(-i) and (-o) are now mandatory. No more < and >.

IO_kernel/fetch_input.f90

+!
+! Copyright (C) 2015-2016 M. Govoni 
+! This file is distributed under the terms of the
+! GNU General Public License. See the file `License'
+! in the root directory of the present distribution,
+! or http://www.gnu.org/copyleft/gpl.txt .
+!
+! This file is part of WEST.
+!
+! Contributors to this file: 
+! Marco Govoni
+!
+!-----------------------------------------------------------------------
+SUBROUTINE fetch_input( num_drivers, driver )
+  !-----------------------------------------------------------------------
+  !
+  USE json_module
+  USE pwcom
+  USE westcom
+  USE io_files,         ONLY : tmp_dir, prefix
+  USE io_global,        ONLY : stdout
+  USE mp,               ONLY : mp_bcast
+  USE mp_world,         ONLY : mpime,root,world_comm
+  USE mp_global,        ONLY : nimage
+  USE io_push,          ONLY : io_push_title,io_push_value,io_push_bar,io_push_es0,io_push_c256 
+  !
+  IMPLICIT NONE
+  !
+  ! I/O
+  !
+  INTEGER, INTENT(IN) :: num_drivers
+  INTEGER, INTENT(IN) :: driver(num_drivers)
+  !
+  ! Workspace
+  !
+  type(json_file) :: json
+  INTEGER :: i
+  INTEGER :: iiarg, nargs
+  INTEGER :: numsp
+  LOGICAL :: found
+  CHARACTER (LEN=256) :: input_file
+  CHARACTER(LEN=256), EXTERNAL :: trimcheck
+  CHARACTER(LEN=:),ALLOCATABLE :: cval
+  REAL(DP) :: rval 
+  INTEGER :: ival 
+  LOGICAL :: lval 
+  ! 
+  CALL start_clock('fetch_input')
+  !
+  ! Input from (-i), output from (-o) 
+  !
+  CALL parse_command_arguments()
+  !
+  ! PRESETS
+  !
+  ! ** input_west **
+     qe_prefix = 'pwscf'
+     west_prefix = 'west'
+     CALL get_environment_variable( 'ESPRESSO_TMPDIR', outdir )
+     IF ( trim( outdir ) == ' ' ) outdir = './'
+  !
+  ! ** wstat_control **
+     wstat_calculation        = 'S'
+     n_pdep_eigen             = 1
+     n_pdep_times             = 4
+     n_pdep_maxiter           = 100
+     n_dfpt_maxiter           = 250
+     n_pdep_read_from_file    = 0
+     trev_pdep                = 1.d-3
+     trev_pdep_rel            = 1.d-1
+     tr2_dfpt                 = 1.d-12
+     l_kinetic_only           = .false.
+     l_minimize_exx_if_active = .false. 
+     l_use_ecutrho            = .false.
+  !
+  ! ** wfreq_control **
+     wfreq_calculation       = 'XWGQ'
+     n_pdep_eigen_to_use     = 2
+     qp_bandrange            = (/ 1, 2 /)
+     macropol_calculation    = 'N'
+     n_lanczos               = 20
+     n_imfreq                = 10
+     n_refreq                = 10
+     ecut_imfreq             = 1._DP
+     ecut_refreq             = 2._DP
+     wfreq_eta               = 0.003675_DP
+     n_secant_maxiter        = 1
+     trev_secant             = 0.003675_DP
+     l_enable_lanczos        = .TRUE.
+     l_enable_gwetot         = .FALSE.
+     div_kind_hf             = 2 
+     o_restart_time          = 0._DP
+     ecut_spectralf          = (/ -2._DP, 2._DP /)
+     n_spectralf             = 10
+  ! 
+  ! ** westpp_control **
+     westpp_calculation         = 'r'
+     westpp_range               = (/ 1, 2 /)
+     westpp_format              = 'C'
+     westpp_sign                = .FALSE.
