_run_socket, zmq_socket_push, worker_id) &
+  !$OMP PRIVATE(time, time0)
   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)
@@ -80,7 +83,6 @@ subroutine run_dress_slave(thread,iproce,energy)
     call end_zmq_push_socket(zmq_socket_push,thread)
     stop "WORKER -1"
   end if
-  
   iproc = omp_get_thread_num()+1
   allocate(breve_delta_m(N_states,N_det,2))
   
@@ -132,9 +134,10 @@ subroutine run_dress_slave(thread,iproce,energy)
 
       breve_delta_m(:,:,:) = 0d0
       call generator_start(i_generator, iproc)
-
+      time0 = omp_get_wtime()
-      call alpha_callback(breve_delta_m, i_generator, subset, pt2_F(i_generator)*0 + 1, iproc)
+      call alpha_callback(breve_delta_m, i_generator, subset, pt2_F(i_generator), iproc)
-      
+      time = omp_get_wtime()
+      !print '(I0.11, I4, A12, F12.3)', i_generator, subset, "GREPMETIME", time-time0
       t = dress_T(i_generator)
     
       call omp_set_lock(lck_det(t))