open Core open Qptypes (** Display a table that can be plotted by gnuplot *) let display_table ~range property = let p = Property.of_string property |> Random_variable.of_raw_data ~range in let conv = Random_variable.convergence p and rconv = Random_variable.rev_convergence p and data = p.Random_variable.data in let results = List.map2_exn conv rconv ~f:(fun (val1, err1) (val2,err2) -> (val1, err1, val2, err2)) in List.iter2_exn results data ~f:(fun (val1, err1, val2, err2) block -> Printf.printf "%10.6f %10.6f %10.6f %10.6f %10.6f\n" val1 err1 val2 err2 (Sample.to_float block.Block.value) ) ;; (** Display a convergence plot of the requested property *) let display_plot ~range property = print_string ("display_plot "^property^".\n") ;; (** Display a convergence table of the error *) let display_err_convergence ~range property = let p = Property.of_string property |> Random_variable.of_raw_data ~range in let rec aux n p = match Random_variable.ave_error p with | (ave, Some error) -> let (ave, error) = Random_variable.Average.to_float ave, Random_variable.Error.to_float error in Printf.printf "%10d %16.10f %16.10f\n" n ave error ; begin if ((3*n) < (List.length p.Random_variable.data)) then let new_p = Random_variable.compress p in aux (n+n) new_p end | (ave, None) -> () in aux 1 p ;; (** Display the centered cumulants of a property *) let display_cumulants ~range property = let p = Property.of_string property |> Random_variable.of_raw_data ~range in let cum = Random_variable.centered_cumulants p in Printf.printf "Average = %16.10f\n" cum.(0); Printf.printf "Variance = %16.10f\n" cum.(1); Printf.printf "Centered k3 = %16.10f\n" cum.(2); Printf.printf "Centered k4 = %16.10f\n" cum.(3); Printf.printf "\n%!"; let n = 1. /. 12. *. cum.(2) *. cum.(2) +. 1. /. 48. *. cum.(3) *. cum.(3) in Printf.printf "Non-gaussianity = %16.10f\n" n ;; (** Display a table for the autocovariance of the property *) let display_autocovariance ~range property = let p = Property.of_string property |> Random_variable.of_raw_data ~range in Random_variable.autocovariance p |> List.iteri ~f:(fun i x -> Printf.printf "%10d %16.10f\n" i x) ;; (** Display a histogram of the property *) let display_histogram ~range property = let p = Property.of_string property |> Random_variable.of_raw_data ~range in let histo = Random_variable.histogram p in let g = Random_variable.GaussianDist.create ~mu:(Random_variable.average p) ~sigma2:((Random_variable.centered_cumulants p).(1) |> Random_variable.Variance.of_float) in let g = Random_variable.GaussianDist.eval ~g in List.iter histo ~f:( fun (x,y) -> Printf.printf "%16.10f %16.10f %16.10f\n" x y (g ~x)) (* and sigma2 = (Random_variable.centered_cumulants p).(1) and pi = acos(-1.) in let one_over_2sigma2 = 1. /. ( 2. *. sigma2 ) and mu = Random_variable.average p and norm = 1. /. (sqrt(sigma2 *. 2.*.pi)) in List.map histo ~f:(fun (x,y) -> let g = norm *. exp(-.((x-.mu)*.(x-.mu)*.one_over_2sigma2)) in (x,y,g) ) |> List.iter ~f:(fun (x,y,g) -> Printf.printf "%16.10f %16.10f %16.10f\n" x y g) *) ;; (** Display a summary of all the cmoputed quantities *) let display_summary ~range = let properties = Lazy.force Block.properties and print_property property = let p = Random_variable.of_raw_data ~range property in Printf.printf "%20s : %s\n" (Property.to_string property) (Random_variable.to_string p) in List.iter properties ~f:print_property ; let open Random_variable in let p = (of_raw_data ~range Property.E_ref_zv) -! ( (of_raw_data ~range Property.E_loc_zv) /! (of_raw_data ~range Property.Weight_zv) ) in Printf.printf "%20s : %s\n" ("E_loc_zv(+)") (Random_variable.to_string p); (*--- let open Random_variable in let e_trial = Input.Trial_wf_energy.read () |> Input.Trial_wf_energy.to_float in let p = ( (of_raw_data ~range Property.E_pdmc) /! (of_raw_data ~range Property.W_pdmc) ) -! ( (of_raw_data ~range Property.E_loc) -@ e_trial ) in Printf.printf "%20s : %s %f\n" ("E_pdmc(zv)") (Random_variable.to_string p) e_trial; ---*) let cpu = Random_variable.of_raw_data ~range Property.Cpu |> Random_variable.sum and wall = Random_variable.of_raw_data ~range Property.Wall |> Random_variable.max_value_per_compute_node |> Random_variable.sum in let speedup = cpu /. wall in Printf.printf "%20s : %10.2f x\n" "Speedup" speedup; ;; let run ?a ?c ?e ?h ?t ?p ?rmin ?rmax ezfio_file = Qputils.set_ezfio_filename ezfio_file; let rmin = match rmin with | None -> 0. | Some x when (x<0) -> failwith "rmin should be >= 0" | Some x when (x>100) -> failwith "rmin should be <= 100" | Some x -> Float.of_int x and rmax = match rmax with | None -> 100. | Some x when (x<0) -> failwith "rmax should be >= 0" | Some x when (x>100) -> failwith "rmax should be <= 100" | Some x -> Float.of_int x in let range = (rmin, rmax) in let l = [ (a, display_autocovariance) ; (c, display_cumulants) ; (e, display_err_convergence) ; (h, display_histogram) ; (p, display_plot) ; (t, display_table) ; ] in let f (x,func) = match x with | Some property -> func ~range property | None -> () in List.iter ~f l ; if (List.fold ~init:true ~f:(fun accu x -> match x with | (None, _) -> accu && true | (Some _,_) -> false ) l ) then display_summary ~range ;; let spec = let open Command.Spec in empty +> flag "a" (optional string) ~doc:"property Display the autcovariance function of the property" +> flag "c" (optional string) ~doc:"property Print the centered cumulants of a property" +> flag "e" (optional string) ~doc:"property Display the convergence of the error of the property by merging blocks" +> flag "h" (optional string) ~doc:"property Display the histogram of the property blocks" +> flag "p" (optional string) ~doc:"property Display a convergence plot for a property" +> flag "rmin" (optional int) ~doc:"int Lower bound of the percentage of the total weight to consider (default 0)" +> flag "rmax" (optional int) ~doc:"int Upper bound of the percentage of the total weight to consider (default 100)" +> flag "t" (optional string) ~doc:"property Print a table for the convergence of a property" +> anon ("ezfio_file" %: string) ;; let command = Command.basic_spec ~summary: "Displays the results computed in an EZFIO directory." ~readme:(fun () -> "Displays the results computed in an EZFIO directory.") spec (fun a c e h p rmin rmax t ezfio_file () -> run ?a ?c ?e ?h ?t ?p ?rmin ?rmax ezfio_file ) ;;