+     westpp_n_pdep_eigen_to_use = 1
+     westpp_r0                  = (/ 0.d0, 0.d0, 0.d0 /)
+     westpp_nr                  = 100
+     westpp_rmax                = 1.d0
+     westpp_epsinfty            = 1.d0
+  !
+  ! READ the input
+  !
+  IF ( mpime==root ) THEN 
+     !
+     !
+     CALL json%initialize()
+     CALL json%load_file( filename = main_input_file )
+     ! if (json%failed())
+     !
+     IF ( ANY(driver(:)==1) ) THEN 
+        CALL json%get('input_west.qe_prefix', cval, found)
+        IF( found ) qe_prefix = cval  
+        CALL json%get('input_west.west_prefix', cval, found) 
+        IF( found )  west_prefix = cval  
+        CALL json%get('input_west.outdir', cval, found) 
+        IF( found ) outdir = cval  
+     ENDIF
+     !
+     IF ( ANY(driver(:)==2) ) THEN 
+        CALL json%get('wstat_control.wstat_calculation', cval, found) 
+        IF( found ) wstat_calculation = cval  
+        CALL json%get('wstat_control.n_pdep_eigen', ival, found) 
+        IF( found ) n_pdep_eigen = ival  
+        CALL json%get('wstat_control.n_pdep_times', ival, found) 
+        IF( found ) n_pdep_times = ival  
+        CALL json%get('wstat_control.n_pdep_maxiter', ival, found) 
+        IF( found ) n_pdep_maxiter = ival  
+        CALL json%get('wstat_control.n_dfpt_maxiter', ival, found) 
+        IF( found ) n_dfpt_maxiter = ival  
+        CALL json%get('wstat_control.n_pdep_read_from_file', ival, found) 
+        IF( found ) n_pdep_read_from_file = ival  
+        CALL json%get('wstat_control.trev_pdep', rval, found) 
+        IF( found ) trev_pdep = rval  
+        CALL json%get('wstat_control.trev_pdep_rel', rval, found) 
+        IF( found ) trev_pdep_rel = rval  
+        CALL json%get('wstat_control.tr2_dfpt', rval, found) 
+        IF( found ) tr2_dfpt = rval  
+        CALL json%get('wstat_control.l_kinetic_only', lval, found) 
+        IF( found ) l_kinetic_only = lval  
+        CALL json%get('wstat_control.l_minimize_exx_if_active', lval, found) 
+        IF( found ) l_minimize_exx_if_active = lval  
+        CALL json%get('wstat_control.l_use_ecutrho', lval, found) 
+        IF( found ) l_use_ecutrho = lval  
+     ENDIF
+     !
+     IF ( ANY(driver(:)==3) ) THEN 
+        CALL json%get('wfreq_control.wfreq_calculation', cval, found)
+        IF( found ) wfreq_calculation = cval  
+        CALL json%get('wfreq_control.n_pdep_eigen_to_use', ival, found) 
+        IF( found ) n_pdep_eigen_to_use = ival  
+        CALL json%get('wfreq_control.qp_bandrange(1)', rval, found) 
+        IF( found ) qp_bandrange(1) = rval  
+        CALL json%get('wfreq_control.qp_bandrange(2)', rval, found) 
+        IF( found ) qp_bandrange(2) = rval  
+        CALL json%get('wfreq_control.macropol_calculation', cval, found) 
+        IF( found ) macropol_calculation = cval  
+        CALL json%get('wfreq_control.n_lanczos', ival, found) 
+        IF( found ) n_lanczos = ival  
+        CALL json%get('wfreq_control.n_imfreq', ival, found) 
+        IF( found ) n_imfreq = ival  
+        CALL json%get('wfreq_control.n_refreq', ival, found) 
+        IF( found ) n_refreq = ival  
+        CALL json%get('wfreq_control.ecut_imfreq', rval, found) 
+        IF( found ) ecut_imfreq = rval  
