open Core let full_run ?(start_dataserver=true) ezfio_filename = (* Identify the job scheduler *) let launcher = Launcher.find () and scheduler = Scheduler.find () in Printf.printf "Scheduler : %s\n%!" (Scheduler.to_string scheduler); Printf.printf "Launcher : %s\n%!" (Launcher.to_string launcher ); (* Create the node file *) (* let () = let server_file = Filename.concat ezfio_filename "nodefile" in Out_channel.with_file server_file ~f:(fun out_channel -> Launcher.create_nodefile () |> Out_channel.output_string out_channel ) *) (* Get the configuration of executables *) let qmcchem = Lazy.force Qmcchem_config.qmcchem and qmc = [ Lazy.force Qmcchem_config.qmcchem ; "run" ; "-q" ] in if (start_dataserver) then begin (* Reset socket address in EZFIO *) Ezfio.set_simulation_http_server "tcp://127.0.0.1:65534"; (* Start the data server *) let prog, argv = qmcchem, [ qmcchem; "run" ; "-d" ; ezfio_filename] in let pid_dataserver = Watchdog.fork_exec ~prog ~argv () in Printf.printf "%7d : %s\n%!" (Pid.to_int pid_dataserver) (String.concat ~sep:" " argv) end; (* Check if the ZMQ Rep socket is open *) let test_open_rep_socket () = let zmq_context = ZMQ.Context.create () in let socket = ZMQ.Socket.create zmq_context ZMQ.Socket.req and address = Ezfio.get_simulation_http_server () in let reply = try ( ZMQ.Socket.set_receive_timeout socket 100; ZMQ.Socket.connect socket address; ZMQ.Socket.send socket (Message.(to_string Test)); ZMQ.Socket.recv socket ) with | Unix.Unix_error (_,_,_) -> begin ZMQ.Socket.set_linger_period socket 1 ; ZMQ.Socket.close socket; ZMQ.Context.terminate zmq_context; "Failed" end in reply = "OK" in (* Wait until the rep socket is open *) let rec count = function | 0 -> false | -1 -> true | n -> if (not (test_open_rep_socket ())) then begin Time.pause (Time.Span.of_sec 0.5); count (n-1); end else count (-1); in if (not (count 300)) then Watchdog.kill (); (* Start the qmc processes *) let prog, argv = let launcher = Launcher.(find () |> to_string) in match launcher |> String.split ~on:' ' |> List.map ~f:String.strip |> List.filter ~f:(fun x -> x <> "") with | launcher_exe::launcher_flags -> launcher_exe, launcher_exe :: launcher_flags @ qmc @ [ Ezfio.get_simulation_http_server () ; ezfio_filename ] | _ -> failwith "Error in launcher" in let pid_qmc = try Watchdog.fork_exec ~prog ~argv () with | Unix.Unix_error _ -> begin let command = String.concat ~sep:" " argv in Printf.printf " ============================================================ Error: Unable to run the following command %s ============================================================ \n%!" command ; Watchdog.kill () end in Printf.printf "%7d : %s\n%!" (Pid.to_int pid_qmc) (String.concat ~sep:" " argv); (* Wait for processes to finish *) Watchdog.join () let data_run ezfio_filename = Qmcchem_dataserver.run ezfio_filename ~daemon:false let qmc_run dataserver ezfio_filename = Qmcchem_forwarder.run ezfio_filename dataserver let ssh_run host dataserver ezfio_filename = print_endline ("ssh "^host^" "^ezfio_filename^" "^dataserver) let run a d ?q ?s ezfio_filename = Qputils.set_ezfio_filename ezfio_filename; (* Signal handler to Kill properly all the processes *) let handler s = Printf.printf "QMC=Chem received the %s signal... killing\n%!" (Signal.to_string s); Watchdog.kill (); in List.iter [ Signal.int ; Signal.term ; Signal.quit ; ] ~f:(fun x -> Signal.Expert.handle x handler) ; (* Validate input *) Input.validate (); (* Printf.printf "MD5 : %s\n" (Lazy.force Md5.hash) ; *) let runtype = match (a,d,q,s) with | (false,false, None, None) -> `Run | (false,true, None, None) -> `Data | (true,false, None, None) -> `Add | (false,false, Some dataserver, None) -> `Qmc dataserver | (false,false, Some dataserver, Some host) -> `Ssh (host, dataserver) | _ -> failwith "Options (-a|-d|-q [-s]) are mutually exclusive" in let run = match runtype with | `Run -> full_run ~start_dataserver:true | `Data -> data_run | `Add -> full_run ~start_dataserver:false | `Qmc dataserver -> qmc_run dataserver | `Ssh (host,dataserver) -> ssh_run host dataserver in run ezfio_filename let spec = let open Command.Spec in empty +> flag "a" no_arg ~doc:(" Add more resources to a running calculation.") +> flag "d" no_arg ~doc:(" Start a dataserver process on the local host.") +> flag "q" (optional string) ~doc:(" Start a qmc process on the local host.") +> flag "s" (optional string) ~doc:(" Start a qmc process on .") +> anon ("ezfio_file" %: string) let command = Command.basic ~summary: "Run a calculation" ~readme:(fun () -> " Run QMC=Chem ") spec (fun a d q s ezfio_file () -> run a d ?q ?s ezfio_file )