Fixed zmq_ezfio

build.ninja

@@ -4,7 +4,7 @@ rule compile_ezfio
   pool = console
 
 rule build_properties_config
-  command = bash -c "source qmcchemrc ; exec python ./scripts/create_properties_ezfio.py"
+  command = bash -c "source qmcchemrc ; exec python2 ./scripts/create_properties_ezfio.py"
   pool = console
 
 rule compile_irpf90

install/build.ninja

@@ -5,10 +5,13 @@
 
 URL_OPAM  ="https://raw.github.com/ocaml/opam/master/shell/opam_installer.sh"
 URL_IRPF90="https://github.com/scemama/irpf90/archive/v1.6.7.tar.gz"
-URL_EZFIO ="https://github.com/scemama/EZFIO/archive/v1.3.1.tar.gz"
+URL_EZFIO ="https://gitlab.com/scemama/EZFIO/-/archive/v1.3.3/EZFIO-v1.3.3.tar.gz"
+#URL_IRPF90="https://github.com/scemama/irpf90/archive/v1.7.2.tar.gz"
 
 URL_ZMQ   ="http://download.zeromq.org/zeromq-4.1.4.tar.gz"
 URL_F77ZMQ="https://github.com/scemama/f77_zmq/archive/4.1.4.tar.gz"
+#URL_ZMQ   ="https://github.com/zeromq/libzmq/archive/v4.2.5.tar.gz"
+#URL_F77ZMQ="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz"
 
 # Rules
 #######
@@ -49,6 +52,7 @@ build _build/irpf90.ok ../bin/irpman ../bin/irpf90: install | Downloads/irpf90.t
   target = irpf90
   descr = IRPF90
 
+#build _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h: install | Downloads/zmq.tar.gz 
 build _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.4 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h: install | Downloads/zmq.tar.gz 
   target = zmq
   descr = ZeroMQ
@@ -57,7 +61,7 @@ build _build/ezfio.ok: install | Downloads/ezfio.tar.gz  _build/irpf90.ok ../bin
   target = ezfio
   descr = EZFIO
 
-build _build/f77_zmq.ok ../src/ZMQ/f77_zmq.h ../lib/libf77zmq.a ../lib/libf77zmq.so: install | Downloads/f77_zmq.tar.gz  _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.4 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
+build _build/f77_zmq.ok ../src/ZMQ/f77_zmq.h ../lib/libf77zmq.a ../lib/libf77zmq.so: install | Downloads/f77_zmq.tar.gz  _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
   target = f77_zmq
   descr = Fortran ZeroMQ interface
 
@@ -69,7 +73,7 @@ build _build/ocaml.ok ../bin/opam: install | Downloads/opam_installer.sh  _build
   target = ocaml
   descr = OCaml compiler 
 
-build _build/ocaml_zmq.ok: install | ../bin/opam ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h _build/ocaml.ok _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.4 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
+build _build/ocaml_zmq.ok: install | ../bin/opam ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h _build/ocaml.ok _build/zmq.ok ../lib/libzmq.a ../lib/libzmq.so.5 ../lib/libzmq.so ../lib/zmq.h ../lib/zmq_utils.h
   target = ocaml_zmq
   descr = OCaml ZeroMQ interface
 

install/scripts/install_f77_zmq.sh

@@ -5,17 +5,18 @@ function _install()
 {
   cd .. ; QMCCHEM_PATH="$PWD" ; cd -
   set +u
-  export C_INCLUDE_PATH="${C_INCLUDE_PATH}":../../../lib
+  export C_INCLUDE_PATH="${C_INCLUDE_PATH}":../../../include
   set -e
   set -u
   cd "${BUILD}"
-  export ZMQ_H="${QMCCHEM_PATH}"/lib/zmq.h
+  export ZMQ_H="${QMCCHEM_PATH}"/include/zmq.h
   cp "${ZMQ_H}" .
   make -j 8
   cd - 
   rm -f -- "${QMCCHEM_PATH}"/src/ZMQ/f77_zmq.h "${QMCCHEM_PATH}"/lib/libf77zmq.a "${QMCCHEM_PATH}"/lib/libf77zmq.so
   cp "${BUILD}"/libf77zmq.{a,so} ../lib/ 
   cp "${BUILD}"/f77_zmq.h ../src/ZMQ/ 
+#  cp "${BUILD}"/f77_zmq_free.h ../src/ZMQ/f77_zmq.h
   return 0
 }
 