+        CALL json%get('wfreq_control.ecut_refreq', rval, found) 
+        IF( found ) ecut_refreq = rval  
+        CALL json%get('wfreq_control.wfreq_eta', rval, found) 
+        IF( found ) wfreq_eta = rval  
+        CALL json%get('wfreq_control.n_secant_maxiter', ival, found) 
+        IF( found ) n_secant_maxiter = ival  
+        CALL json%get('wfreq_control.trev_secant', rval, found) 
+        IF( found ) trev_secant = rval  
+        CALL json%get('wfreq_control.l_enable_lanczos', lval, found) 
+        IF( found ) l_enable_lanczos = lval  
+        CALL json%get('wfreq_control.l_enable_gwetot', lval, found) 
+        IF( found ) l_enable_gwetot = lval  
+        CALL json%get('wfreq_control.div_kind_hf', ival, found) 
+        IF( found ) div_kind_hf = ival  
+        CALL json%get('wfreq_control.o_restart_time', rval, found) 
+        IF( found ) o_restart_time = rval  
+        CALL json%get('wfreq_control.ecut_spectralf(1)', rval, found) 
+        IF( found ) ecut_spectralf(1) = rval  
+        CALL json%get('wfreq_control.ecut_spectralf(2)', rval, found) 
+        IF( found ) ecut_spectralf(2) = rval  
+        CALL json%get('wfreq_control.n_spectralf', ival, found) 
+        IF( found ) n_spectralf = ival  
+     ENDIF
+     !
+     IF ( ANY(driver(:)==4) ) THEN 
+        CALL json%get('westpp_control.westpp_calculation', cval, found) 
+        IF( found ) westpp_calculation = cval
+        CALL json%get('westpp_control.westpp_range(1)', rval, found) 
+        IF( found ) westpp_range(1) = rval  
+        CALL json%get('westpp_control.westpp_range(2)', rval, found) 
+        IF( found ) westpp_range(2) = rval  
+        CALL json%get('westpp_control.westpp_format', cval, found) 
+        IF( found ) westpp_format = cval
+        CALL json%get('westpp_control.westpp_sign', lval, found) 
+        IF( found ) westpp_sign = lval  
+        CALL json%get('westpp_control.westpp_n_pdep_eigen_to_use', ival, found) 
+        IF( found ) westpp_n_pdep_eigen_to_use = ival  
+        CALL json%get('westpp_control.westpp_r0(1)', rval, found) 
+        IF( found ) westpp_r0(1) = rval  
+        CALL json%get('westpp_control.westpp_r0(2)', rval, found) 
+        IF( found ) westpp_r0(2) = rval  
+        CALL json%get('westpp_control.westpp_r0(3)', rval, found) 
+        IF( found ) westpp_r0(3) = rval  
+        CALL json%get('westpp_control.westpp_nr', ival, found) 
+        IF( found ) westpp_nr = ival  
+        CALL json%get('westpp_control.westpp_rmax', rval, found) 
+        IF( found ) westpp_rmax = rval  
+        CALL json%get('westpp_control.westpp_epsinfty', rval, found) 
+        IF( found ) westpp_epsinfty = rval  
+     ENDIF
+     !
+     CALL json%destroy()
+     !
+  ENDIF
+  !
+  ! BCAST and REPORT
+  !
+  IF ( ANY(driver(:)==1) ) THEN
+     !
+     ! BCAST
+     !
+     CALL mp_bcast(qe_prefix,root,world_comm)
+     prefix=qe_prefix
+     CALL mp_bcast(west_prefix,root,world_comm)
+     tmp_dir = trimcheck (outdir)
+     CALL mp_bcast(tmp_dir,root,world_comm)
+     !
+     ! REPORT
+     !
+     CALL io_push_title("I/O Summary : input_west")
+     !
+     numsp = 14
+     CALL io_push_c256('qe_prefix',qe_prefix,numsp)
+     CALL io_push_c256('west_prefix',qe_prefix,numsp)
+     CALL io_push_c256('outdir',outdir,numsp)
+     !
