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https://gitlab.com/scemama/qmcchem.git
synced 2024-08-29 22:33:41 +02:00
Works with Core 0.10
This commit is contained in:
parent
51e59aff8e
commit
267c1cf9a0
@ -68,7 +68,7 @@ let dir_name = lazy(
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Lazy.force Qputils.ezfio_filename
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in
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let md5 =
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Md5.hash ()
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QmcMd5.hash ()
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in
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List.fold_right ~init:"" ~f:Filename.concat
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[ ezfio_filename ; "blocks" ; md5 ; Filename.dir_sep ]
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@ -142,7 +142,7 @@ let raw_data ?(locked=true) () =
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let properties = lazy (
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let set = Set.empty ~comparator:Comparator.Poly.comparator in
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let set = Set.Poly.empty in
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List.fold (raw_data ()) ~init:set ~f:(fun s x -> Set.add s x.property)
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|> Set.to_list
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)
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@ -40,7 +40,7 @@ let create_nodefile () =
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in
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let h =
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Hashtbl.create ~hashable:String.hashable ~size:1000 ()
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String.Table.create ~size:1000 ()
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in
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let in_channel =
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@ -59,10 +59,12 @@ let run ?(daemon=true) ezfio_filename =
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(*
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(** Maximum size of the blocks file before compressing *)
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let max_file_size = ref (
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Byte_units.create `Kilobytes 64.)
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in
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*)
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let hostname =
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@ -781,6 +783,7 @@ let run ?(daemon=true) ezfio_filename =
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| _ ->
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begin
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Out_channel.flush !block_channel ;
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(*
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let file_size =
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(Unix.stat block_channel_filename_locked).Unix.st_size
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|> Float.of_int64
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@ -791,6 +794,7 @@ let run ?(daemon=true) ezfio_filename =
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compress_block_file ();
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max_file_size := Byte_units.scale file_size 1.2;
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end
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*)
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end
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end
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done;
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@ -74,7 +74,7 @@ let spec =
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let command =
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Command.basic
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Command.basic_spec
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~summary: "Debug ZeroMQ communications"
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~readme:(fun () -> "Gets debug information from the ZMQ debug sockets.")
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spec
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@ -95,10 +95,10 @@ let create_temp_file ?temp_filename ezfio_filename fields =
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(** Write the input file corresponding to the MD5 key *)
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let write_input_in_ezfio ezfio_filename fields =
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let dirname =
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Lazy.force Md5.input_directory
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Lazy.force QmcMd5.input_directory
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in
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let temp_filename =
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Md5.hash ()
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QmcMd5.hash ()
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|> Filename.concat dirname
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in
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let input_filename =
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@ -246,7 +246,7 @@ let run ~c ?f ?t ?l ?m ?e ?et ?s ?ts ?w ?wt ?n ?j ?p ?input ezfio_filename =
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if c then
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begin
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let dirname =
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Filename.concat (Filename.concat ezfio_filename "blocks") (Md5.hash ())
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Filename.concat (Filename.concat ezfio_filename "blocks") (QmcMd5.hash ())
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in
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let rec clean_dir y =
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match Sys.is_directory y with
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@ -268,7 +268,7 @@ let run ~c ?f ?t ?l ?m ?e ?et ?s ?ts ?w ?wt ?n ?j ?p ?input ezfio_filename =
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;
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Input.validate ();
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Md5.reset_hash ();
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QmcMd5.reset_hash ();
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write_input_in_ezfio ezfio_filename fields
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@ -308,7 +308,7 @@ let spec =
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;;
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let command =
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Command.basic
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Command.basic_spec
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~summary: "Edit input data"
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~readme:(fun () ->
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"
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@ -20,7 +20,7 @@ let bind_socket ~socket_type ~socket ~address =
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let run ezfio_filename dataserver =
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let dataserver_address, dataserver_port =
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Substring.create ~pos:6 dataserver
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Substring.create ~pos:6 (Bytes.of_string dataserver)
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|> Substring.to_string
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|> String.lsplit2_exn ~on:':'
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and qmc =
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@ -20,7 +20,7 @@ let spec =
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+> anon ("ezfio_file" %: string)
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let command =
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Command.basic
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Command.basic_spec
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~summary: "Display info on an EZFIO database"
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~readme:(fun () ->
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"
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@ -5,13 +5,13 @@ let run ?c ?d ~l ~update ezfio_filename =
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Qputils.set_ezfio_filename ezfio_filename;
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let input_directory =
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Lazy.force Md5.input_directory
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Lazy.force QmcMd5.input_directory
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in
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let handle_options () =
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let current_md5 =
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Md5.hash ()
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QmcMd5.hash ()
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in
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let filename_of_key key =
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@ -30,9 +30,9 @@ let run ?c ?d ~l ~update ezfio_filename =
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Printf.printf "Updating\n%!" ;
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let update_one old_key =
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Qmcchem_edit.run ~c:false ~input:(filename_of_key old_key) ezfio_filename;
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Md5.reset_hash ();
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QmcMd5.reset_hash ();
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let new_key =
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Md5.hash ()
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QmcMd5.hash ()
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in
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if (old_key <> new_key) then
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@ -118,7 +118,7 @@ let run ?c ?d ~l ~update ezfio_filename =
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match (c,d,l,update) with
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| (None,None,false,false) ->
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Printf.printf "Current key :\n%s\n" (Md5.hash ())
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Printf.printf "Current key :\n%s\n" (QmcMd5.hash ())
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| _ -> handle_options ()
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@ -138,7 +138,7 @@ let spec =
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let command =
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Command.basic
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Command.basic_spec
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~summary: "Manipulate input MD5 keys"
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~readme:(fun () ->
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"
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@ -258,7 +258,7 @@ let spec =
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;;
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let command =
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Command.basic
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Command.basic_spec
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~summary: "Displays the results computed in an EZFIO directory."
