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Parallelization in f12

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This commit is contained in:
Anthony Scemama 2020-01-13 18:01:47 +01:00
parent 61ac91e572
commit 581897a08e
1 changed files with 64 additions and 21 deletions
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81
MOBasis/HF12.ml
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@ -5,8 +5,6 @@ open Lacaml.D
module Fis = FourIdxStorage
type q = (float, Bigarray.float64_elt, Bigarray.fortran_layout) Bigarray.Genarray.t
type t = {
simulation : Simulation.t ;
aux_basis : MOBasis.t ;
@ -19,54 +17,99 @@ type t = {
let sum l f = List.fold_left (fun accu i -> accu +. f i) 0. l
let array_3_init d1 d2 d3 f =
let array_3_init d1 d2 d3 fx =
let f k =
let x =
Bigarray.(Array2.create Float64 fortran_layout d1 d2)
in
for j=1 to d2 do
for i=1 to d1 do
x.{i,j} <- fx i j k
done
done;
(k,x)
in
let result =
SharedMemory.create Bigarray.Float64 [| d1 ; d2 ; d3 |]
|> Bigarray.array3_of_genarray
in
if Parallel.master then
Util.list_range 1 d3
|> Stream.of_list
|> Farm.run ~f
|> Stream.iter (fun (k,x) ->
for j=1 to d2 do
for i=1 to d1 do
result.{i,j,k} <- x.{i,j}
done
done)
;
Parallel.broadcast (lazy result)
let array_4_init d1 d2 d3 d4 fx =
let f l =
let x =
Bigarray.(Array3.create Float64 fortran_layout d1 d2 d3)
in
for k=1 to d3 do
for j=1 to d2 do
for i=1 to d1 do
result.{i,j,k} <- f i j k
x.{i,j,k} <- fx i j k l
done
done
done;
result
let array_4_init d1 d2 d3 d4 f =
(l,x)
in
let result =
SharedMemory.create Bigarray.Float64 [| d1;d2;d3;d4 |]
in
if Parallel.master then
Util.list_range 1 d4
|> Stream.of_list
|> Farm.run ~f
|> Stream.iter (fun (l,x) ->
for k=1 to d3 do
for j=1 to d2 do
for i=1 to d1 do
result.{i,j,k,l} <- x.{i,j,k}
done
done
done)
;
Parallel.broadcast (lazy result)
let array_5_init d1 d2 d3 d4 d5 fx =
let f m =
let x =
Bigarray.(Genarray.create Float64 fortran_layout [| d1; d2; d3; d4 |])
in
for l=1 to d4 do
for k=1 to d3 do
for j=1 to d2 do
for i=1 to d1 do
result.{i,j,k,l} <- f i j k l
x.{i,j,k,l} <- fx i j k l m
done
done
done
done;
result
let array_5_init d1 d2 d3 d4 d5 f =
(m,x)
in
let result =
SharedMemory.create Bigarray.Float64 [| d1;d2;d3;d4;d5 |]
in
if Parallel.master then
for m=1 to d5 do
Util.list_range 1 d5
|> Stream.of_list
|> Farm.run ~f
|> Stream.iter (fun (m,x) ->
for l=1 to d4 do
for k=1 to d3 do
for j=1 to d2 do
for i=1 to d1 do
result.{i,j,k,l,m} <- f i j k l m
result.{i,j,k,l,m} <- x.{i,j,k,l}
done
done
done
done
done;
result
done)
;
Parallel.broadcast (lazy result)
let make ~simulation ~mo_basis ~aux_basis_filename () =