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Random init of Walkers accelerated in OCaml

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This commit is contained in:
Anthony Scemama 2016-01-09 02:55:54 +01:00
parent 55d51c3666
commit 8dfdf8a2b3
1 changed files with 10 additions and 7 deletions
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17
ocaml/Qmcchem_dataserver.ml
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@ -192,6 +192,7 @@ let run ?(daemon=true) ezfio_filename =
and ez = and ez =
Ezfio.get_electrons_elec_coord_pool () Ezfio.get_electrons_elec_coord_pool ()
|> Ezfio.flattened_ezfio |> Ezfio.flattened_ezfio
|> Array.map ~f:Float.to_string
in in
try try
Array.init walk_num_tot ~f:(fun i -> Array.init walk_num_tot ~f:(fun i ->
@ -231,6 +232,7 @@ let run ?(daemon=true) ezfio_filename =
Array.map walkers_array ~f:Array.to_list Array.map walkers_array ~f:Array.to_list
|> Array.to_list |> Array.to_list
|> List.concat |> List.concat
|> List.map ~f:Float.of_string
in in
Ezfio.set_electrons_elec_coord_pool (Ezfio.ezfio_array_of_list Ezfio.set_electrons_elec_coord_pool (Ezfio.ezfio_array_of_list
~rank:3 ~dim:[| elec_num+1 ; 3 ; walk_num_tot |] ~data:walkers_list); ~rank:3 ~dim:[| elec_num+1 ; 3 ; walk_num_tot |] ~data:walkers_list);
@ -536,14 +538,14 @@ let run ?(daemon=true) ezfio_filename =
let random_int = let random_int =
Random.int (Strictly_positive_int.to_int n_walks) Random.int (Strictly_positive_int.to_int n_walks)
in in
(Array.to_list (walkers_array.(random_int)) ) :: (walkers accu (n-1)) let new_accu =
walkers_array.(random_int) :: accu
in
walkers new_accu (n-1)
in in
walkers [] (Strictly_positive_int.to_int n_walks) walkers [] (Strictly_positive_int.to_int n_walks)
|> List.concat |> Array.concat
|> List.map ~f:(fun x-> Printf.sprintf "%20.14f" x) |> Array.to_list
(*
|> List.map ~f:Float.to_string
*)
in in
let start_main_thread = let start_main_thread =
@ -727,7 +729,8 @@ let run ?(daemon=true) ezfio_filename =
recv_log log_msg ; recv_log log_msg ;
for i=0 to ((Array.length w)-1) for i=0 to ((Array.length w)-1)
do do
Array.replace walkers_array (!last_walker) (fun _ -> w.(i)); Array.replace walkers_array (!last_walker) (fun _ -> Array.map
~f:Float.to_string w.(i));
increment_last_walker (); increment_last_walker ();
done; done;
let wall = let wall =