custom buffers in dress_zmq

plugins/dress_zmq/dress_stoch_routines.irp.f

@@ -163,10 +163,14 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
   integer, allocatable :: parts_to_get(:)
   logical, allocatable :: actually_computed(:)
   integer :: total_computed
-  integer :: delta_loc_cur, is
+  integer :: delta_loc_cur, is, N_buf(3)
   double precision :: fac(delta_loc_N) , wei(delta_loc_N)
   logical :: ok
+  integer, allocatable :: int_buf(:)
+  double precision, allocatable :: double_buf(:)
+  integer(bit_kind), allocatable :: det_buf(:,:,:)
 
+  allocate(int_buf(N_dress_int_buffer), double_buf(N_dress_double_buffer),det_buf(N_int,2,N_dress_det_buffer))
   delta_loc_cur = 1
 
   delta = 0d0
@@ -206,7 +210,8 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
   loop = .true.
   felem = N_det+1
   pullLoop : do while (loop)
-    call pull_dress_results(zmq_socket_pull, ind, delta_loc(1,1,1,delta_loc_cur), task_id, felem_loc)
+    call pull_dress_results(zmq_socket_pull, ind, delta_loc(1,1,1,delta_loc_cur), int_buf, double_buf, det_buf, N_buf, task_id, felem_loc)
+    call dress_pulled(int_buf, double_buf, det_buf, N_buf) 
     felem = min(felem_loc, felem)
     dress_mwen(:) = 0d0
  
@@ -449,6 +454,7 @@ END_PROVIDER
   done_cp_at = 0
   comp_filler = .false.
   computed = .false.
+  cps_N = 1d0
 
   N_dress_jobs = first_det_of_comb - 1
   do i=1, N_dress_jobs

plugins/dress_zmq/run_dress_slave.irp.f

@@ -1,3 +1,5 @@
+use bitmasks
+
 BEGIN_PROVIDER [ integer, fragment_count ]
   implicit none
   BEGIN_DOC
@@ -54,7 +56,7 @@ subroutine run_dress_slave(thread,iproc,energy)
       read (task,*) subset, i_generator
       delta_ij_loc = 0d0
       call alpha_callback(delta_ij_loc, i_generator, subset, iproc)
-
+      call generator_done(i_generator)
       call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id)
       call push_dress_results(zmq_socket_push, i_generator, delta_ij_loc, task_id)
     else
@@ -67,6 +69,17 @@ subroutine run_dress_slave(thread,iproc,energy)
 end subroutine
 
 
+ BEGIN_PROVIDER [ integer, dress_int_buffer, (N_dress_int_buffer) ]
+&BEGIN_PROVIDER [ double precision, dress_double_buffer, (N_dress_double_buffer) ]
+&BEGIN_PROVIDER [ integer(bit_kind), dress_det_buffer, (N_int, 2, N_dress_det_buffer) ]
+  implicit none
+  
+  dress_int_buffer = 0
+  dress_double_buffer = 0d0
+  dress_det_buffer = 0_bit_kind
+END_PROVIDER
+
+
 subroutine push_dress_results(zmq_socket_push, ind, delta_loc, task_id)
   use f77_zmq
   implicit none
@@ -99,6 +112,29 @@ subroutine push_dress_results(zmq_socket_push, ind, delta_loc, task_id)
   rc = f77_zmq_send( zmq_socket_push, delta_loc(1,felem,2), 8*N_states*(N_det-felem+1), ZMQ_SNDMORE)
   if(rc /= 8*N_states*(N_det+1-felem)) stop "push"
   
+ 
+ 
+
+  rc = f77_zmq_send( zmq_socket_push, N_dress_int_buffer, 4, ZMQ_SNDMORE)
+  if(rc /= 4) stop "push" 
+  
+  rc = f77_zmq_send( zmq_socket_push, dress_int_buffer, 4*N_dress_int_buffer, ZMQ_SNDMORE)
+  if(rc /= 4*N_dress_int_buffer) stop "push"
+
+  rc = f77_zmq_send( zmq_socket_push, N_dress_double_buffer, 4, ZMQ_SNDMORE)
+  if(rc /= 4) stop "push" 
+  
+  rc = f77_zmq_send( zmq_socket_push, dress_double_buffer, 8*N_dress_double_buffer, ZMQ_SNDMORE)
+  if(rc /= 8*N_dress_double_buffer) stop "push"
+ 
+
+  rc = f77_zmq_send( zmq_socket_push, N_dress_det_buffer, 4, ZMQ_SNDMORE)
+  if(rc /= 4) stop "push" 
+  
+  rc = f77_zmq_send( zmq_socket_push, dress_det_buffer, 2*N_int*bit_kind*N_dress_det_buffer, ZMQ_SNDMORE)
+  if(rc /= 2*N_int*bit_kind*N_dress_det_buffer) stop "push"
+ 
+
   rc = f77_zmq_send( zmq_socket_push, task_id, 4, 0)
   if(rc /= 4) stop "push"
 
