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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-11-06 22:23:39 +01:00

Removing core

This commit is contained in:
Anthony Scemama 2019-07-17 19:10:22 +02:00
parent 16acf1fe89
commit 4c870cb62b

View File

@ -73,6 +73,21 @@ end = struct
end
let hashtbl_to_alist table =
Hashtbl.fold (fun k v a -> (k,v) :: a) table []
let hashtbl_change table key f =
let elt =
try
Some (Hashtbl.find table key)
with
| Not_found -> None
in
let new_elt = f elt in
match new_elt with
| None -> Hashtbl.remove table key
| Some value -> Hashtbl.replace table key value
(** Build from raw data. Range values are given in percent. *)
let of_raw_data ?(locked=true) ~range property =
@ -260,7 +275,7 @@ let fold_blocks ~f { property ; data } =
let block = List.hd data in
Sample.to_float block.Block.value
with
| Failure "hd" -> 0.
| Failure _ -> 0.
in
List.fold_left (fun accu block ->
let x = Sample.to_float block.Block.value
@ -347,13 +362,13 @@ let max_block =
let create_hash ~create_key ?(update_block_id=(fun x->x))
?(update_value=(fun wc vc wb vb sw -> (wc *. vc +. wb *. vb) /. sw) )
?(update_weight=(fun wc wb -> wc +. wb) ) t =
let table = String.Table.create ()
let table = Hashtbl.create 63
in
List.iter t.data ~f:(fun block ->
List.iter (fun block ->
let key = create_key block
in
let open Block in
Hashtbl.change table key (function
hashtbl_change table key (function
| Some current ->
let wc, wb =
Weight.to_float current.weight,
@ -384,7 +399,7 @@ let create_hash ~create_key ?(update_block_id=(fun x->x))
{ property = current.property ;
weight = Weight.of_float sw ;
value =
Array.init dim ~f:(fun i -> update_value wc vc.(i) wb vb.(i) sw)
Array.init dim (fun i -> update_value wc vc.(i) wb vb.(i) sw)
|> Sample.of_float_array ~dim ;
block_id = update_block_id block.block_id;
pid = block.pid ;
@ -399,7 +414,7 @@ let create_hash ~create_key ?(update_block_id=(fun x->x))
compute_node = block.compute_node;
}
)
);
) t.data ;
table
@ -409,12 +424,12 @@ let merge ~create_key ?update_block_id ?update_value ?update_weight t =
let table = create_hash ~create_key ?update_block_id ?update_value ?update_weight t
in
{ property = t.property ;
data = Hashtbl.to_alist table
|> List.sort ~cmp:(fun x y ->
data = hashtbl_to_alist table
|> List.sort (fun x y ->
if (x>y) then 1
else if (x<y) then -1
else 0)
|> List.map ~f:(fun (x,y) -> y)
|> List.map (fun (x,y) -> y)
}
@ -440,7 +455,7 @@ let merge_per_compute_node_and_pid =
~create_key:(fun block ->
Printf.sprintf "%s %10.10d"
(Compute_node.to_string block.Block.compute_node)
(Pid.to_int block.Block.pid) )
(block.Block.pid) )
@ -453,9 +468,9 @@ let merge_per_compute_node_and_block_id =
(Block_id.to_int block.Block.block_id) )
let error_x_over_y = function
| [] -> (Average.of_float 0., None)
| (x,_)::[] -> (Average.of_float x, None)
| (x,w)::tail ->
| [] -> (Average.of_float 0., None)
| (x,_)::[] -> (Average.of_float x , None)
| (x,w)::tail ->
begin
let avcu0 = ref 0.
and ansum = ref w
@ -466,7 +481,7 @@ let error_x_over_y = function
in
let avcu = ref !avbl
in
List.iter tail ~f:(fun (x,w) ->
List.iter (fun (x,w) ->
avcu0 := !avsum /. !ansum;
ansum := !ansum +. w;
avsum := !avsum +. x;
@ -476,7 +491,7 @@ let error_x_over_y = function
else ();
avsq := !avsq +. (1. -. w /. !ansum) *. (!avbl -. !avcu0) *. (!avbl -. !avcu0) *. w;
n := !n +. 1.
);
) tail ;
