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5e25738f53
Author | SHA1 | Date | |
---|---|---|---|
5e25738f53 | |||
b14fe1dc34 |
@ -12,12 +12,22 @@ type description = {
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arg : argument ;
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}
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(* Mutable variables *)
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let anon_args = ref []
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and header_doc = ref ""
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and description_doc = ref ""
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and footer_doc = ref ""
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and specs = ref []
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let reset () =
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anon_args := [];
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header_doc := "";
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description_doc := "";
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footer_doc := "";
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specs := []
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(* End mutable variables *)
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let set_header_doc s = header_doc := s
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let set_description_doc s = description_doc := s
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let set_footer_doc s = footer_doc := s
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|
@ -124,3 +124,6 @@ val set_specs : description list -> unit
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val anon_args : unit -> string list
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(** Reset the internal state *)
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val reset : unit -> unit
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|
@ -24,6 +24,8 @@ ALL_EXE=$(patsubst %.ml,%.native,$(wildcard qp_*.ml)) qmcchem.native
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default: $(ALL_EXE)
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mv qmcchem.native $(QMCCHEM_PATH)/bin/qmcchem
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tests: $(ALL_TESTS)
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|
@ -19,7 +19,7 @@ let run ~t ezfio_filename=
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match (Ezfio.get_simulation_http_server ()
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|> String_ext.rsplit2 ~on:':' )
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with
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| Some (a,p) -> a^":"^( (Int.of_string p)+4 |> Int.to_string )
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| Some (a,p) -> a^":"^( (int_of_string p)+4 |> string_of_int )
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| None -> failwith "Badly formed address"
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in
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Zmq.Socket.connect socket address;
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@ -31,7 +31,7 @@ let run ~t ezfio_filename=
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Str.regexp " *: *"
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in
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let tot_size =
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ref (Byte_units.create `Bytes 0.)
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ref 0.
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in
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while true
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do
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@ -41,12 +41,12 @@ let run ~t ezfio_filename=
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let (socket, bytes) =
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match Str.split re_split msg with
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| socket :: bytes :: _ ->
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(socket, Byte_units.create `Bytes (Float.of_string bytes))
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| _ -> (print_endline msg ; ("", Byte_units.create `Bytes 0.))
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(socket, float_of_string bytes)
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| _ -> (print_endline msg ; ("", 0.))
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in
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tot_size := Byte_units.create `Bytes ((Byte_units.bytes !tot_size) +. (Byte_units.bytes bytes));
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Printf.printf "%s\n%!" (Byte_units.to_string !tot_size);
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Time.pause (Time.Span.of_sec 1.)
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tot_size := !tot_size +. bytes;
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Printf.printf "%f\n%!" !tot_size;
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Unix.sleep 1
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done
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end
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else
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@ -62,20 +62,29 @@ let run ~t ezfio_filename=
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let spec =
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let open Command.Spec in
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empty
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+> flag "t" no_arg
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~doc:"Measure the throughput"
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+> anon ("ezfio_file" %: string)
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let command () =
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let open Command_line in
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begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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set_description_doc "Debug ZeroMQ communications";
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[ { short='t' ; long="traffic" ; opt=Optional ;
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doc="Print traffic in bytes" ;
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arg=Without_arg } ;
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anonymous "EZFIO_DIR" Mandatory "EZFIO directory" ]
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|> set_specs
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end;
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let t = Command_line.get_bool "traffic" in
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let ezfio_file =
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match Command_line.anon_args () with
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| ezfio_file :: [] -> ezfio_file
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| _ -> (Command_line.help () ; failwith "Inconsistent command line")
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in
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run t ezfio_file
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let command =
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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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(fun t ezfio_file () -> run t ezfio_file)
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|
@ -274,7 +274,7 @@ let run ~c ?f ?t ?l ?m ?e ?et ?s ?ts ?w ?wt ?n ?j ?p ?input ezfio_filename =
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write_input_in_ezfio ezfio_filename fields
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let () =
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let command () =
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let open Command_line in
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begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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|
@ -10,22 +10,22 @@ let run ezfio_filename =
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[| qmcchem_info ; ezfio_filename |]
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in
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ignore @@
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Unix.exec prog argv
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Unix.execv prog argv
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let command () =
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let open Command_line in
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begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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set_description_doc "Display info on an EZFIO database";
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[ anonymous "EZFIO_DIR" Mandatory "EZFIO directory" ]
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|> set_specs
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end;
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let spec =
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let open Command.Spec in
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empty
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+> anon ("ezfio_file" %: string)
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let command =
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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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Display info on an EZFIO database
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")
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spec
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(fun ezfio_file () -> run ezfio_file )
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let ezfio_file =
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match Command_line.anon_args () with
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| ezfio_file :: [] -> ezfio_file
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| _ -> (Command_line.help () ; failwith "Inconsistent command line")
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in
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run ezfio_file
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|
@ -52,7 +52,7 @@ let run ?c ?d ~l ~update ezfio_filename =
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String.concat "/" [ ezfio_filename; "input"; old_key ]
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in
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Printf.printf "Removing %s\n%!" old_name;
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try Sys.unlink old_name with
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try Sys.remove old_name with
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| Sys_error _ -> ();
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end