@@ -112,15 +148,19 @@ IRP_ENDIF
 end subroutine
 
 
-subroutine pull_dress_results(zmq_socket_pull, ind, delta_loc, task_id, felem)
+subroutine pull_dress_results(zmq_socket_pull, ind, delta_loc, int_buf, double_buf, det_buf, N_buf, task_id, felem)
   use f77_zmq
   implicit none
   integer(ZMQ_PTR), intent(in)   :: zmq_socket_pull
   double precision, intent(inout) :: delta_loc(N_states, N_det, 2)
+  double precision, intent(out) :: double_buf(*)
+  integer, intent(out) :: int_buf(*)
+  integer(bit_kind), intent(out) :: det_buf(N_int, 2, *)
   integer, intent(out) :: felem
   integer, intent(out) :: ind
   integer, intent(out) :: task_id
   integer :: rc, i
+  integer, intent(out) :: N_buf(3)
 
 
   rc = f77_zmq_recv( zmq_socket_pull, ind, 4, 0)
@@ -137,6 +177,34 @@ subroutine pull_dress_results(zmq_socket_pull, ind, delta_loc, task_id, felem)
   rc = f77_zmq_recv( zmq_socket_pull, delta_loc(1,felem,2), N_states*8*(N_det+1-felem), 0)
   if(rc /= 8*N_states*(N_det+1-felem)) stop "pull"
 
+
+  rc = f77_zmq_recv( zmq_socket_pull, N_buf(1), 4, 0)
+  if(rc /= 4) stop "pull" 
+  if(N_buf(1) > N_dress_int_buffer) stop "run_dress_slave N_buf bad size?"
+
+  
+  rc = f77_zmq_recv( zmq_socket_pull, int_buf, 4*N_buf(1), 0)
+  if(rc /= 4*N_buf(1)) stop "pull1"
+
+
+  rc = f77_zmq_recv( zmq_socket_pull, N_buf(2), 4, 0)
+  if(rc /= 4) stop "pull" 
+  if(N_buf(2) > N_dress_double_buffer) stop "run_dress_slave N_buf bad size?"
+  
+  rc = f77_zmq_recv( zmq_socket_pull, double_buf, 8*N_buf(2), 0)
+  if(rc /= 8*N_buf(2)) stop "pull2"
+  
+
+
+
+  rc = f77_zmq_recv( zmq_socket_pull, N_buf(3), 4, 0)
+  if(rc /= 4) stop "pull" 
+  if(N_buf(3) > N_dress_det_buffer) stop "run_dress_slave N_buf bad size?"
+  
+  rc = f77_zmq_recv( zmq_socket_pull, det_buf, 2*N_int*bit_kind*N_buf(3), 0)
+  if(rc /= 2*N_int*bit_kind*N_buf(3)) stop "pull3"
+ 
+
   rc = f77_zmq_recv( zmq_socket_pull, task_id, 4, 0)
   if(rc /= 4) stop "pull"
 

plugins/shiftedbk/shifted_bk_routines.irp.f

@@ -1,5 +1,16 @@
 use selection_types
 
+
+ BEGIN_PROVIDER [ integer, N_dress_int_buffer ]
+&BEGIN_PROVIDER [ integer, N_dress_double_buffer ]
+&BEGIN_PROVIDER [ integer, N_dress_det_buffer ]
+  implicit none
+  N_dress_int_buffer = 1
+  N_dress_double_buffer = 1
+  N_dress_det_buffer = 1
+END_PROVIDER
+
+
  BEGIN_PROVIDER [ double precision, fock_diag_tmp_, (2,mo_tot_num+1,Nproc) ]
 &BEGIN_PROVIDER [ integer, current_generator_, (Nproc) ]
 &BEGIN_PROVIDER [ double precision, a_h_i, (N_det, Nproc) ]
@@ -21,6 +32,24 @@ use selection_types
   a_s2_i = 0d0
  END_PROVIDER
 
+subroutine generator_done(i_gen)
+  implicit none
+  integer, intent(in) :: i_gen
+  
+  !dress_int_buffer = ...
+end subroutine
+
+
+subroutine dress_pulled(int_buf, double_buf, det_buf, N_buf)
+  use bitmasks
+  implicit none
+  
+  integer, intent(in) :: N_buf(3)
+  integer, intent(in) :: int_buf(*)
+  double precision, intent(in) :: double_buf(*)
+  integer(bit_kind), intent(in) :: det_buf(N_int,2,*)
+
+end subroutine
 
 
 subroutine delta_ij_done()