diff --git a/configure b/configure index 632c2298..9a4bbbc2 100755 --- a/configure +++ b/configure @@ -60,7 +60,7 @@ function execute () { } PACKAGES="" -OCAML_PACKAGES="ocamlbuild cryptokit zmq core sexplib ppx_sexp_conv ppx_deriving getopt" +OCAML_PACKAGES="ocamlbuild cryptokit zmq core.v0.11.3 sexplib ppx_sexp_conv ppx_deriving getopt" while true ; do case "$1" in diff --git a/ocaml/qp_run.ml b/ocaml/qp_run.ml index 54029940..d096b15b 100644 --- a/ocaml/qp_run.ml +++ b/ocaml/qp_run.ml @@ -46,7 +46,7 @@ let run slave ?prefix exe ezfio_file = in let time_start = - Core.Time.now () + Unix.time () in if (not (Sys.file_exists ezfio_file)) then @@ -65,7 +65,15 @@ let run slave ?prefix exe ezfio_file = failwith ("Executable "^exe^" not found") end; - Printf.printf "%s\n" (Core.Time.to_string time_start); + let tm = Unix.localtime time_start in + Printf.printf "Date: %2.2d/%2.2d/%4d %2.2d:%2.2d:%2.2d\n" + tm.Unix.tm_mday + (tm.Unix.tm_mon+1) + (tm.Unix.tm_year+1900) + (tm.Unix.tm_hour + if tm.Unix.tm_isdst then 1 else 0) + tm.Unix.tm_min + tm.Unix.tm_sec + ; Printf.printf "===============\nQuantum Package\n===============\n\n"; Printf.printf "Git Commit: %s\n" Git.message; Printf.printf "Git Date : %s\n" Git.date; @@ -89,10 +97,12 @@ let run slave ?prefix exe ezfio_file = if slave then try let address = - Core.In_channel.read_all qp_run_address_filename - |> String.trim + let ic = open_in qp_run_address_filename in + let result = input_line ic in + close_in ic; + String.trim result in - Unix.putenv "QP_RUN_ADDRESS_MASTER" address + Unix.putenv "QP_RUN_ADDRESS_MASTER" address; with Sys_error _ -> failwith "No master is not running" in @@ -110,8 +120,11 @@ let run slave ?prefix exe ezfio_file = Unix.putenv "QP_RUN_ADDRESS" address; let () = if (not slave) then - Core.Out_channel.with_file qp_run_address_filename ~f:( - fun oc -> Core.Out_channel.output_lines oc [address]) + begin + let oc = open_out qp_run_address_filename in + Printf.fprintf oc "%s\n" address; + close_out oc; + end in @@ -135,9 +148,13 @@ let run slave ?prefix exe ezfio_file = if (not slave) then Sys.remove qp_run_address_filename; - let duration = Core.Time.diff (Core.Time.now()) time_start - |> Core.Time.Span.to_string in - Printf.printf "Wall time : %s\n\n" duration; + let duration = Unix.time () -. time_start |> Unix.gmtime in + let open Unix in + let d, h, m, s = + duration.tm_yday, duration.tm_hour, duration.tm_min, duration.tm_sec + in + Printf.printf "Wall time: %d:%2.2d:%2.2d" (d*24+h) m s ; + Printf.printf "\n\n"; if (exit_code <> 0) then exit exit_code diff --git a/src/fci/fci.irp.f b/src/fci/fci.irp.f index 3bae1e45..5c747081 100644 --- a/src/fci/fci.irp.f +++ b/src/fci/fci.irp.f @@ -48,7 +48,7 @@ program fci else PROVIDE mo_two_e_integrals_in_map - !call run_slave_cipsi + call run_slave_cipsi endif end