install/scripts/install_zmq.sh

@@ -10,8 +10,10 @@ function _install()
   set -e
   set -u
   cd "${BUILD}"
-  ./configure --without-libsodium
+  ./autogen.sh
+  ./configure --without-libsodium --prefix=${QMCCHEM_PATH} --disable-libunwind
   make -j 8
+  make install
   cd - 
   rm -f -- "${QMCCHEM_PATH}"/lib/libzmq.{a,so,so.$LIBVERSION} 
  cp "${BUILD}"/.libs/libzmq.a "${QMCCHEM_PATH}"/lib/ 

ocaml/Launcher.ml

@@ -9,6 +9,16 @@ let to_string = function
   | Srun     -> "srun"
   | Bash     -> "env"
   | MPI      -> Lazy.force Qmcchem_config.mpirun
+(*
+let to_string = function
+  | MPI
+  | Srun     -> String.concat ~sep:" " [ Lazy.force Qmcchem_config.mpirun ;
+      match Sys.getenv "QMCCHEM_MPIRUN_FLAGS" with
+      | None -> ""
+      | Some p -> p
+    ]
+  | Bash     -> "env"
+*)
 
 
 (** Find the launcher for the current job scheduler *)

ocaml/Qmcchem_config.ml

@@ -83,7 +83,7 @@ let hostname = lazy (
   try
     Unix.gethostname ()
   with
-  | _ -> "127.0.0.1"
+  | _ -> "localhost"
 )
 
 

ocaml/Qmcchem_run.ml

@@ -35,7 +35,7 @@ let full_run ?(start_dataserver=true) ezfio_filename  =
   if (start_dataserver) then
     begin
       (* Reset socket address in EZFIO *)
-      Ezfio.set_simulation_http_server "tcp://127.0.0.1:65534";
+      Ezfio.set_simulation_http_server "tcp://localhost:65534";
 
 
       (* Start the data server *)
@@ -49,6 +49,7 @@ let full_run ?(start_dataserver=true) ezfio_filename  =
     end;
   
 
+(*
   (* Check if the Zmq Rep socket is open *)
   let test_open_rep_socket () =
     let zmq_context =
@@ -59,22 +60,22 @@ let full_run ?(start_dataserver=true) ezfio_filename  =
     and address = 
       Ezfio.get_simulation_http_server ()
     in
+    Zmq.Socket.set_receive_timeout socket 100;
     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 (_,_,_) ->
+       | Unix.Unix_error _ ->
            begin
-             Zmq.Socket.set_linger_period socket 1 ;
-             Zmq.Socket.close socket;
-             Zmq.Context.terminate zmq_context;
              "Failed"
            end
     in
+    Zmq.Socket.set_linger_period socket 1 ;
+    Zmq.Socket.close socket;
+    Zmq.Context.terminate zmq_context;
     reply = "OK"
   in
 
@@ -94,6 +95,8 @@ let full_run ?(start_dataserver=true) ezfio_filename  =
   in
   if (not (count 300)) then
     Watchdog.kill ();
+  *)
+  Time.pause (Time.Span.of_sec 3.);
      
 
   (* Start the qmc processes *)

ocaml/compile.sh

@@ -25,7 +25,7 @@ if [[ ${MD5} != ${REF} ]]
 then
   echo ${MD5} > ${LSMD5_FILE}
   echo Finding dependencies in OCaml files
-  python ./ninja_ocaml.py
+  python2 ./ninja_ocaml.py
 fi
 
 ninja ${@}

ocaml/ninja_ocaml.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python
+#!/usr/bin/env python2
 #
 #  Copyright 2015 Anthony Scemama
 #
@@ -218,7 +218,7 @@ GENERATED_NINJA=generated.ninja
 # Name of the auto-generated ninja file
 
 rule create_generated
-  command = python ./ninja_ocaml.py
+  command = python2 ./ninja_ocaml.py
   description = Finding dependencies between modules
 
 rule run_ninja

scripts/compile_irpf90.sh

@@ -33,7 +33,7 @@ then
   IRPF90_FLAGS="${IRPF90_FLAGS} --ninja"
 
