LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
Code Issues Releases Wiki Activity

Travis bug

Browse Source
This commit is contained in:
Anthony Scemama 2017-05-03 21:15:54 +02:00
parent 8288437ae6
commit ce10c5052c
6 changed files with 214 additions and 11 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

139
ocaml/Message.ml
View File

@ -455,6 +455,122 @@ end = struct
end
(** GetVector : get the current vector (Davidson) *)
module GetVector_msg : sig
type t =
{ client_id: Id.Client.t ;
}
val create : client_id:int -> t
val to_string : t -> string
end = struct
type t =
{ client_id: Id.Client.t ;
}
let create ~client_id =
{ client_id = Id.Client.of_int client_id }
let to_string x =
Printf.sprintf "get_vector %d"
(Id.Client.to_int x.client_id)
end
module Vector : sig
type t =
{
size : Strictly_positive_int.t;
data : string;
}
val create : size:Strictly_positive_int.t -> data:string -> t
end = struct
type t =
{
size : Strictly_positive_int.t;
data : string;
}
let create ~size ~data =
{ size ; data }
end
(** GetVectorReply_msg : Reply to the GetVector message *)
module GetVectorReply_msg : sig
type t =
{ client_id : Id.Client.t ;
vector : Vector.t }
val create : client_id:Id.Client.t -> vector:Vector.t -> t
val to_string : t -> string
val to_string_list : t -> string list
end = struct
type t =
{ client_id : Id.Client.t ;
vector : Vector.t }
let create ~client_id ~vector =
{ client_id ; vector }
let to_string x =
Printf.sprintf "get_vector_reply %d %d"
(Id.Client.to_int x.client_id)
(Strictly_positive_int.to_int x.vector.Vector.size)
let to_string_list x =
[ to_string x ; x.vector.Vector.data ]
end
(** PutVector : put the current variational wave function *)
module PutVector_msg : sig
type t =
{ client_id : Id.Client.t ;
size : Strictly_positive_int.t ;
vector : Vector.t option;
}
val create :
client_id:int -> size:int -> data:string option -> t
val to_string_list : t -> string list
val to_string : t -> string
end = struct
type t =
{ client_id : Id.Client.t ;
size : Strictly_positive_int.t ;
vector : Vector.t option;
}
let create ~client_id ~size ~data =
let size =
Strictly_positive_int.of_int size
in
let vector =
match data with
| None -> None
| Some s -> Some (Vector.create ~size ~data:s)
in
{ client_id = Id.Client.of_int client_id ;
vector ; size
}
let to_string x =
Printf.sprintf "put_vector %d %d"
(Id.Client.to_int x.client_id)
(Strictly_positive_int.to_int x.size)
let to_string_list x =
match x.vector with
| Some v -> [ to_string x ; v.Vector.data ]
| None -> failwith "Empty vector"
end
(** PutVectorReply_msg : Reply to the PutVector message *)
module PutVectorReply_msg : sig
type t
val create : client_id:Id.Client.t -> t
val to_string : t -> string
end = struct
type t =
{ client_id : Id.Client.t ;
}
let create ~client_id =
{ client_id; }
let to_string x =
Printf.sprintf "put_vector_reply %d"
(Id.Client.to_int x.client_id)
end
(** TaskDone : Inform the server that a task is finished *)
module TaskDone_msg : sig
type t =
@ -526,6 +642,10 @@ type t =
| PutPsi of PutPsi_msg.t
| GetPsiReply of GetPsiReply_msg.t
| PutPsiReply of PutPsiReply_msg.t
| GetVector of GetVector_msg.t
| PutVector of PutVector_msg.t
| GetVectorReply of GetVectorReply_msg.t
| PutVectorReply of PutVectorReply_msg.t
| Newjob of Newjob_msg.t
| Endjob of Endjob_msg.t
| Connect of Connect_msg.t
@ -580,6 +700,10 @@ let of_string s =
~n_det_generators:None ~n_det_selectors:None
~psi_det:None ~psi_coef:None ~energy:None )
end
| GetVector_ client_id ->
GetVector (GetVector_msg.create ~client_id)
| PutVector_ { client_id ; size } ->
PutVector (PutVector_msg.create ~client_id ~size ~data:None )
| Terminate_ -> Terminate (Terminate_msg.create )
| SetWaiting_ -> SetWaiting
| SetStopped_ -> SetStopped
@ -592,6 +716,8 @@ let of_string s =
let to_string = function
| GetPsi x -> GetPsi_msg.to_string x
| PutPsiReply x -> PutPsiReply_msg.to_string x
| GetVector x -> GetVector_msg.to_string x
| PutVectorReply x -> PutVectorReply_msg.to_string x
| Newjob x -> Newjob_msg.to_string x
| Endjob x -> Endjob_msg.to_string x
| Connect x -> Connect_msg.to_string x
@ -600,8 +726,8 @@ let to_string = function
| DisconnectReply x -> DisconnectReply_msg.to_string x
| GetTask x -> GetTask_msg.to_string x
| GetTaskReply x -> GetTaskReply_msg.to_string x
| DelTask x -> DelTask_msg.to_string x
| DelTaskReply x -> DelTaskReply_msg.to_string x
| DelTask x -> DelTask_msg.to_string x
| DelTaskReply x -> DelTaskReply_msg.to_string x
| AddTask x -> AddTask_msg.to_string x
| AddTaskReply x -> AddTaskReply_msg.to_string x
| TaskDone x -> TaskDone_msg.to_string x
@ -610,12 +736,17 @@ let to_string = function
| Error x -> Error_msg.to_string x
| PutPsi x -> PutPsi_msg.to_string x
| GetPsiReply x -> GetPsiReply_msg.to_string x
| PutVector x -> PutVector_msg.to_string x
| GetVectorReply x -> GetVectorReply_msg.to_string x
| SetStopped -> "set_stopped"
| SetRunning -> "set_running"
| SetWaiting -> "set_waiting"
let to_string_list = function
| PutPsi x -> PutPsi_msg.to_string_list x
| GetPsiReply x -> GetPsiReply_msg.to_string_list x
| PutPsi x -> PutPsi_msg.to_string_list x
| GetPsiReply x -> GetPsiReply_msg.to_string_list x
| PutVector x -> PutVector_msg.to_string_list x
| GetVectorReply x -> GetVectorReply_msg.to_string_list x
| _ -> assert false