let arg =
abs_float (!avsq /.(!ansum *. (!n -. 1.)))
in
@ -490,7 +505,7 @@ let error_x_over_y = function
(** Create float, variable operators *)
let one_variable_operator ~update_value p f =
{ p with
data = List.map ~f:(fun b -> { b with
data = List.map (fun b -> { b with
Block.value = Sample.of_float (update_value (Sample.to_float b.Block.value) ) }
) p.data }
@ -515,7 +530,7 @@ let two_variable_operator ~update_value p1 p2 =
Printf.sprintf "%s %10.10d %10.10d"
(Compute_node.to_string block.Block.compute_node)
(Block_id.to_int block.Block.block_id)
(Pid.to_int block.Block.pid) )
(block.Block.pid) )
~update_weight:(fun wc wb -> wc )
{ property = p1.property ;
data = List.concat [ p1.data ; p2.data ] }
@ -555,13 +570,13 @@ let max_value_per_compute_node t =
let create_key block =
Printf.sprintf "%s %10.10d"
(Compute_node.to_string block.Block.compute_node)
(Pid.to_int block.Block.pid)
(block.Block.pid)
in
List.iter t.data ~f:(fun block ->
List.iter (fun block ->
let key = create_key block
in
let open Block in
Hashtbl.change table key (function
hashtbl_change table key (function
| Some current ->
let vc = Sample.to_float current.value
and vb = Sample.to_float block.value
@ -572,14 +587,14 @@ let max_value_per_compute_node t =
Some block
| None -> Some block
)
);
) t.data ;
{ property = t.property ;
data = Hashtbl.to_alist table
|> List.sort ~cmp:(fun x y ->
data = hashtbl_to_alist table
|> List.sort (fun x y ->
if (x>y) then 1
else if (x<y) then -1
else 0)
|> List.map ~f:(fun (x,y) -> y)
|> List.map (fun (x,y) -> y)
}
@ -653,12 +668,12 @@ let compress_files () =
in
let files =
Sys.ls_dir dir_name
|> List.filter ~f:(fun x ->
|> List.filter (fun x ->
match String.substr_index ~pattern:"locked" x with
| Some x -> false
| None -> true
)
|> List.map ~f:(fun x -> dir_name^x)
|> List.map (fun x -> dir_name^x)
in
let out_channel_dir =
@ -670,7 +685,7 @@ let compress_files () =
Lazy.force Qmcchem_config.hostname
and suffix =
Unix.getpid ()
|> Pid.to_string
|> string_of_int
in
String.concat [ hostname ; "." ; suffix ]
in
@ -679,7 +694,7 @@ let compress_files () =
Out_channel.create (out_channel_dir ^ out_channel_name)
in
List.iter properties ~f:(fun p ->
List.iter (fun p ->
let l =
match p with
| Property.Cpu
@ -693,14 +708,14 @@ let compress_files () =
of_raw_data ~locked:false ~range:(0.,100.) p
|> merge_per_compute_node_and_block_id
in
List.iter l.data ~f:(fun x ->
List.iter (fun x ->
Out_channel.output_string block_channel (Block.to_string x);
Out_channel.output_char block_channel '\n';
);
);
) l.data
) properties ;
Out_channel.close block_channel;
List.iter files ~f:Unix.remove ;
List.iter Unix.remove files ;
Unix.rename ~src:(out_channel_dir^out_channel_name) ~dst:(dir_name^out_channel_name);
Unix.rmdir out_channel_dir
@ -716,20 +731,20 @@ let autocovariance { property ; data } =
with { property ; data } -> Array.of_list data
in
let x_t =
Array.map ~f:(fun x -> (Sample.to_float x.Block.value) -. ave) data
Array.map (fun x -> (Sample.to_float x.Block.value) -. ave) data
in
let f i =
let denom =
if (i > 1) then (float_of_int i) else 1.
in
let r =
Array.sub ~pos:0 ~len:i x_t
|> Array.fold_left ~init:0. ~f:(fun accu x ->
accu +. x *. x_t.(i))
Array.sub 0 i x_t
|> Array.fold_left (fun accu x ->
accu +. x *. x_t.(i)) 0.
in
r /. denom
in
Array.init ~f (Array.length data)
Array.init (Array.length data) f
|> Array.to_list