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5e25738f53
...
a13410d277
@ -12,22 +12,12 @@ type description = {
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arg : argument ;
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arg : argument ;
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}
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}
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(* Mutable variables *)
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let anon_args = ref []
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let anon_args = ref []
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and header_doc = ref ""
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and header_doc = ref ""
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and description_doc = ref ""
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and description_doc = ref ""
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and footer_doc = ref ""
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and footer_doc = ref ""
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and specs = 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_header_doc s = header_doc := s
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let set_description_doc s = description_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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let set_footer_doc s = footer_doc := s
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@ -124,6 +124,3 @@ val set_specs : description list -> unit
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val anon_args : unit -> string list
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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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@ -24,8 +24,6 @@ ALL_EXE=$(patsubst %.ml,%.native,$(wildcard qp_*.ml)) qmcchem.native
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default: $(ALL_EXE)
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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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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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match (Ezfio.get_simulation_http_server ()
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|> String_ext.rsplit2 ~on:':' )
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|> String_ext.rsplit2 ~on:':' )
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with
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with
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| Some (a,p) -> a^":"^( (int_of_string p)+4 |> string_of_int )
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| Some (a,p) -> a^":"^( (Int.of_string p)+4 |> Int.to_string )
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| None -> failwith "Badly formed address"
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| None -> failwith "Badly formed address"
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in
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in
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Zmq.Socket.connect socket address;
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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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Str.regexp " *: *"
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in
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in
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let tot_size =
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let tot_size =
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ref 0.
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ref (Byte_units.create `Bytes 0.)
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in
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in
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while true
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while true
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do
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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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let (socket, bytes) =
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match Str.split re_split msg with
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match Str.split re_split msg with
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| socket :: bytes :: _ ->
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| socket :: bytes :: _ ->
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(socket, float_of_string bytes)
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(socket, Byte_units.create `Bytes (Float.of_string bytes))
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| _ -> (print_endline msg ; ("", 0.))
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| _ -> (print_endline msg ; ("", Byte_units.create `Bytes 0.))
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in
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in
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tot_size := !tot_size +. bytes;
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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 "%f\n%!" !tot_size;
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Printf.printf "%s\n%!" (Byte_units.to_string !tot_size);
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Unix.sleep 1
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Time.pause (Time.Span.of_sec 1.)
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done
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done
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end
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end
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else
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else
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@ -62,29 +62,20 @@ let run ~t ezfio_filename=
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let command () =
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let spec =