21
ocaml/Message_lexer.mll
View File

@ -17,6 +17,8 @@ type kw_type =
| TERMINATE
| GET_PSI
| PUT_PSI
| GET_VECTOR
| PUT_VECTOR
| OK
| ERROR
| SET_STOPPED
@ -29,7 +31,8 @@ type state_taskids_clientid = { state : string ; task_ids : int list ;
type state_clientid = { state : string ; client_id : int ; }
type state_tcp_inproc = { state : string ; push_address_tcp : string ; push_address_inproc : string ; }
type psi = { client_id: int ; n_state: int ; n_det: int ; psi_det_size: int ;
n_det_generators: int option ; n_det_selectors: int option }
n_det_generators: int option ; n_det_selectors: int option ; }
type vector = { client_id: int ; size: int }
type msg =
| AddTask_ of state_tasks
@ -43,6 +46,8 @@ type msg =
| Terminate_
| GetPsi_ of int
| PutPsi_ of psi
| GetVector_ of int
| PutVector_ of vector
| Ok_
| Error_ of string
| SetStopped_
@ -85,6 +90,8 @@ and kw = parse
| "terminate" { TERMINATE }
| "get_psi" { GET_PSI }
| "put_psi" { PUT_PSI }
| "get_vector" { GET_PSI }
| "put_vector" { PUT_PSI }
| "ok" { OK }
| "error" { ERROR }
| "set_stopped" { SET_STOPPED }
@ -179,6 +186,15 @@ and kw = parse
in
PutPsi_ { client_id ; n_state ; n_det ; psi_det_size ; n_det_generators ; n_det_selectors }
| GET_VECTOR ->
let client_id = read_int lexbuf in
GetVector_ client_id
| PUT_VECTOR ->
let client_id = read_int lexbuf in
let size = read_int lexbuf in
PutVector_ { client_id ; size }
| CONNECT ->
let socket = read_word lexbuf in
Connect_ socket
@ -253,6 +269,9 @@ and kw = parse
| Some s, Some g -> Printf.sprintf "PUT_PSI client_id:%d n_state:%d n_det:%d psi_det_size:%d n_det_generators:%d n_det_selectors:%d" client_id n_state n_det psi_det_size g s
| _ -> Printf.sprintf "PUT_PSI client_id:%d n_state:%d n_det:%d psi_det_size:%d" client_id n_state n_det psi_det_size
end
| GetVector_ client_id -> Printf.sprintf "GET_VECTOR client_id:%d" client_id
| PutVector_ { client_id ; size } ->
Printf.sprintf "PUT_VECTOR client_id:%d size:%d" client_id size
| Terminate_ -> "TERMINATE"
| SetWaiting_ -> "SET_WAITING"
| SetStopped_ -> "SET_STOPPED"