   # Check IRPF90 version
-  if [[ $( ${IRPF90} -v | python -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
+  if [[ $( ${IRPF90} -v | python2 -c "import sys ; print float(sys.stdin.read().rsplit('.',1)[0]) >= 1.6") == False ]]
   then
     echo "IRPF90 version >= 1.6 required"
     exit -1

scripts/compile_ocaml_dep.sh

@@ -25,7 +25,7 @@ if [[ ${MD5} != ${REF} ]]
 then
   echo ${MD5} > ${LSMD5_FILE}
   echo Finding dependencies in OCaml files
-  python ./ninja_ocaml.py || exit -1
+  python2 ./ninja_ocaml.py || exit -1
 fi
 
 

scripts/create_properties_ezfio.py

@@ -1,4 +1,4 @@
-#!/usr/bin/env python
+#!/usr/bin/env python2
 #
 # Creates the properties.config file in the EZFIO directory. This is
 # done by reading all the properties written in the src/PROPERTIES

scripts/create_properties_python.py

@@ -1,4 +1,4 @@
-#!/usr/bin/python
+#!/usr/bin/env python2
 
 import string
 import os

src/PROPERTIES/properties.irp.f

@@ -1,4 +1,4 @@
-BEGIN_SHELL [ /usr/bin/env python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 import os
 from properties import properties
 root = os.environ['QMCCHEM_PATH']
@@ -59,7 +59,7 @@ END_SHELL
 ! DIMENSIONS
 !==========================================================================!
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 make_dims()
 END_SHELL

src/SAMPLING/block.irp.f

@@ -1,6 +1,6 @@
 ! Providers of *_block_walk
 !==============================
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 
 t = """

src/SAMPLING/dmc_step.irp.f

@@ -1,6 +1,6 @@
 ! Providers of *_dmc_block_walk
 !==============================
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 
 t = """
@@ -67,7 +67,7 @@ END_SHELL
 
  integer :: k, i_walk, i_step
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then
@@ -150,7 +150,7 @@ END_SHELL
    psi_value_save(i_walk) = psi_value
    E_loc_save(i_walk) = E_loc
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
      if (calc_$X) then
@@ -265,7 +265,7 @@ END_SHELL
  factor = 1.d0/block_weight
  SOFT_TOUCH block_weight
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then

src/SAMPLING/fkmc_step.irp.f

@@ -1,6 +1,6 @@
 ! Providers of *_fkmc_block_walk
 !==============================
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 
 t = """
@@ -77,7 +77,7 @@ END_SHELL
 
  integer :: k, i_walk, i_step
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then
@@ -173,7 +173,7 @@ END_SHELL
      psi_value_save(i_walk) = psi_value
      E_loc_save(i_walk) = E_loc
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
      if (calc_$X) then
@@ -339,7 +339,7 @@ END_SHELL
  factor = 1.d0/block_weight
  SOFT_TOUCH block_weight
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then

src/SAMPLING/pdmc_step.irp.f

@@ -1,6 +1,6 @@
 ! Providers of *_pdmc_block_walk
 !==============================
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 
 t = """
@@ -70,7 +70,7 @@ END_SHELL
 
  integer :: k, i_walk, i_step
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then
@@ -197,7 +197,7 @@ END_SHELL
 !      E_loc_zv(i+pdmc_n_diag+1) = pdmc_pop_weight_mult(i-1) * pdmc_weight(i_walk) * dmc_zv_weight
 !    enddo
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
      if (calc_$X) then
@@ -299,7 +299,7 @@ END_SHELL
  factor = 1.d0/block_weight
  SOFT_TOUCH block_weight
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then