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in
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@ -87,11 +87,10 @@ let run ?c ?d ~l ~update ezfio_filename =
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else
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""
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in
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let date =
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(Unix.stat filename).Unix.st_mtime
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in
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let date =
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Unix.strftime (Unix.localtime date) "%a, %d %b %Y %T %z"
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let date =
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let open Unix in
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localtime (stat filename).st_mtime
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|> Time.string_of_date
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in
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Printf.printf "%s : %s %s\n" md5 date this)
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in
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@ -121,7 +120,7 @@ let run ?c ?d ~l ~update ezfio_filename =
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| _ -> handle_options ()
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let () =
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let command () =
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let open Command_line in
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begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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@ -153,6 +152,12 @@ let () =
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let d = Command_line.get "diff" in
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let l = Command_line.get_bool "list" in
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let ezfio_file =
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match Command_line.anon_args () with
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| ezfio_file :: [] -> ezfio_file
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| _ -> (Command_line.help () ; failwith "Inconsistent command line")
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in
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run ?c ?d ~l ~update ezfio_file
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|
@ -206,7 +206,7 @@ let run ?a ?c ?e ?h ?t ?p ?rmin ?rmax ezfio_file =
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display_summary ~range
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let () =
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let command () =
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let open Command_line in
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begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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|
@ -1,4 +1,3 @@
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open Core
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let full_run ?(start_dataserver=true) ezfio_filename =
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(* Identify the job scheduler *)
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@ -39,13 +38,13 @@ let full_run ?(start_dataserver=true) ezfio_filename =
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(* Start the data server *)
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let prog, argv =
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qmcchem, [ qmcchem; "run" ; "-d" ; ezfio_filename]
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let prog, args =
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qmcchem, [| qmcchem; "run" ; "-d" ; ezfio_filename |]
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in
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let pid_dataserver =
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Watchdog.fork_exec ~prog ~argv ()
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Watchdog.fork_exec ~prog ~args ()
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in
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Printf.printf "%7d : %s\n%!" (Pid.to_int pid_dataserver) (String.concat ~sep:" " argv)
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Printf.printf "%7d : %s\n%!" pid_dataserver (String.concat " " (Array.to_list args))
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end;
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@ -87,7 +86,7 @@ let full_run ?(start_dataserver=true) ezfio_filename =
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| n ->
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if (not (test_open_rep_socket ())) then
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begin
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Time.pause (Time.Span.of_sec 0.5);
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Unix.sleepf 0.5;
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count (n-1);
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end
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else
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@ -96,32 +95,33 @@ let full_run ?(start_dataserver=true) ezfio_filename =
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if (not (count 300)) then
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Watchdog.kill ();
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*)
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Time.pause (Time.Span.of_sec 3.);
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Unix.sleep 3;
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(* Start the qmc processes *)
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let prog, argv =
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let prog, args_list =
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let launcher =
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Launcher.(find () |> to_string)
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in
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match launcher
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|> String.split ~on:' '
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|> List.map ~f:String.strip
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|> List.filter ~f:(fun x -> x <> "")
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|> String.split_on_char ' '
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|> List.map String.trim
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|> List.filter (fun x -> x <> "")
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with
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| launcher_exe::launcher_flags ->
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launcher_exe, launcher_exe :: launcher_flags @ qmc @ [
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Ezfio.get_simulation_http_server () ; ezfio_filename ]
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| _ -> failwith "Error in launcher"
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in
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let args = Array.of_list args_list in
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let pid_qmc =
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try
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Watchdog.fork_exec ~prog ~argv ()
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Watchdog.fork_exec ~prog ~args ()
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with
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| Unix.Unix_error _ ->
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begin
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let command =
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String.concat ~sep:" " argv
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String.concat " " args_list
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in
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Printf.printf "
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============================================================
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@ -132,7 +132,7 @@ Error: Unable to run the following command
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Watchdog.kill ()
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end
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in
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Printf.printf "%7d : %s\n%!" (Pid.to_int pid_qmc) (String.concat ~sep:" " argv);
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Printf.printf "%7d : %s\n%!" pid_qmc (String.concat " " args_list);
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(* Wait for processes to finish *)
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Watchdog.join ()
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@ -152,18 +152,19 @@ let run a d ?q ?s ezfio_filename =
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Qputils.set_ezfio_filename ezfio_filename;
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|
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(* Signal handler to Kill properly all the processes *)
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let handler s =
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Printf.printf "QMC=Chem received the %s signal... killing\n%!" (Signal.to_string s);
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let handler s =
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Printf.printf "QMC=Chem received signal %d... killing\n%!" s;
|
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Watchdog.kill ();
|
||||
in
|
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List.iter [
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Signal.int ;
|
||||
Signal.term ;
|
||||
Signal.quit ;
|
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List.iter (fun s -> ignore @@ Sys.signal s (Sys.Signal_handle handler))
|
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[
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Sys.sigint ;
|
||||
Sys.sigterm ;
|
||||
Sys.sigquit ;
|
||||
]
|
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~f:(fun x -> Signal.Expert.handle x handler)
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||||
;
|
||||
|
||||
|
||||
(* Validate input *)
|
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Input.validate ();
|
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(* Printf.printf "MD5 : %s\n" (Lazy.force Md5.hash) ; *)
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@ -191,30 +192,45 @@ let run a d ?q ?s ezfio_filename =
|
||||
|
||||
|
||||
|
||||
let spec =
|
||||
let open Command.Spec in
|
||||
empty
|
||||
+> flag "a" no_arg
|
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~doc:(" Add more resources to a running calculation.")
