From 272482e8fa860fc6fd5d454aab6de6b2b7cd6c38 Mon Sep 17 00:00:00 2001
From: Yann Garniron <yann.garniron@yahoo.fr>
Date: Mon, 3 Oct 2016 10:42:47 +0200
Subject: [PATCH] miniserver when needed - untested

---
 src/Davidson/davidson_parallel.irp.f | 27 +++++++++++++++------------
 src/Davidson/u0Hu0.irp.f             |  8 +++++++-
 2 files changed, 22 insertions(+), 13 deletions(-)

diff --git a/src/Davidson/davidson_parallel.irp.f b/src/Davidson/davidson_parallel.irp.f
index 37bac8d2..0b4a84d8 100644
--- a/src/Davidson/davidson_parallel.irp.f
+++ b/src/Davidson/davidson_parallel.irp.f
@@ -22,7 +22,7 @@ subroutine davidson_process(block, N, idx, vt, st)
   vt = 0d0
   st = 0d0
   
-  N = N_det
+  N = dav_size ! N_det
   do i=1,N
     idx(i) = i
   end do
@@ -56,8 +56,8 @@ subroutine davidson_process(block, N, idx, vt, st)
           ext = ext + popcnt(xor(sorted_i(ni), sorted_(ni,j,1)))
         end do
         if(ext <= 4) then
-          call i_h_j (psi_det(1,1,org_j),psi_det(1,1,org_i),n_int,hij)
-          call get_s2(psi_det(1,1,org_j),psi_det(1,1,org_i),n_int,s2) 
+          call i_h_j (dav_det(1,1,org_j),dav_det(1,1,org_i),n_int,hij) ! psi_det
+          call get_s2(dav_det(1,1,org_j),dav_det(1,1,org_i),n_int,s2) 
           do istate=1,N_states
             vt (istate,org_i) = vt (istate,org_i) + hij*dav_ut(istate,org_j)
             vt (istate,org_j) = vt (istate,org_j) + hij*dav_ut(istate,org_i)
@@ -100,6 +100,7 @@ subroutine davidson_init(zmq_to_qp_run_socket)
   
   integer(ZMQ_PTR), intent(out) :: zmq_to_qp_run_socket ! zmq_to_qp_run_socket
   
+  touch dav_size dav_det dav_ut
   call new_parallel_job(zmq_to_qp_run_socket,'davidson')
 end subroutine
 
@@ -195,7 +196,7 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id)
   allocate(vt(N_states, N_det)) 
   allocate(st(N_states, N_det)) 
   
-  call hobo_get()
+  !call hobo_get()
   
   do
     call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task)
@@ -347,9 +348,9 @@ subroutine davidson_run(zmq_to_qp_run_socket , v0, s0)
       call davidson_collector(zmq_collector, zmq_socket_pull , v0, s0)
       call end_zmq_to_qp_run_socket(zmq_collector)
       call end_zmq_pull_socket(zmq_socket_pull)
-      call hobo_server_end()
+      call davidson_miniserver_end()
     else if(i==1) then
-      call hobo_server()
+      call davidson_miniserver_run()
     else
       call davidson_slave_inproc(i)
     endif
@@ -359,7 +360,7 @@ end subroutine
 
 
 
-subroutine hobo_server()
+subroutine davidson_miniserver_run()
   use f77_zmq
   implicit none
   integer(ZMQ_PTR)        context
@@ -378,9 +379,9 @@ subroutine hobo_server()
   do
     rc = f77_zmq_recv(responder, buffer, 5, 0)
     if (buffer(1:rc) /= 'end') then
-      rc = f77_zmq_send (responder, N_det, 4, ZMQ_SNDMORE)
-      rc = f77_zmq_send (responder, psi_det, 16*N_int*N_det, ZMQ_SNDMORE)
-      rc = f77_zmq_send (responder, ut, 8*N_det*N_states, 0)
+      rc = f77_zmq_send (responder, dav_size, 4, ZMQ_SNDMORE)
+      rc = f77_zmq_send (responder, dav_det, 16*N_int*N_det, ZMQ_SNDMORE)
+      rc = f77_zmq_send (responder, dav_ut, 8*N_det*N_states, 0)
     else
       rc = f77_zmq_send (responder, "end", 3, 0)
       exit
@@ -392,7 +393,7 @@ subroutine hobo_server()
 end subroutine
 
 
-subroutine hobo_server_end()
+subroutine davidson_miniserver_end()
   implicit none
   use f77_zmq
   
@@ -414,7 +415,7 @@ subroutine hobo_server_end()
 end subroutine
 
   
-subroutine hobo_get()
+subroutine davidson_miniserver_get()
   implicit none
   use f77_zmq
   
@@ -440,6 +441,8 @@ subroutine hobo_get()
   rc = f77_zmq_recv(requester, dav_ut, 8*dav_size*N_states, 0)
   rc = f77_zmq_close(requester)
   rc = f77_zmq_ctx_destroy(context)
+  
+  touch dav_det dav_ut
 end subroutine
 
 
diff --git a/src/Davidson/u0Hu0.irp.f b/src/Davidson/u0Hu0.irp.f
index f23c03bc..b4819067 100644
--- a/src/Davidson/u0Hu0.irp.f
+++ b/src/Davidson/u0Hu0.irp.f
@@ -227,6 +227,8 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
   v_0 = 0.d0
   s_0 = 0.d0
   
+  if(n /= N_det) stop "n /= N_det"
+  
   do i=1,n
     do istate=1,N_st
       ut(istate,i) =  u_0(i,istate)
@@ -234,7 +236,11 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
   enddo
   call sort_dets_ab_v(keys_tmp, sorted(1,1,1), sort_idx(1,1), shortcut(0,1), version(1,1,1), n, Nint)
   call sort_dets_ba_v(keys_tmp, sorted(1,1,2), sort_idx(1,2), shortcut(0,2), version(1,1,2), n, Nint)
-  
+    
+  dav_size = n
+  dav_det = psi_det
+  dav_ut = ut
+
   call davidson_init(handler)
 
   do sh=shortcut(0,1),1,-1