Forgot file

src/Integrals_Bielec/ao_bielec_integrals_in_map_slave.irp.f

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+subroutine ao_bielec_integrals_in_map_slave
+  use map_module
+  use f77_zmq
+  implicit none
+  BEGIN_DOC
+! Computes a buffer of integrals
+  END_DOC
+
+  integer                        :: j,l,n_integrals
+  integer                        :: rc
+  character*(8), external        :: zmq_port
+  integer(ZMQ_PTR)               :: zmq_socket_req_inproc, zmq_socket_push_inproc
+  real(integral_kind), allocatable :: buffer_value(:)
+  integer(key_kind), allocatable :: buffer_i(:)
+
+  allocate ( buffer_i(ao_num*ao_num), buffer_value(ao_num*ao_num) )
+
+  ! Sockets
+  zmq_socket_req_inproc = f77_zmq_socket(zmq_context, ZMQ_REQ)
+  rc = f77_zmq_connect(zmq_socket_req_inproc, 'inproc://req_rep')
+  if (rc /= 0) then
+    stop 'Unable to connect zmq_socket_req_inproc'
+  endif
+
+  zmq_socket_push_inproc = f77_zmq_socket(zmq_context, ZMQ_PUSH)
+  rc = f77_zmq_connect(zmq_socket_push_inproc, 'inproc://push_pull')
+  if (rc /= 0) then
+    stop 'Unable to connect zmq_socket_push_inproc'
+  endif
+
+
+
+  rc = f77_zmq_send( zmq_socket_req_inproc, 'get_ao_integrals', 16, 0)
+  rc = f77_zmq_recv( zmq_socket_req_inproc, l, 4, 0)
+
+  do while (l > 0) 
+    rc = f77_zmq_send( zmq_socket_req_inproc, 'get_ao_integrals', 16, 0)
+
+    do j = 1, l
+      if (ao_overlap_abs(j,l) < ao_integrals_threshold) then
+        cycle
+      endif
+      call compute_ao_integrals_jl(j,l,n_integrals,buffer_i,buffer_value) 
+      rc = f77_zmq_send( zmq_socket_push_inproc, n_integrals, 4, ZMQ_SNDMORE)
+      rc = f77_zmq_send( zmq_socket_push_inproc, buffer_i, key_kind*n_integrals, ZMQ_SNDMORE)
+      rc = f77_zmq_send( zmq_socket_push_inproc, buffer_value, integral_kind*n_integrals, 0)
+    enddo
+    rc = f77_zmq_recv( zmq_socket_req_inproc, l, 4, 0)
+  enddo
+
+  deallocate( buffer_i, buffer_value )
+
+  rc = f77_zmq_disconnect(zmq_socket_req_inproc, 'inproc://req_rep')
+end
+
+
+subroutine ao_bielec_integrals_in_map_collector
+  use map_module
+  use f77_zmq
+  implicit none
+  BEGIN_DOC
+! Collects results from the AO integral calculation
+  END_DOC
+
+  integer                        :: j,l,n_integrals
+  integer                        :: rc
+  character*(8), external        :: zmq_port
+  integer(ZMQ_PTR)               :: zmq_socket_pull_inproc
+  real(integral_kind), allocatable :: buffer_value(:)
+  integer(key_kind), allocatable :: buffer_i(:)
+
+  allocate ( buffer_i(ao_num*ao_num), buffer_value(ao_num*ao_num) )
+
+  zmq_socket_pull_inproc = f77_zmq_socket(zmq_context, ZMQ_PULL)
+  rc = f77_zmq_bind(zmq_socket_pull_inproc, 'inproc://push_pull')
+  if (rc /= 0) then
+    stop 'Unable to connect zmq_socket_pull_inproc'
+  endif
+
+  n_integrals = 0
+  do while (n_integrals >= 0)
+    
+    rc = f77_zmq_recv( zmq_socket_pull_inproc, n_integrals, 4, 0)
+    if (n_integrals > -1) then
+      rc = f77_zmq_recv( zmq_socket_pull_inproc, buffer_i, key_kind*n_integrals, 0)
+      rc = f77_zmq_recv( zmq_socket_pull_inproc, buffer_value, integral_kind*n_integrals, 0)
+      call insert_into_ao_integrals_map(n_integrals,buffer_i,buffer_value)
+    else
+      rc = f77_zmq_recv( zmq_socket_pull_inproc, buffer_i, key_kind, 0)
+      rc = f77_zmq_recv( zmq_socket_pull_inproc, buffer_value, integral_kind, 0)
+    endif
+
+  enddo
+
+  rc = f77_zmq_unbind(zmq_socket_pull_inproc, 'inproc://push_pull')
+
+  deallocate( buffer_i, buffer_value )
+end
+