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~readme:(fun () -> "Displays the results computed in an EZFIO directory.")
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spec
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@ -204,7 +204,7 @@ let spec =
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let command =
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Command.basic
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Command.basic_spec
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~summary: "Run a calculation"
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~readme:(fun () ->
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"
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@ -12,7 +12,7 @@ let spec =
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+> anon ("ezfio_file" %: string)
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let command =
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Command.basic
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Command.basic_spec
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~summary: "Stop a running calculation"
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~readme:(fun () ->
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"
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@ -344,10 +344,10 @@ let max_block =
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(** Create a hash table for merging *)
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let create_hash ~hashable ~create_key ?(update_block_id=(fun x->x))
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let create_hash ~create_key ?(update_block_id=(fun x->x))
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?(update_value=(fun wc vc wb vb sw -> (wc *. vc +. wb *. vb) /. sw) )
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?(update_weight=(fun wc wb -> wc +. wb) ) t =
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let table = Hashtbl.create ~hashable:hashable ()
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let table = String.Table.create ()
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in
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List.iter t.data ~f:(fun block ->
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let key = create_key block
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@ -405,8 +405,8 @@ let create_hash ~hashable ~create_key ?(update_block_id=(fun x->x))
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(** Genergic merge function *)
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let merge ~hashable ~create_key ?update_block_id ?update_value ?update_weight t =
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let table = create_hash ~hashable ~create_key ?update_block_id ?update_value ?update_weight t
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let merge ~create_key ?update_block_id ?update_value ?update_weight t =
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let table = create_hash ~create_key ?update_block_id ?update_value ?update_weight t
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in
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{ property = t.property ;
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data = Hashtbl.to_alist table
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@ -422,14 +422,12 @@ let merge ~hashable ~create_key ?update_block_id ?update_value ?update_weight t
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(** Merge per block id *)
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let merge_per_block_id =
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merge
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~hashable:Int.hashable
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~create_key:(fun block -> Block_id.to_int block.Block.block_id)
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~create_key:(fun block -> Block_id.to_string block.Block.block_id)
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(** Merge per compute_node *)
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let merge_per_compute_node =
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merge
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~hashable:String.hashable
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~create_key:(fun block ->
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Printf.sprintf "%s"
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(Compute_node.to_string block.Block.compute_node) )
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@ -439,7 +437,6 @@ let merge_per_compute_node =
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(** Merge per Compute_node and PID *)
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let merge_per_compute_node_and_pid =
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merge
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~hashable:String.hashable
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~create_key:(fun block ->
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Printf.sprintf "%s %10.10d"
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(Compute_node.to_string block.Block.compute_node)
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@ -450,7 +447,6 @@ let merge_per_compute_node_and_pid =
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(** Merge per Compute_node and BlockId *)
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let merge_per_compute_node_and_block_id =
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merge
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~hashable:String.hashable
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~create_key:(fun block ->
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Printf.sprintf "%s %10.10d"
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(Compute_node.to_string block.Block.compute_node)
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@ -481,7 +477,6 @@ let ( /@ ) p f = one_variable_operator p f
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let two_variable_operator ~update_value p1 p2 =
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merge
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~update_value
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~hashable:String.hashable
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~create_key:(fun block ->
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Printf.sprintf "%s %10.10d %10.10d"
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(Compute_node.to_string block.Block.compute_node)
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@ -509,7 +504,6 @@ let ( /! ) = two_variable_operator
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(** Merge two consecutive blocks *)
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let compress =
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merge
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~hashable:String.hashable
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~create_key:(fun block ->
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Printf.sprintf "%s %10.10d" (Compute_node.to_string block.Block.compute_node)
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(((Block_id.to_int block.Block.block_id)+1)/2))
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@ -522,7 +516,7 @@ let compress =
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(** Last value on each compute node (for wall_time) *)
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let max_value_per_compute_node t =
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let table = Hashtbl.create ~hashable:String.hashable ()
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let table = String.Table.create ()
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in
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let create_key block =
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Printf.sprintf "%s %10.10d"
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