mirror of https://gitlab.com/scemama/QCaml.git
Working on parallel
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@ -21,6 +21,15 @@ export LACAML_LIBS="-L${MKLROOT}/lib/intel64 -Wl,--no-as-needed -lmkl_rt -lpthr
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opam install lacaml
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```
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To use Intel MPI
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```bash
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export MPI_INC_DIR=${I_MPI_ROOT}/include64/
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export MPI_LIB_DIR=${I_MPI_ROOT}/lib64/
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export MPI_BIN_PATH=${I_MPI_ROOT}/bin64/
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opam install mpi
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```
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# odoc-ltxhtml
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This plugin allows to embed equations in the documentation generated by Ocamldoc.
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@ -3,7 +3,7 @@
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INCLUDE_DIRS=Parallel,Nuclei,Utils,Basis,SCF,MOBasis,CI
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LIBS=
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PKGS=
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OCAMLBUILD=ocamlbuild -j 0 -cflags $(ocamlcflags) -lflags $(ocamlcflags) $(ocamldocflags) -Is $(INCLUDE_DIRS) -ocamlopt $(ocamloptflags)
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OCAMLBUILD=ocamlbuild -j 0 -cflags $(ocamlcflags) -lflags $(ocamllflags) $(ocamldocflags) -Is $(INCLUDE_DIRS) -ocamlopt $(ocamloptflags)
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MLLFILES=$(wildcard */*.mll) $(wildcard *.mll) Utils/math_functions.c
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MLYFILES=$(wildcard */*.mly) $(wildcard *.mly)
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@ -1,6 +1,76 @@
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(** Module for handling distributed parallelism *)
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let size = Mpi.comm_size Mpi.comm_world
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let rank = Mpi.comm_rank Mpi.comm_world
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let size =
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let result =
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Mpi.comm_size Mpi.comm_world
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in
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assert (result > 0);
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result
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let rank =
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let result =
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Mpi.comm_rank Mpi.comm_world
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in
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assert (result >= 0);
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result
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let barrier () =
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Mpi.barrier Mpi.comm_world
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module Vec = struct
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type t =
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{
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global_first : int ; (* Lower index in the global array *)
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global_last : int ; (* Higher index in the global array *)
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local_first : int ; (* Lower index in the local array *)
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local_last : int ; (* Higher index in the local array *)
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data : Lacaml.D.vec ; (* Lacaml vector containing the data *)
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}
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let pp ppf v =
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Format.fprintf ppf "@[<2>";
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Format.fprintf ppf "@[ gf : %d@]@;" v.global_first;
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Format.fprintf ppf "@[ gl : %d@]@;" v.global_last;
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Format.fprintf ppf "@[ lf : %d@]@;" v.local_first;
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Format.fprintf ppf "@[ ll : %d@]@;" v.local_last;
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Format.fprintf ppf "@[ data : %a@]@;" (Lacaml.Io.pp_lfvec ()) v.data;
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Format.fprintf ppf "@]@.";
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()
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let create n =
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let step = n / size + 1 in
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let local_first = step * rank + 1 in
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let local_last = min (local_first + step - 1) n in
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{
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global_first = 1 ;
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global_last = n ;
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local_first ;
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local_last ;
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data = Lacaml.D.Vec.create (local_last - local_first + 1)
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}
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let make n x =
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let result = create n in
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{ result with data =
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Lacaml.D.Vec.make
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(Lacaml.D.Vec.dim result.data)
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x
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}
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let make0 n =
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make n 0.
