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qmcchem
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Fixing walkers

This commit is contained in:
Anthony Scemama 2019-12-17 11:10:34 +01:00
parent 2cc2d713bc
commit 0485afda6f
1 changed files with 7 additions and 10 deletions
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17
ocaml/Qmcchem_dataserver.ml
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@ -218,7 +218,7 @@ let run ?(daemon=true) ezfio_filename =
(** Last time when the walkers were saved to disk. *)
let last_save_walkers =
ref (Unix.gettimeofday ())
ref 0.
in
@ -226,20 +226,20 @@ let run ?(daemon=true) ezfio_filename =
let save_walkers () =
if (delta_t !last_save_walkers > 10. ) then
begin
let t0 =
Unix.gettimeofday ()
in
Ezfio.set_electrons_elec_coord_pool_size walk_num_tot ;
let walkers_list =
Array.map Array.to_list walkers_array
Array.map Array.to_list walkers_array
|> Array.to_list
|> List.concat
|> List.map float_of_string
in
Ezfio.set_electrons_elec_coord_pool (Ezfio.ezfio_array_of_list
~rank:3 ~dim:[| elec_num+1 ; 3 ; walk_num_tot |] ~data:walkers_list);
let t0 =
Unix.gettimeofday ()
in
send_log "status" walk_num_tot t0 "Saved walkers";
last_save_walkers := Unix.gettimeofday ();
last_save_walkers := t0 ;
end
in
@ -737,10 +737,6 @@ let run ?(daemon=true) ezfio_filename =
recv_log log_msg ;
for i=0 to ((Array.length w)-1)
do
(*
Array.replace walkers_array (!last_walker) (fun _ -> Array.map
string_of_float w.(i));
*)
walkers_array.(!last_walker) <- Array.map string_of_float w.(i);
increment_last_walker ();
done;
@ -776,6 +772,7 @@ let run ?(daemon=true) ezfio_filename =
in handle msg
in
save_walkers ();
(* Main loop *)
while (!status <> Status.Stopped)
do