Merge branch 'develop' of github.com:scemama/qmcchem into develop

Conflicts:
	ocaml/Qmcchem_dataserver.ml

ocaml/Qmcchem_dataserver.ml

@@ -18,6 +18,7 @@ let initialization_timeout = 600.
 let bind_socket ~socket_type ~socket ~address =
   try
     ZMQ.Socket.bind socket address
+
   with 
   | Unix.Unix_error (_, message, f) -> 
     failwith @@ Printf.sprintf 
@@ -42,7 +43,6 @@ let run ?(daemon=true) ezfio_filename =
         end ;
   in
 
-
   (** Measures the time difference between [t0] and [Time.now ()] *)
   let delta_t t0 =
     let t1 =

src/SAMPLING/reconfigure.irp.f

@@ -11,7 +11,6 @@ subroutine reconfigure(ipos,w)
   
   tmp = 0.d0
   do k=1,walk_num
-    ipos(k) = k
     tmp = tmp + w(k)
   enddo
   dwalk_num = dble(walk_num)/tmp

src/SAMPLING/srmc_step.irp.f

@@ -286,6 +286,10 @@ END_SHELL
 ! Reconfiguration
   integer :: ipos(walk_num)
 
+  do k=1,walk_num
+    ipos(k) = k
+  enddo
+  call dsort(srmc_weight,ipos,walk_num)
   call reconfigure(ipos,srmc_weight)
    
   do k=1,walk_num

src/ZMQ/sockets.irp.f

@@ -67,13 +67,14 @@ BEGIN_PROVIDER [ integer(ZMQ_PTR), zmq_to_dataserver_socket ]
  if (rc /= 0) then
    call abrt(irp_here, 'Unable to connect zmq_to_dataserver_socket')
  endif
- integer                        :: i
+ integer                        :: i,j
  i=4
- rc = f77_zmq_setsockopt(zmq_to_dataserver_socket, ZMQ_SNDTIMEO, 600000, i)
+ j=600000
+ rc = f77_zmq_setsockopt(zmq_to_dataserver_socket, ZMQ_SNDTIMEO, j, i)
  if (rc /= 0) then
    call abrt(irp_here, 'Unable to set send timout in zmq_to_dataserver_socket')
  endif
- rc = f77_zmq_setsockopt(zmq_to_dataserver_socket, ZMQ_RCVTIMEO, 600000, i)
+ rc = f77_zmq_setsockopt(zmq_to_dataserver_socket, ZMQ_RCVTIMEO, j, i)
  if (rc /= 0) then
    call abrt(irp_here, 'Unable to set recv timout in zmq_to_dataserver_socket')
  endif
@@ -103,12 +104,13 @@ BEGIN_PROVIDER [ integer(ZMQ_PTR), zmq_socket_push ]
  BEGIN_DOC
  ! Socket on which to push the results
  END_DOC
- integer                        :: rc
+ integer                        :: rc,j
  character*(64)                 :: address
  character*(8), external        :: zmq_port
  zmq_socket_push = f77_zmq_socket(zmq_context, ZMQ_PUSH)
  address = trim(dataserver_address)//':'//zmq_port(2)
- rc = f77_zmq_setsockopt(zmq_socket_push,ZMQ_LINGER,600000,4)
+ j=600000
+ rc = f77_zmq_setsockopt(zmq_socket_push,ZMQ_LINGER,j,4)
  rc = f77_zmq_connect(zmq_socket_push, trim(address))
  if (rc /= 0) then
    call abrt(irp_here, 'Unable to connect zmq_socket_push')