src/SAMPLING/srmc_step.irp.f

@@ -1,6 +1,6 @@
 ! Providers of *_srmc_block_walk
 !==============================
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 
 t = """
@@ -72,7 +72,7 @@ END_SHELL
 
  integer :: k, i_walk, i_step
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then
@@ -100,9 +100,7 @@ END_SHELL
  block_weight = 0.d0
 
  real, external                 :: accep_rate
- double precision               :: delta, thr
-
- thr = 2.d0/time_step_sq
+ double precision               :: delta
 
  logical :: first_loop
  first_loop = .True.
@@ -143,7 +141,6 @@ END_SHELL
    logical                        :: accepted
    call brownian_step(p,q,accepted,delta_x)
 
-   if ( psi_value * psi_value_save(i_walk) >= 0.d0 ) then
 !    delta = (E_loc+E_loc_save(1,i_walk))*0.5d0
 !    delta = (5.d0 * E_loc + 8.d0 * E_loc_save(1,i_walk) - E_loc_save(2,i_walk))/12.d0
 
@@ -161,6 +158,11 @@ END_SHELL
        srmc_weight(i_walk) = 2.d0-dexp(dtime_step*delta)
      endif
 
+     ! Trick to avoid holes in DMC PES.
+     if (dabs(delta/E_ref) * time_step_sq > p ) then
+       srmc_weight(i_walk) = 1.d-1
+     endif
+
 
 !    if (accepted) then
 !      ! Compute correction to past weights
@@ -186,6 +188,8 @@ END_SHELL
 !      
 !    endif
 
+
+   if ( psi_value * psi_value_save(i_walk) >= 0.d0 ) then
      elec_coord(elec_num+1,1) += p*time_step
      elec_coord(elec_num+1,2)  = E_loc
      elec_coord(elec_num+1,3)  = srmc_weight(i_walk) * srmc_pop_weight_mult
@@ -210,7 +214,7 @@ END_SHELL
      endif
 
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
      if (calc_$X) then
@@ -260,6 +264,13 @@ END_SHELL
     srmc_projection_step = 1
   endif
 
+  if (srmc_pop_weight_mult > 1.d0/time_step_sq) then
+    srmc_pop_weight_mult = 1.d0
+  endif
+  if (srmc_pop_weight_mult < time_step_sq) then
+    srmc_pop_weight_mult = 1.d0
+  endif
+
   ! Eventually, recompute the weight of the population
   if (srmc_projection_step == 1) then
     srmc_pop_weight_mult = 1.d0
@@ -338,7 +349,7 @@ END_SHELL
  factor = 1.d0/block_weight
  SOFT_TOUCH block_weight
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then

src/SAMPLING/vmc_step.irp.f

@@ -1,6 +1,6 @@
 ! Providers of *_vmc_block_walk
 !==============================
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 
 t = """
@@ -39,7 +39,7 @@ END_SHELL
 
  PROVIDE time_step
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
   if (calc_$X) then
@@ -93,7 +93,7 @@ END_SHELL
      block_weight += 1.d0
    
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
      if (calc_$X) then
@@ -153,7 +153,7 @@ END_SHELL
  double precision               :: factor
  factor = 1.d0/block_weight
  SOFT_TOUCH block_weight
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 t = """
  if (calc_$X) then

src/ZMQ/qmc.irp.f

@@ -101,7 +101,7 @@ subroutine run_qmc(cpu0)
     call zmq_send_real(msg,elec_coord_full,size(elec_coord_full))
   endif
 
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 from properties import *
 
 derivlist = []

src/ZMQ/worker.irp.f

@@ -351,7 +351,7 @@ subroutine get_running(do_run)
     return
   else
 
-    timeout = 5 ! seconds
+    timeout = 600 ! seconds
    
     ! Polling items
     ! -------------

src/ZMQ/zmq_ezfio.irp.f

@@ -27,7 +27,7 @@ subroutine zmq_ezfio_has(cmd_in,exists)
   character*(4)                  :: buffer_size_char
   
   rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char,      &
-      len(buffer_size_char), ZMQ_SNDMORE)
+      len(buffer_size_char), 0)
   read(buffer_size_char(1:rc),*) buffer_size
   
   logical                        :: w
@@ -59,7 +59,7 @@ subroutine zmq_ezfio_get_logical(cmd_in,w,d)
   rc = f77_zmq_send(zmq_to_dataserver_socket, 'Ezfio', 5, ZMQ_SNDMORE)
   rc = f77_zmq_send(zmq_to_dataserver_socket, cmd, len_trim(cmd), 0)
 