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let open Command_line in
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let open Command.Spec in
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begin
|
empty
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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+> flag "t" no_arg
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set_description_doc "Debug ZeroMQ communications";
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~doc:"Measure the throughput"
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[ { short='t' ; long="traffic" ; opt=Optional ;
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+> anon ("ezfio_file" %: string)
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doc="Print traffic in bytes" ;
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arg=Without_arg } ;
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|
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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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|
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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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write_input_in_ezfio ezfio_filename fields
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|
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let command () =
|
let () =
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let open Command_line in
|
let open Command_line in
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begin
|
begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
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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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[| qmcchem_info ; ezfio_filename |]
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in
|
in
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ignore @@
|
ignore @@
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Unix.execv prog argv
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Unix.exec 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 ezfio_file =
|
let spec =
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match Command_line.anon_args () with
|
let open Command.Spec in
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| ezfio_file :: [] -> ezfio_file
|
empty
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| _ -> (Command_line.help () ; failwith "Inconsistent command line")
|
+> anon ("ezfio_file" %: string)
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in
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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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run ezfio_file
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|
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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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String.concat "/" [ ezfio_filename; "input"; old_key ]
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in
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in
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Printf.printf "Removing %s\n%!" old_name;
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Printf.printf "Removing %s\n%!" old_name;
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try Sys.remove old_name with
|
try Sys.unlink old_name with
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| Sys_error _ -> ();
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| Sys_error _ -> ();
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end
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end
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in
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in
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@ -88,9 +88,10 @@ let run ?c ?d ~l ~update ezfio_filename =
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""
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""
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in
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in
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let date =
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let date =
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let open Unix in
|
(Unix.stat filename).Unix.st_mtime
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localtime (stat filename).st_mtime
|
in
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|> Time.string_of_date
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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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in
|
in
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||||||
Printf.printf "%s : %s %s\n" md5 date this)
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Printf.printf "%s : %s %s\n" md5 date this)
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in
|
in
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||||||
@ -120,7 +121,7 @@ let run ?c ?d ~l ~update ezfio_filename =
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| _ -> handle_options ()
|
| _ -> handle_options ()
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||||||
|
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||||||
|
|
||||||
let command () =
|
let () =
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||||||
let open Command_line in
|
let open Command_line in
|
||||||
begin
|
begin
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set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
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@ -152,12 +153,6 @@ let command () =
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let d = Command_line.get "diff" in
|
let d = Command_line.get "diff" in
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||||||
let l = Command_line.get_bool "list" in
|
let l = Command_line.get_bool "list" in
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||||||
|
|
||||||
let ezfio_file =
|
|
||||||
match Command_line.anon_args () with
