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Added Parallel.InterNode
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@ -44,13 +44,14 @@ let array_3_init d1 d2 d3 fx =
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done)
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;
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if Parallel.master then Printf.printf "Broadcast d3\n" ;
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Parallel.Node.broadcast (lazy result)
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Parallel.InterNode.broadcast (lazy result)
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let array_4_init d1 d2 d3 d4 fx =
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let f (k,l) =
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let x =
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Bigarray.(Array2.create Float64 fortran_layout d1 d2)
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in
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Printf.printf "Array 4: %d %d %d\n%!" Parallel.rank k l;
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for j=1 to d2 do
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for i=1 to d1 do
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x.{i,j} <- fx i j k l
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@ -76,13 +77,14 @@ let array_4_init d1 d2 d3 d4 fx =
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done)
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;
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if Parallel.master then Printf.printf "Broadcast d4\n" ;
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Parallel.Node.broadcast (lazy result)
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Parallel.InterNode.broadcast (lazy result)
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let array_5_init d1 d2 d3 d4 d5 fx =
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let f (l,m) =
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let x =
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Bigarray.(Array3.create Float64 fortran_layout d1 d2 d3)
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in
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Printf.printf "Array 5: %d %d %d\n%!" Parallel.rank l m;
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for k=1 to d3 do
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for j=1 to d2 do
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for i=1 to d1 do
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@ -113,7 +115,7 @@ let array_5_init d1 d2 d3 d4 d5 fx =
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;
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if Parallel.master then Printf.printf "Broadcast d5\n" ;
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try
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Parallel.Node.broadcast (lazy result)
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Parallel.InterNode.broadcast (lazy result)
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with Invalid_argument _ ->
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begin
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Printf.eprintf "Array too large... splitting.\n%!";
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@ -132,11 +134,11 @@ let array_5_init d1 d2 d3 d4 d5 fx =
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done
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done
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done;
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ignore @@ Parallel.Node.broadcast (lazy x)
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ignore @@ Parallel.InterNode.broadcast (lazy x)
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end
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else
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begin
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ignore @@ Parallel.Node.broadcast (lazy x);
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ignore @@ Parallel.InterNode.broadcast (lazy x);
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for l=1 to d4 do
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for k=1 to d3 do
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for j=1 to d2 do
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@ -671,9 +673,11 @@ let make ~simulation ~mo_basis ~aux_basis_filename () =
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h_one a i Spin.Alfa *. f_two a j k l Spin.Alfa Spin.Alfa +.
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h_one a j Spin.Alfa *. f_two i a k l Spin.Alfa Spin.Alfa +.
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h_two a l i j Spin.Alfa Spin.Alfa *. f_one a k Spin.Alfa +.
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h_two a k j i Spin.Alfa Spin.Alfa *. f_one a l Spin.Alfa +.
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h_two a k j i Spin.Alfa Spin.Alfa *. f_one a l Spin.Alfa ) +.
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sum mos_cabs (fun a ->
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sum mos_in (fun m -> -. h_two m a j i Spin.Alfa Spin.Alfa *.
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f_two m a k l Spin.Alfa Spin.Alfa) +.
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f_two m a k l Spin.Alfa Spin.Alfa) ) +.
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sum mos_cabs (fun a ->
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sum mos_cabs (fun b -> if b >= a then 0. else
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h_two b a j i Spin.Alfa Spin.Alfa *. f_two b a l k Spin.Alfa Spin.Alfa
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)
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@ -688,10 +692,12 @@ let make ~simulation ~mo_basis ~aux_basis_filename () =
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h_one a i Spin.Alfa *. f_two a j k l Spin.Alfa Spin.Beta +.
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h_one a j Spin.Alfa *. f_two a i l k Spin.Alfa Spin.Beta +.
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h_two a l i j Spin.Alfa Spin.Beta *. f_one a k Spin.Alfa +.
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h_two a k j i Spin.Alfa Spin.Beta *. f_one a l Spin.Alfa +.
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h_two a k j i Spin.Alfa Spin.Beta *. f_one a l Spin.Alfa ) +.
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sum mos_cabs (fun a ->
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sum mos_in (fun m ->
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h_two m a j i Spin.Alfa Spin.Beta *. f_two m a l k Spin.Alfa Spin.Beta +.
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h_two m a i j Spin.Alfa Spin.Beta *. f_two m a k l Spin.Alfa Spin.Beta ) +.
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h_two m a i j Spin.Alfa Spin.Beta *. f_two m a k l Spin.Alfa Spin.Beta ) ) +.
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sum mos_cabs (fun a ->
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sum mos_cabs (fun b ->
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h_two b a j i Spin.Alfa Spin.Beta *. f_two b a l k Spin.Alfa Spin.Beta
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)
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@ -88,6 +88,44 @@ module Node = struct
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end
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module InterNode = struct
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let comm =
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let rec aux accu name = function
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| [] -> List.rev accu
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| (newname, rank) :: rest when newname = name -> aux accu name rest
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| (newname, rank) :: rest -> aux (rank :: accu) newname rest
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in
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let name = Unix.gethostname () in
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Mpi.allgather (name, rank) Mpi.comm_world
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|> Array.to_list
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|> List.sort compare
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|> aux [] ""
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|> Array.of_list
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|> Mpi.(group_incl (comm_group comm_world))
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|> Mpi.(comm_create comm_world)
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let rank =
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Mpi.comm_rank comm
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let master = rank = 0
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let broadcast_generic broadcast x =
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let x =
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if master then Some (Lazy.force x)
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else None
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in
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match broadcast x 0 comm with
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| Some x -> x
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| None -> assert false
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let broadcast x = broadcast_generic Mpi.broadcast x
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let barrier () = Mpi.barrier comm
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end
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module Vec = struct
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type t =
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@ -57,7 +57,6 @@ module Node : sig
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end
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(*
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(** {5 Inter-node operations} *)
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module InterNode : sig
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@ -72,8 +71,10 @@ module InterNode : sig
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val broadcast : 'a lazy_t -> 'a
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(** Broadcasts data to all the processes of the inter-node communicator. *)
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val barrier : unit -> unit
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(** Wait for all processes among the node to reach this point. *)
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end
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*)
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(** {5 Vector operations} *)
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module Vec : sig
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@ -391,7 +391,7 @@ let to_list data =
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let broadcast t =
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t
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Parallel.InterNode.broadcast (lazy t)
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(*
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let size =
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Parallel.broadcast (lazy t.size)
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