-  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), ZMQ_SNDMORE)
+  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), 0)
   read(buffer_size_char(1:rc),*) buffer_size
   allocate (buffer(buffer_size+1))
   buffer = ' '
@@ -107,7 +107,7 @@ subroutine zmq_ezfio_get_double_precision(cmd_in,w,d)
   rc = f77_zmq_send(zmq_to_dataserver_socket, 'Ezfio', 5, ZMQ_SNDMORE)
   rc = f77_zmq_send(zmq_to_dataserver_socket, cmd, len_trim(cmd), 0)
   
-  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), ZMQ_SNDMORE)
+  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), 0)
   read(buffer_size_char(1:rc),*) buffer_size
   allocate (buffer(buffer_size+1))
   buffer = ' '
@@ -153,7 +153,7 @@ subroutine zmq_ezfio_get_integer(cmd_in,w,d)
   rc = f77_zmq_send(zmq_to_dataserver_socket, 'Ezfio', 5, ZMQ_SNDMORE)
   rc = f77_zmq_send(zmq_to_dataserver_socket, cmd, len_trim(cmd), 0)
   
-  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), ZMQ_SNDMORE)
+  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), 0)
   read(buffer_size_char(1:rc),*) buffer_size
   allocate (buffer(buffer_size+1))
   buffer = ' '
@@ -199,7 +199,7 @@ subroutine zmq_ezfio_get_integer8(cmd_in,w,d)
   rc = f77_zmq_send(zmq_to_dataserver_socket, 'Ezfio', 5, ZMQ_SNDMORE)
   rc = f77_zmq_send(zmq_to_dataserver_socket, cmd, len_trim(cmd), 0)
   
-  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), ZMQ_SNDMORE)
+  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), 0)
   read(buffer_size_char(1:rc),*) buffer_size
   allocate (buffer(buffer_size+1))
   buffer = ' '
@@ -247,7 +247,7 @@ subroutine zmq_ezfio_get_real(cmd_in,w,d)
   rc = f77_zmq_send(zmq_to_dataserver_socket, 'Ezfio', 5, ZMQ_SNDMORE)
   rc = f77_zmq_send(zmq_to_dataserver_socket, cmd, len_trim(cmd), 0)
   
-  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), ZMQ_SNDMORE)
+  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), 0)
   read(buffer_size_char(1:rc),*) buffer_size
   allocate (buffer(buffer_size+1))
   buffer = ' '
@@ -296,7 +296,7 @@ subroutine zmq_ezfio_get_character(cmd_in,w,d)
   rc = f77_zmq_send(zmq_to_dataserver_socket, 'Ezfio', 5, ZMQ_SNDMORE)
   rc = f77_zmq_send(zmq_to_dataserver_socket, cmd, len_trim(cmd), 0)
   
-  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), ZMQ_SNDMORE)
+  rc = f77_zmq_recv(zmq_to_dataserver_socket, buffer_size_char, len(buffer_size_char), 0)
   read(buffer_size_char(1:rc),*) buffer_size
   allocate (buffer(buffer_size+1))
   buffer = ' '

src/ezfio_interface.irp.f

@@ -1,4 +1,4 @@
-BEGIN_SHELL [ /usr/bin/python ]
+BEGIN_SHELL [ /usr/bin/env python2 ]
 
 data = [ \
 ("electrons_elec_coord_pool_size"  , "integer"       , "" ),

src/properties.py

@@ -1,4 +1,4 @@
-#!/usr/bin/python
+#!/usr/bin/python2
 
 import string
 import os