|
||||
+> flag "d" no_arg
|
||||
~doc:(" Start a dataserver process on the local host.")
|
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+> flag "q" (optional string)
|
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~doc:("<dataserver_addr> Start a qmc process on the local host.")
|
||||
+> flag "s" (optional string)
|
||||
~doc:("<host> Start a qmc process on <host>.")
|
||||
+> anon ("ezfio_file" %: string)
|
||||
|
||||
|
||||
|
||||
let command =
|
||||
Command.basic_spec
|
||||
~summary: "Run a calculation"
|
||||
~readme:(fun () ->
|
||||
"
|
||||
Run QMC=Chem
|
||||
")
|
||||
spec
|
||||
(fun a d q s ezfio_file () -> run a d ?q ?s ezfio_file )
|
||||
let command () =
|
||||
let open Command_line in
|
||||
begin
|
||||
set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
||||
set_description_doc "Run a calculation";
|
||||
|
||||
[ { short='a' ; long="add" ; opt=Optional ;
|
||||
doc="Add more resources to a running calculation" ;
|
||||
arg=Without_arg ; };
|
||||
|
||||
{ short='d' ; long="data-server" ; opt=Optional ;
|
||||
doc="Start a dataserver process on the local host" ;
|
||||
arg=Without_arg ; };
|
||||
|
||||
{ short='q' ; long="local-qmc" ; opt=Optional ;
|
||||
doc="Start a qmc process on the local host attached to the addres given as an argument" ;
|
||||
arg=With_arg "<string>" ; };
|
||||
|
||||
{ short='s' ; long="remote-qmc" ; opt=Optional ;
|
||||
doc="Start a qmc process on the remote host as an argument" ;
|
||||
arg=With_arg "<string>" ; };
|
||||
|
||||
anonymous "EZFIO_DIR" Mandatory "EZFIO directory";
|
||||
]
|
||||
|> set_specs
|
||||
end;
|
||||
|
||||
let a = Command_line.get_bool "add" in
|
||||
let d = Command_line.get_bool "data-server" in
|
||||
let q = Command_line.get "local-qmc" in
|
||||
let s = Command_line.get "remote-qmc" in
|
||||
|
||||
let ezfio_file =
|
||||
match Command_line.anon_args () with
|
||||
| ezfio_file :: [] -> ezfio_file
|
||||
| _ -> (Command_line.help () ; failwith "Inconsistent command line")
|
||||
in
|
||||
|
||||
run a d ?q ?s ezfio_file
|
||||
|
||||
|
||||
|
||||
|
@ -3,20 +3,21 @@ let run ezfio_filename =
|
||||
Qputils.set_ezfio_filename ezfio_filename;
|
||||
Status.write Status.Stopping
|
||||
|
||||
let command () =
|
||||
let open Command_line in
|
||||
begin
|
||||
set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
||||
set_description_doc "Stop a running calculation";
|
||||
[ anonymous "EZFIO_DIR" Mandatory "EZFIO directory" ]
|
||||
|> set_specs
|
||||
end;
|
||||
|
||||
let spec =
|
||||
let open Command.Spec in
|
||||
empty
|
||||
+> anon ("ezfio_file" %: string)
|
||||
let ezfio_file =
|
||||
match Command_line.anon_args () with
|
||||
| ezfio_file :: [] -> ezfio_file
|
||||
| _ -> (Command_line.help () ; failwith "Inconsistent command line")
|
||||
in
|
||||
|
||||
let command =
|
||||
Command.basic_spec
|
||||
~summary: "Stop a running calculation"
|
||||
~readme:(fun () ->
|
||||
"
|
||||
Stop a running calculation
|
||||
")
|
||||
spec
|
||||
(fun ezfio_file () -> run ezfio_file )
|
||||
run ezfio_file
|
||||
|
||||
|