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let init n f =
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let result = create n in
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{ result with data =
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Lacaml.D.Vec.init
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(Lacaml.D.Vec.dim result.data)
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(fun i -> f (i+result.local_first-1))
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}
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end
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@ -4,7 +4,82 @@ val size : int
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(** Number of distributed processes. *)
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val rank : Mpi.rank
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(** Rannk of the current distributed processe. *)
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(** Rank of the current distributed processe. *)
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val barrier : unit -> unit
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(** Wait for all processes to reach this point. *)
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(** {5 Vector operations} *)
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module Vec : sig
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type t =
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{
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global_first : int ; (* Lower index in the global array *)
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global_last : int ; (* Higher index in the global array *)
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local_first : int ; (* Lower index in the local array *)
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local_last : int ; (* Higher index in the local array *)
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data : Lacaml.D.vec ; (* Lacaml vector containing the data *)
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}
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val pp : Format.formatter -> t -> unit
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(** {6 Creation/conversion of vectors and dimension accessor} *)
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val create : int -> t
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(** [create n] @return a distributed vector with [n] rows (not initialized). *)
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val make : int -> float -> t
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(** [make n x] @return a distributed vector with [n] rows initialized with value [x]. *)
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val make0 : int -> t
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(** [make0 n x] @return a distributed vector with [n] rows initialized with the zero
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element. *)
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val init : int -> (int -> float) -> t
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(** [init n f] @return a distributed vector containing [n] elements, where
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each element at position [i] is initialized by the result of calling [f i]. *)
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(*
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val of_array : float array -> t
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(** [of_array ar] @return a distributed vector initialized from array [ar]. *)
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val to_array : t -> float array
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(** [to_array v] @return an array initialized from vector [v]. *)
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val of_vec : Lacaml.D.vec -> t
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(** [of_vec vec] @return a distributed vector initialized from Lacaml vector [vec]. *)
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val to_vec : t -> Lacaml.D.vec
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(** [to_vec v] @return a Lacaml vector initialized from vector [v]. *)
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*)
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end
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(*
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module Mat : sig
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type t =
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{
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global_first_row : int ; (* Lower row index in the global array *)
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global_last_row : int ; (* Higher row index in the global array *)
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global_first_col : int ; (* Lower column index in the global array *)
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global_last_col : int ; (* Higher column index in the global array *)
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local_first_row : int ; (* Lower row index in the local array *)
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local_last_row : int ; (* Higher row index in the local array *)
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local_first_col : int ; (* Lower column index in the local array *)
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local_last_col : int ; (* Higher column index in the local array *)
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data : Lacaml.D.mat ; (* Lacaml matrix containing the data *)
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}
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end
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val gemm : Mat.t -> Mat.t -> Mat.t
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(* Distributed matrix-matrix product. The result is a distributed matrix. *)
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val dot : Vec.t -> Vec.t-> float
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(* Dot product between distributed vectors. *)
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*)
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@ -1,6 +1,7 @@
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Requirements
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------------
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* MPI : Message Passing Interface
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* BLAS/LAPACK : Linear algebra
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* LaCaml : LAPACK OCaml interface
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* Zarith : Arbitrary-precision integers
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@ -8,3 +9,6 @@ Requirements
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* odoc-ltxhtml : https://github.com/akabe/odoc-ltxhtml
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* Alcotest : Lightweight testing framework
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Troubleshooting
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---------------
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24
opam
24
opam
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@ -1,24 +0,0 @@
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opam-version: "1.2"
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name: "QCaml"
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version: "0.1"
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maintainer: "Anthony Scemama <scemama@irsamc.ups-tlse.fr>"
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authors: "Anthony Scemama <scemama@irsamc.ups-tlse.fr>"
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homepage: "http://github.com/scemama/QCaml"
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#bug-reports: ""
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#license: ""
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dev-repo: "http://github.com/scemama/QCaml"
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build: [
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["./configure" "-prefix" "%{prefix}%"]
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[make]
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]
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install: [make "install"]
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remove: [
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["./configure" "-prefix" "%{prefix}%"]
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[make "uninstall"]
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["ocamlfind" "remove" "QCaml"]
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]
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depends: [
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"ocamlfind" "lacaml" "alcotest" {build}
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]
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@ -1,5 +1,7 @@
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let () =
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Printf.printf "Hello from rank %d of %d.\n"
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Parallel.rank Parallel.size
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Printf.printf "Hello from rank %d of %d.\n" Parallel.rank Parallel.size;
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let () = Parallel.barrier () in
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let v = Parallel.Vec.init 47 (fun i -> float_of_int i) in
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Format.printf "%a" Parallel.Vec.pp v;
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