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@ -41,6 +41,7 @@ export LD_LIBRARY_PATH="\${QMCCHEM_PATH}/lib:\${LD_LIBRARY_PATH}"
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export LIBRARY_PATH="\${QMCCHEM_PATH}/lib:\${LIBRARY_PATH}"
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export QMCCHEM_MPIRUN="mpirun"
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export QMCCHEM_MPIRUN_FLAGS=""
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#export QMCCHEM_IO="B"
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export C_INCLUDE_PATH="\${QMCCHEM_PATH}/include:\${C_INCLUDE_PATH}"
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#export QMCCHEM_NIC=ib0
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source \${QMCCHEM_PATH}/irpf90/bin/irpman
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141
ocaml/Block.ml
141
ocaml/Block.ml
@ -51,6 +51,26 @@ let of_string s =
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let to_short_string b =
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Printf.sprintf "%s # %s %d %d"
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(Property.to_string b.property)
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(Compute_node.to_string b.compute_node)
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b.pid
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(Block_id.to_int b.block_id)
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let to_string b =
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Printf.sprintf "%s %s # %s %s %s %d"
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(Sample.to_string b.value )
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(Weight.to_float b.weight |> string_of_float)
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(Property.to_string b.property)
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(Compute_node.to_string b.compute_node)
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(string_of_int b.pid)
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(Block_id.to_int b.block_id)
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let zero =
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bytes_of_int 0
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@ -83,22 +103,22 @@ let read_bytes b =
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Then, read the next m bytes and return a tuple containing the decoded data and the rest.
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*)
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let l = Bytes.length b in
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let m =
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Bytes.get_int64_le b 0
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|> Int64.to_int
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in
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let nl = l-m-8 in
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if nl > 0 then
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(Bytes.sub b 8 m, Some (Bytes.sub b (8+m) nl))
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if l < 8 then
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failwith "Zero-sized bytes"
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else
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(Bytes.sub b 8 m, None)
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let m =
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Bytes.get_int64_le b 0
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|> Int64.to_int
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in
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let nl = l-m-8 in
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if nl > 0 then
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(Bytes.sub b 8 m, Some (Bytes.sub b (8+m) nl))
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else
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(Bytes.sub b 8 m, None)
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let of_bytes b =
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let b, _rest =
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read_bytes b
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in
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let rec loop accu s =
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match read_bytes s with
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| data, None -> List.rev (data :: accu)
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@ -106,7 +126,8 @@ let of_bytes b =
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in
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let result =
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match loop [] b with
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| value :: weight :: property :: compute_node :: pid :: block_id :: [] ->
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| property :: value :: weight :: pid :: block_id :: compute_node :: [] ->
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Some
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{ property = Property.of_bytes property;
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value = Sample.of_bytes value;
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weight = Weight.of_bytes weight;
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@ -114,24 +135,17 @@ let of_bytes b =
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block_id = Block_id.of_bytes block_id;
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compute_node = Compute_node.of_bytes compute_node;
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}
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| _ -> assert false
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| _ -> None
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in
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result
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let to_string b =
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let of_string_or_bytes s =
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if Qmcchem_config.binary_io then
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to_bytes b
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|> Bytes.to_string
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Bytes.of_string s
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|> of_bytes
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else
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Printf.sprintf "%s %s # %s %s %s %d"
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(Sample.to_string b.value )
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(Weight.to_float b.weight |> string_of_float)
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(Property.to_string b.property)
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(Compute_node.to_string b.compute_node)
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(string_of_int b.pid)
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(Block_id.to_int b.block_id)
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of_string s
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let dir_name = lazy(
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let ezfio_filename =
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@ -191,26 +205,67 @@ let update_raw_data ?(locked=true) () =
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| Some x -> transform (x::new_list) tail
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in
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let result =
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let rec aux ic accu =
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let l =
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try
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Some (input_line ic)
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with
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| End_of_file -> None
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if Qmcchem_config.binary_io then
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begin
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let result =
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let rec aux buf accu =
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(* Read one block *)
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let item, rest =
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read_bytes buf
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in
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match of_bytes item with
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| None -> []
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| Some item ->
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match rest with
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| None -> List.rev (item::accu)
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| Some rest -> (aux [@tailcall]) rest (item::accu)
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in
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List.concat_map (fun filename ->
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let ic = open_in filename in
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let length = in_channel_length ic in
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let result =
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if length > 0 then
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let buf = Bytes.create length in
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really_input ic buf 0 length;
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aux buf []
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else []
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in
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close_in ic;
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result ) files
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in
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match l with
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| None -> List.rev accu
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| Some l -> (aux [@tailcall]) ic (l::accu)
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in
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List.concat_map (fun filename ->
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let ic = open_in filename in
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let result = aux ic [] in
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close_in ic;
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result ) files
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|> transform []
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in
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result
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result
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end
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else
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begin
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let result =
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let rec aux ic accu =
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let l =
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try
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Some (input_line ic)
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with
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| End_of_file -> None
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in
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match l with
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| None -> List.rev accu
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| Some l -> (aux [@tailcall]) ic (l::accu)
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in
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List.concat_map (fun filename ->
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let ic = open_in filename in
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let result = aux ic [] in
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close_in ic;
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result ) files
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|> transform []
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in
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result
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end
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let to_string_or_bytes b =
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if Qmcchem_config.binary_io then
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to_bytes b
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|> Bytes.to_string
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else
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to_string b
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let raw_data ?(locked=true) () =
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@ -115,5 +115,8 @@ let ip_address = lazy (
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let binary_io = false
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let binary_io =
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try
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Sys.getenv "QMCCHEM_IO" = "B"
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with Not_found -> false
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@ -757,7 +757,7 @@ let run ?(daemon=true) ezfio_filename =
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match wall with
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| Some wall ->
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begin
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output_string !block_channel (Block.to_string wall);
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output_string !block_channel (Block.to_string_or_bytes wall);
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if not Qmcchem_config.binary_io then
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output_char !block_channel '\n';
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end
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@ -767,10 +767,10 @@ let run ?(daemon=true) ezfio_filename =
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begin
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if (status = Status.Running) then
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touch_worker b.Block.compute_node b.Block.pid ;
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output_string !block_channel (Block.to_string b);
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output_string !block_channel (Block.to_string_or_bytes b);
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if not Qmcchem_config.binary_io then
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output_char !block_channel '\n';
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recv_log (Block.to_string b)
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recv_log (Block.to_short_string b)
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end
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| Message.Test
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| Message.GetWalkers _
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@ -740,8 +740,9 @@ let compress_files () =
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*)
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in
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List.iter (fun x ->
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output_string block_channel (Block.to_string x);
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output_char block_channel '\n';
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output_string block_channel (Block.to_string_or_bytes x);
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if not Qmcchem_config.binary_io then
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output_char block_channel '\n';
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) l.data
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) properties ;
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close_out block_channel;
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