51
ocaml/TaskServer.ml
View File

@ -26,6 +26,7 @@ type t =
address_tcp : Address.Tcp.t option ;
address_inproc : Address.Inproc.t option ;
psi : Message.Psi.t option;
vector : Message.Vector.t option;
progress_bar : Progress_bar.t option ;
running : bool;
}
@ -523,10 +524,57 @@ let get_psi msg program_state rep_socket =
let put_vector msg rest_of_msg program_state rep_socket =
let vector_local =
match msg.Message.PutVector_msg.vector with
| Some x -> x
| None ->
begin
let data =
match rest_of_msg with
| [ x ] -> x
| _ -> failwith "Badly formed put_vector message"
in
Message.Vector.create
~size:msg.Message.PutVector_msg.size
~data
end
in
let new_program_state =
{ program_state with
vector = Some vector_local
}
and client_id =
msg.Message.PutVector_msg.client_id
in
Message.PutVectorReply (Message.PutVectorReply_msg.create ~client_id)
|> Message.to_string
|> ZMQ.Socket.send rep_socket;
new_program_state
let get_vector msg program_state rep_socket =
let client_id =
msg.Message.GetVector_msg.client_id
in
match program_state.vector with
| None -> failwith "No wave function saved in TaskServer"
| Some vector ->
Message.GetVectorReply (Message.GetVectorReply_msg.create ~client_id ~vector)
|> Message.to_string_list
|> ZMQ.Socket.send_all rep_socket;
program_state
let terminate program_state rep_socket =
reply_ok rep_socket;
{ program_state with
psi = None;
vector = None;
address_tcp = None;
address_inproc = None;
running = false
@ -610,6 +658,7 @@ let run ~port =
{ queue = Queuing_system.create () ;
running = true ;
psi = None;
vector = None;
state = None;
address_tcp = None;
address_inproc = None;
@ -679,6 +728,8 @@ let run ~port =
try
match program_state.state, message with
| _ , Message.Terminate _ -> terminate program_state rep_socket
| _ , Message.PutVector x -> put_vector x rest program_state rep_socket
| _ , Message.GetVector x -> get_vector x program_state rep_socket
| _ , Message.PutPsi x -> put_psi x rest program_state rep_socket
| _ , Message.GetPsi x -> get_psi x program_state rep_socket
| None , Message.Newjob x -> new_job x program_state rep_socket pair_socket

1
ocaml/TaskServer.mli
View File

@ -5,6 +5,7 @@ type t =
address_tcp : Address.Tcp.t option ;
address_inproc : Address.Inproc.t option ;
psi : Message.Psi.t option;
vector : Message.Vector.t option ;
progress_bar : Progress_bar.t option ;
running : bool;
}

4
plugins/CAS_SD_ZMQ/cassd_zmq.irp.f
View File

@ -91,7 +91,7 @@ program cassd_zmq
enddo
endif
E_CI_before(1:N_states) = CI_energy(1:N_states)
call ezfio_set_full_ci_zmq_energy(CI_energy(1))
call ezfio_set_cas_sd_zmq_energy(CI_energy(1))
n_det_before = N_det
to_select = N_det
@ -116,7 +116,7 @@ program cassd_zmq
threshold_davidson = threshold_davidson_in
call diagonalize_CI
call save_wavefunction
call ezfio_set_full_ci_zmq_energy(CI_energy(1))
call ezfio_set_cas_sd_zmq_energy(CI_energy(1))
endif
integer :: exc_max, degree_min

9
src/Davidson/davidson_parallel.irp.f
View File

@ -70,6 +70,11 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze,
! -----------------------
integer :: rc
integer :: N_states_read, N_det_read, psi_det_size_read
integer :: N_det_selectors_read, N_det_generators_read
double precision :: energy(N_st)
write(msg, *) 'get_psi ', worker_id
rc = f77_zmq_send(zmq_to_qp_run_socket,trim(msg),len(trim(msg)),0)
if (rc /= len(trim(msg))) then
@ -84,10 +89,6 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze,
stop 'error'
endif
integer :: N_states_read, N_det_read, psi_det_size_read
integer :: N_det_selectors_read, N_det_generators_read
double precision :: energy(N_st)
read(msg(14:rc),*) rc, N_states_read, N_det_read, psi_det_size_read, &
N_det_generators_read, N_det_selectors_read