|
|
||||||
| ezfio_file :: [] -> ezfio_file
|
|
||||||
| _ -> (Command_line.help () ; failwith "Inconsistent command line")
|
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||||||
in
|
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||||||
|
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||||||
run ?c ?d ~l ~update ezfio_file
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run ?c ?d ~l ~update ezfio_file
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||||||
|
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||||||
|
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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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display_summary ~range
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||||||
|
|
||||||
|
|
||||||
let command () =
|
let () =
|
||||||
let open Command_line in
|
let open Command_line in
|
||||||
begin
|
begin
|
||||||
set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
||||||
|
@ -1,3 +1,4 @@
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|||||||
|
open Core
|
||||||
|
|
||||||
let full_run ?(start_dataserver=true) ezfio_filename =
|
let full_run ?(start_dataserver=true) ezfio_filename =
|
||||||
(* Identify the job scheduler *)
|
(* Identify the job scheduler *)
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@ -38,13 +39,13 @@ let full_run ?(start_dataserver=true) ezfio_filename =
|
|||||||
|
|
||||||
|
|
||||||
(* Start the data server *)
|
(* Start the data server *)
|
||||||
let prog, args =
|
let prog, argv =
|
||||||
qmcchem, [| qmcchem; "run" ; "-d" ; ezfio_filename |]
|
qmcchem, [ qmcchem; "run" ; "-d" ; ezfio_filename]
|
||||||
in
|
in
|
||||||
let pid_dataserver =
|
let pid_dataserver =
|
||||||
Watchdog.fork_exec ~prog ~args ()
|
Watchdog.fork_exec ~prog ~argv ()
|
||||||
in
|
in
|
||||||
Printf.printf "%7d : %s\n%!" pid_dataserver (String.concat " " (Array.to_list args))
|
Printf.printf "%7d : %s\n%!" (Pid.to_int pid_dataserver) (String.concat ~sep:" " argv)
|
||||||
end;
|
end;
|
||||||
|
|
||||||
|
|
||||||
@ -86,7 +87,7 @@ let full_run ?(start_dataserver=true) ezfio_filename =
|
|||||||
| n ->
|
| n ->
|
||||||
if (not (test_open_rep_socket ())) then
|
if (not (test_open_rep_socket ())) then
|
||||||
begin
|
begin
|
||||||
Unix.sleepf 0.5;
|
Time.pause (Time.Span.of_sec 0.5);
|
||||||
count (n-1);
|
count (n-1);
|
||||||
end
|
end
|
||||||
else
|
else
|
||||||
@ -95,33 +96,32 @@ let full_run ?(start_dataserver=true) ezfio_filename =
|
|||||||
if (not (count 300)) then
|
if (not (count 300)) then
|
||||||
Watchdog.kill ();
|
Watchdog.kill ();
|
||||||
*)
|
*)
|
||||||
Unix.sleep 3;
|
Time.pause (Time.Span.of_sec 3.);
|
||||||
|
|
||||||
|
|
||||||
(* Start the qmc processes *)
|
(* Start the qmc processes *)
|
||||||
let prog, args_list =
|
let prog, argv =
|
||||||
let launcher =
|
let launcher =
|
||||||
Launcher.(find () |> to_string)
|
Launcher.(find () |> to_string)
|
||||||
in
|
in
|
||||||
match launcher
|
match launcher
|
||||||
|> String.split_on_char ' '
|
|> String.split ~on:' '
|
||||||
|> List.map String.trim
|
|> List.map ~f:String.strip
|
||||||
|> List.filter (fun x -> x <> "")
|
|> List.filter ~f:(fun x -> x <> "")
|
||||||
with
|
with
|
||||||
| launcher_exe::launcher_flags ->
|
| launcher_exe::launcher_flags ->
|
||||||
launcher_exe, launcher_exe :: launcher_flags @ qmc @ [
|
launcher_exe, launcher_exe :: launcher_flags @ qmc @ [
|
||||||
Ezfio.get_simulation_http_server () ; ezfio_filename ]
|
Ezfio.get_simulation_http_server () ; ezfio_filename ]
|
||||||
| _ -> failwith "Error in launcher"
|
| _ -> failwith "Error in launcher"
|
||||||
in
|
in
|
||||||
let args = Array.of_list args_list in
|
|
||||||
let pid_qmc =
|
let pid_qmc =
|
||||||
try
|
try
|
||||||
Watchdog.fork_exec ~prog ~args ()
|
Watchdog.fork_exec ~prog ~argv ()
|
||||||
with
|
with
|
||||||
| Unix.Unix_error _ ->
|
| Unix.Unix_error _ ->
|
||||||
begin
|
begin
|
||||||
let command =
|
let command =
|
||||||
String.concat " " args_list
|
String.concat ~sep:" " argv
|
||||||
in
|
in
|
||||||
Printf.printf "
|
Printf.printf "
|
||||||
============================================================
|
============================================================
|
||||||
@ -132,7 +132,7 @@ Error: Unable to run the following command
|
|||||||
Watchdog.kill ()
|
Watchdog.kill ()
|
||||||
end
|
end
|
||||||
in
|
in
|
||||||
Printf.printf "%7d : %s\n%!" pid_qmc (String.concat " " args_list);
|
Printf.printf "%7d : %s\n%!" (Pid.to_int pid_qmc) (String.concat ~sep:" " argv);
|
||||||
|
|
||||||
(* Wait for processes to finish *)
|
(* Wait for processes to finish *)
|
||||||
Watchdog.join ()
|
Watchdog.join ()
|
||||||
@ -153,18 +153,17 @@ let run a d ?q ?s ezfio_filename =
|
|||||||
|
|
||||||
(* Signal handler to Kill properly all the processes *)
|
(* Signal handler to Kill properly all the processes *)
|
||||||
let handler s =
|
let handler s =
|
||||||
Printf.printf "QMC=Chem received signal %d... killing\n%!" s;
|
Printf.printf "QMC=Chem received the %s signal... killing\n%!" (Signal.to_string s);
|
||||||
Watchdog.kill ();
|
Watchdog.kill ();
|
||||||
in
|
in
|
||||||
List.iter (fun s -> ignore @@ Sys.signal s (Sys.Signal_handle handler))
|
List.iter [
|
||||||
[
|
Signal.int ;
|
||||||
Sys.sigint ;
|
Signal.term ;
|
||||||
Sys.sigterm ;
|
Signal.quit ;
|
||||||
Sys.sigquit ;
|
|
||||||
]
|
]
|
||||||
|
~f:(fun x -> Signal.Expert.handle x handler)
|
||||||
;
|
;
|
||||||
|
|
||||||
|
|
||||||
(* Validate input *)
|
(* Validate input *)
|
||||||
Input.validate ();
|
Input.validate ();
|
||||||
(* Printf.printf "MD5 : %s\n" (Lazy.force Md5.hash) ; *)
|
(* Printf.printf "MD5 : %s\n" (Lazy.force Md5.hash) ; *)
|
||||||
@ -192,45 +191,30 @@ let run a d ?q ?s ezfio_filename =
|
|||||||
|
|
||||||
|
|
||||||
|
|
||||||
let command () =
|
let spec =
|
||||||
let open Command_line in
|
let open Command.Spec in
|
||||||
begin
|
empty
|
||||||
set_header_doc (Sys.argv.(0) ^ " - QMC=Chem command");
|
+> flag "a" no_arg
|
||||||
set_description_doc "Run a calculation";
|
~doc:(" Add more resources to a running calculation.")