||||
|
@ -1,7 +1,9 @@
|
||||
open Sexplib.Std
|
||||
|
||||
type t =
|
||||
| One_dimensional of float
|
||||
| Multidimensional of (float array * int)
|
||||
[@ deriving sexp]
|
||||
[@@deriving sexp]
|
||||
|
||||
let dimension = function
|
||||
| One_dimensional _ -> 1
|
||||
|
@ -1,4 +1,4 @@
|
||||
type t [@@ deriving sexp]
|
||||
type t [@@deriving sexp]
|
||||
val to_float : ?idx:int -> t -> float
|
||||
val to_float_array : t -> float array
|
||||
val of_float : float -> t
|
||||
|
@ -20,6 +20,30 @@ let string_of_t t =
|
||||
in
|
||||
Printf.sprintf "%2d:%2d:%2d" hour min sec
|
||||
|
||||
let string_of_date t =
|
||||
let year = 1900 + t.Unix.tm_year in
|
||||
let mon = t.Unix.tm_mon in
|
||||
let mday = t.Unix.tm_mday in
|
||||
let sec = t.Unix.tm_sec
|
||||
and min = t.Unix.tm_min
|
||||
and hour = t.Unix.tm_hour
|
||||
in
|
||||
let month =
|
||||
match mon with
|
||||
| 0 -> "Jan" | 1 -> "Feb" | 2 -> "Mar" | 3 -> "Apr"
|
||||
| 4 -> "May" | 5 -> "Jun" | 6 -> "Jul" | 7 -> "Aug"
|
||||
| 8 -> "Sep" | 9 -> "Oct" | 10 -> "Nov" | 11 -> "Dec"
|
||||
| _ -> assert false
|
||||
in
|
||||
Printf.sprintf "%2d %3s %4d - %2.2d:%2.2d:%2.2d" mday month year hour min sec
|
||||
|
||||
|
||||
let string_of_now () =
|
||||
Unix.time ()
|
||||
|> Unix.localtime
|
||||
|> string_of_date
|
||||
|
||||
|
||||
let string_of_sec s =
|
||||
of_sec s
|
||||
|> string_of_t
|
||||
|
@ -1,16 +1,36 @@
|
||||
open Core
|
||||
let update_command_line () =
|
||||
let last = (Array.length Sys.argv) - 2 in
|
||||
Sys.argv.(0) <- Sys.argv.(0) ^ " " ^ Sys.argv.(1);
|
||||
for i=1 to last do
|
||||
Sys.argv.(i) <- Sys.argv.(i+1)
|
||||
done;
|
||||
Sys.argv.(last+1) <- "--"
|
||||
|
||||
|
||||
let command =
|
||||
Command.group ~summary:"QMC=Chem command" [
|
||||
"debug" , Qmcchem_debug.command ;
|
||||
"edit" , Qmcchem_edit.command ;
|
||||
"info" , Qmcchem_info.command ;
|
||||
"md5" , Qmcchem_md5.command ;
|
||||
"result", Qmcchem_result.command ;
|
||||
"run" , Qmcchem_run.command ;
|
||||
"stop" , Qmcchem_stop.command ;
|
||||
]
|
||||
|
||||
let () =
|
||||
Command.run command
|
||||
let () =
|
||||
let open Command_line in
|
||||
begin
|
||||
set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
||||
set_description_doc "Driver for subcommands.";
|
||||
set_specs []
|
||||
end;
|
||||
|
||||
if Array.length Sys.argv < 2 then
|
||||
(Command_line.help (); failwith "Inconsistent command line");
|
||||
|
||||
let command = Sys.argv.(1) in
|
||||
update_command_line ();
|
||||
Command_line.reset ();
|
||||
|
||||
match command with
|
||||
| "debug" -> let open Qmcchem_debug in command ()
|
||||
| "edit" -> let open Qmcchem_edit in command ()
|
||||
| "info" -> let open Qmcchem_info in command ()
|
||||
| "md5" -> let open Qmcchem_md5 in command ()
|
||||
| "result" -> let open Qmcchem_result in command ()
|
||||
| "run" -> let open Qmcchem_run in command ()
|
||||
| "stop" -> let open Qmcchem_stop in command ()
|
||||
| _ -> (Command_line.help () ; failwith "Inconsistent command line")
|
||||
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user