+     CALL io_push_bar()
+     !
+  ENDIF
+  !
+  IF ( ANY(driver(:)==2) ) THEN
+     !
+     ! BCAST
+     !
+     CALL mp_bcast(wstat_calculation,root,world_comm)
+     CALL mp_bcast(n_pdep_eigen,root,world_comm)
+     CALL mp_bcast(n_pdep_times,root,world_comm)
+     CALL mp_bcast(n_pdep_maxiter,root,world_comm)
+     CALL mp_bcast(n_dfpt_maxiter,root,world_comm)
+     CALL mp_bcast(n_pdep_read_from_file,root,world_comm)
+     CALL mp_bcast(trev_pdep,root,world_comm)
+     CALL mp_bcast(trev_pdep_rel,root,world_comm)
+     CALL mp_bcast(tr2_dfpt,root,world_comm)
+     CALL mp_bcast(l_kinetic_only,root,world_comm)
+     CALL mp_bcast(l_minimize_exx_if_active,root,world_comm)
+     CALL mp_bcast(l_use_ecutrho,root,world_comm)
+     !
+     ! REPORT
+     !
+     CALL io_push_title('I/O Summary : wstat_control')
+     !
+     numsp=30
+     CALL io_push_value('wstat_calculation',wstat_calculation,numsp)
+     CALL io_push_value('n_pdep_eigen',n_pdep_eigen,numsp)
+     CALL io_push_value('n_pdep_times',n_pdep_times,numsp)
+     CALL io_push_value('n_pdep_maxiter',n_pdep_maxiter,numsp)
+     CALL io_push_value('n_dfpt_maxiter',n_dfpt_maxiter,numsp)
+     CALL io_push_value('n_pdep_read_from_file',n_pdep_read_from_file,numsp)
+     CALL io_push_es0('trev_pdep',trev_pdep,numsp)
+     CALL io_push_es0('trev_pdep_rel',trev_pdep_rel,numsp)
+     CALL io_push_es0('tr2_dfpt',tr2_dfpt,numsp)
+     CALL io_push_value('l_kinetic_only',l_kinetic_only,numsp)
+     CALL io_push_value('l_minimize_exx_if_active',l_minimize_exx_if_active,numsp)
+     CALL io_push_value('l_use_ecutrho',l_use_ecutrho,numsp)
+     !
+     CALL io_push_bar()
+     !
+     ! CHECKS 
+     !
+     SELECT CASE(wstat_calculation) 
+     CASE('r','R','s','S')
+     CASE DEFAULT
+        CALL errore('fetch_input','Err: wstat_calculation /= S or R',1)
+     END SELECT
+     !
+     IF( n_pdep_times < 2 ) CALL errore('fetch_input','Err: n_pdep_times<2',1) 
+     IF( n_pdep_eigen < 1 ) CALL errore('fetch_input','Err: n_pdep_eigen<1',1)
+     IF( n_pdep_eigen*n_pdep_times < nimage ) CALL errore('fetch_input','Err: n_pdep_eigen*n_pdep_times<nimage',1) 
+     IF( n_pdep_maxiter < 1 ) CALL errore('fetch_input','Err: n_pdep_maxiter<1',1) 
+     IF( n_dfpt_maxiter < 1 ) CALL errore('fetch_input','Err: n_dfpt_maxiter<1',1) 
+     IF( n_pdep_read_from_file < 0 ) CALL errore('fetch_input','Err: n_pdep_read_from_file<0',1) 
+     IF( n_pdep_read_from_file > n_pdep_eigen ) CALL errore('fetch_input','Err: n_pdep_read_from_file>n_pdep_eigen',1) 
+     IF(tr2_dfpt<=0._DP) CALL errore('fetch_input','Err: tr2_dfpt<0.',1)
+     IF(trev_pdep<=0._DP) CALL errore('fetch_input','Err: trev_pdep<0.',1)
+     IF(trev_pdep_rel<=0._DP) CALL errore('fetch_input','Err: trev_pdep_rel<0.',1)
+     !