|
||||||
|
+> flag "d" no_arg
|
||||||
[ { short='a' ; long="add" ; opt=Optional ;
|
~doc:(" Start a dataserver process on the local host.")
|
||||||
doc="Add more resources to a running calculation" ;
|
+> flag "q" (optional string)
|
||||||
arg=Without_arg ; };
|
~doc:("<dataserver_addr> Start a qmc process on the local host.")
|
||||||
|
+> flag "s" (optional string)
|
||||||
{ short='d' ; long="data-server" ; opt=Optional ;
|
~doc:("<host> Start a qmc process on <host>.")
|
||||||
doc="Start a dataserver process on the local host" ;
|
+> anon ("ezfio_file" %: string)
|
||||||
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" ;
|
let command =
|
||||||
arg=With_arg "<string>" ; };
|
Command.basic_spec
|
||||||
|
~summary: "Run a calculation"
|
||||||
{ short='s' ; long="remote-qmc" ; opt=Optional ;
|
~readme:(fun () ->
|
||||||
doc="Start a qmc process on the remote host as an argument" ;
|
"
|
||||||
arg=With_arg "<string>" ; };
|
Run QMC=Chem
|
||||||
|
")
|
||||||
anonymous "EZFIO_DIR" Mandatory "EZFIO directory";
|
spec
|
||||||
]
|
(fun a d q s ezfio_file () -> run a d ?q ?s ezfio_file )
|
||||||
|> 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
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
@ -3,21 +3,20 @@ let run ezfio_filename =
|
|||||||
Qputils.set_ezfio_filename ezfio_filename;
|
Qputils.set_ezfio_filename ezfio_filename;
|
||||||
Status.write Status.Stopping
|
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 ezfio_file =
|
let spec =
|
||||||
match Command_line.anon_args () with
|
let open Command.Spec in
|
||||||
| ezfio_file :: [] -> ezfio_file
|
empty
|
||||||
| _ -> (Command_line.help () ; failwith "Inconsistent command line")
|
+> anon ("ezfio_file" %: string)
|
||||||
in
|
|
||||||
|
|
||||||
run ezfio_file
|
let command =
|
||||||
|
Command.basic_spec
|
||||||
|
~summary: "Stop a running calculation"
|
||||||
|
~readme:(fun () ->
|
||||||
|
"
|
||||||
|
Stop a running calculation
|
||||||
|
")
|
||||||
|
spec
|
||||||
|
(fun ezfio_file () -> run ezfio_file )
|
||||||
|
|
||||||
|
|
||||||
|
@ -1,9 +1,7 @@
|
|||||||
open Sexplib.Std
|
|
||||||
|
|
||||||
type t =
|
type t =
|
||||||
| One_dimensional of float
|
| One_dimensional of float
|
||||||
| Multidimensional of (float array * int)
|
| Multidimensional of (float array * int)
|
||||||
[@@deriving sexp]
|
[@ deriving sexp]
|
||||||
|
|
||||||
let dimension = function
|
let dimension = function
|
||||||
| One_dimensional _ -> 1
|
| 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 : ?idx:int -> t -> float
|
||||||
val to_float_array : t -> float array
|
val to_float_array : t -> float array
|
||||||
val of_float : float -> t
|
val of_float : float -> t
|
||||||
|
@ -20,30 +20,6 @@ let string_of_t t =
|
|||||||
in
|
in
|
||||||
Printf.sprintf "%2d:%2d:%2d" hour min sec
|
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 =
|
let string_of_sec s =
|
||||||
of_sec s
|
of_sec s
|
||||||
|> string_of_t
|
|> string_of_t
|
||||||
|
@ -1,36 +1,16 @@
|
|||||||
let update_command_line () =
|
open Core
|
||||||
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 () =
|
let () =
|
||||||
let open Command_line in
|
Command.run command
|
||||||
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