corrected ZMQ bug - removed stack array

src/Davidson/davidson_parallel.irp.f

@@ -18,9 +18,9 @@ subroutine davidson_process(blockb, blocke, N, idx, vt, st)
   integer :: i, j, sh, sh2, exa, ext, org_i, org_j, istate, ni, endi
   integer(bit_kind) :: sorted_i(N_int)
   double precision :: s2, hij
-  logical :: wrotten(dav_size)
+  logical, allocatable :: wrotten(:)
-  
   
+  allocate(wrotten(dav_size))
   wrotten = .false.
 
   do sh = blockb, blocke
@@ -51,7 +51,7 @@ subroutine davidson_process(blockb, blocke, 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 (dav_det(1,1,org_j),dav_det(1,1,org_i),n_int,hij) ! psi_det
+          call i_h_j (dav_det(1,1,org_j),dav_det(1,1,org_i),n_int,hij)
           call get_s2(dav_det(1,1,org_j),dav_det(1,1,org_i),n_int,s2) 
           if(.not. wrotten(org_i)) then
             wrotten(org_i) = .true.
@@ -116,7 +116,7 @@ subroutine davidson_init(zmq_to_qp_run_socket)
   use f77_zmq
   implicit none
   
-  integer(ZMQ_PTR), intent(out) :: zmq_to_qp_run_socket ! zmq_to_qp_run_socket
+  integer(ZMQ_PTR), intent(out) :: zmq_to_qp_run_socket
   
   touch dav_size dav_det dav_ut
   call new_parallel_job(zmq_to_qp_run_socket,"davidson")
@@ -184,8 +184,6 @@ subroutine davidson_run_slave(thread,iproc)
   end if
   
   call davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, worker_id)
-!   print *, "done slavin'"
-  !call sleep(1)
   call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id)
   call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
   call end_zmq_push_socket(zmq_socket_push,thread)
@@ -444,7 +442,6 @@ subroutine davidson_miniserver_end()
   rc = f77_zmq_recv(requester, buf, 3, 0)
   rc = f77_zmq_close(requester)
   rc = f77_zmq_ctx_destroy(context)
-!   print *, "closed miniserver"
 end subroutine
 
   

src/Davidson/u0Hu0.irp.f

@@ -249,7 +249,7 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
   call davidson_init(handler)
   do sh=shortcut(0,1),1,-1
     workload += (shortcut(sh+1,1) - shortcut(sh,1))**2
-    if(workload > 1000) then
+    if(workload > 10000) then
       blocke = sh
       call davidson_add_task(handler, blocke, blockb)
       blockb = sh-1

src/ZMQ/utils.irp.f

@@ -473,26 +473,6 @@ subroutine end_zmq_push_socket(zmq_socket_push,thread)
   integer                        :: rc
   character*(8), external        :: zmq_port
   
-  if (thread == 1) then
-    rc = f77_zmq_disconnect(zmq_socket_push,zmq_socket_push_inproc_address)
-!    if (rc /= 0) then
-!      print *,  'f77_zmq_disconnect(zmq_socket_push,zmq_socket_push_inproc_address)'
-!      stop 'error'
-!    endif
-  else
-    rc = f77_zmq_disconnect(zmq_socket_push,zmq_socket_push_tcp_address)
-    if (rc /= 0) then
-      print *,  'f77_zmq_disconnect(zmq_socket_push,zmq_socket_push_tcp_address)'
-      stop 'error'
-    endif
-  endif
-
-  
-!  rc = f77_zmq_setsockopt(zmq_socket_push,ZMQ_LINGER,20000,4)
-!  if (rc /= 0) then
-!    stop 'Unable to set ZMQ_LINGER on push socket'
-!  endif
-
   rc = f77_zmq_close(zmq_socket_push)
   if (rc /= 0) then
     print *,  'f77_zmq_close(zmq_socket_push)'