+  ENDIF
+  !
+  IF ( ANY(driver(:)==3) ) THEN
+     !
+     ! BCAST
+     !
+     CALL mp_bcast(wfreq_calculation,root,world_comm)
+     CALL mp_bcast(n_pdep_eigen_to_use,root,world_comm)
+     CALL mp_bcast(qp_bandrange,root,world_comm)
+     CALL mp_bcast(macropol_calculation,root,world_comm)
+     CALL mp_bcast(n_lanczos,root,world_comm)
+     CALL mp_bcast(n_imfreq,root,world_comm)
+     CALL mp_bcast(n_refreq,root,world_comm)
+     CALL mp_bcast(ecut_imfreq,root,world_comm)
+     CALL mp_bcast(ecut_refreq,root,world_comm)
+     CALL mp_bcast(wfreq_eta,root,world_comm)
+     CALL mp_bcast(n_secant_maxiter,root,world_comm)
+     CALL mp_bcast(trev_secant,root,world_comm)
+     CALL mp_bcast(l_enable_lanczos,root,world_comm)
+     CALL mp_bcast(l_enable_gwetot,root,world_comm)
+     CALL mp_bcast(div_kind_hf,root,world_comm)
+     CALL mp_bcast(o_restart_time,root,world_comm)
+     CALL mp_bcast(ecut_spectralf,root,world_comm)
+     CALL mp_bcast(n_spectralf,root,world_comm)
+     !
+     ! DISPLAY
+     !
+     CALL io_push_title('I/O Summary : wfreq_control')
+     !
+     numsp=40
+     CALL io_push_value('wfreq_calculation',wfreq_calculation,numsp)
+     CALL io_push_value('n_pdep_eigen_to_use',n_pdep_eigen_to_use,numsp)
+     CALL io_push_value('qp_bandrange(1)',qp_bandrange(1),numsp)
+     CALL io_push_value('qp_bandrange(2)',qp_bandrange(2),numsp)
+     CALL io_push_value('macropol_calculation',macropol_calculation,numsp)
+     CALL io_push_value('n_lanczos',n_lanczos,numsp)
+     CALL io_push_value('n_imfreq',n_imfreq,numsp)
+     CALL io_push_value('n_refreq',n_refreq,numsp)
+     CALL io_push_value('ecut_imfreq [Ry]',ecut_imfreq,numsp)
+     CALL io_push_value('ecut_refreq [Ry]',ecut_refreq,numsp)
+     CALL io_push_value('wfreq_eta [Ry]',wfreq_eta,numsp)
+     CALL io_push_value('n_secant_maxiter',n_secant_maxiter,numsp)
+     CALL io_push_value('trev_secant [Ry]',trev_secant,numsp)
+     CALL io_push_value('l_enable_lanczos',l_enable_lanczos,numsp)
+     CALL io_push_value('l_enable_gwetot',l_enable_gwetot,numsp)
+     CALL io_push_value('div_kind_hf',div_kind_hf,numsp)
+     CALL io_push_value('o_restart_time [min]',o_restart_time,numsp)
+     CALL io_push_value('ecut_spectralf(1) [Ry]',ecut_spectralf(1),numsp)
+     CALL io_push_value('ecut_spectralf(2) [Ry]',ecut_spectralf(2),numsp)
+     CALL io_push_value('n_spectralf',n_spectralf,numsp)
+     !
+     CALL io_push_bar()
+     !
+     ! CHECKS 
+     !
+     IF( n_lanczos < 2 ) CALL errore('fetch_input','Err: n_lanczos<2',1) 
+     IF( n_pdep_eigen_to_use < 1 ) CALL errore('fetch_input','Err: n_pdep_eigen_to_use<1',1) 
+     IF( n_pdep_eigen_to_use > n_pdep_eigen ) CALL errore('fetch_input','Err: n_pdep_eigen_to_use>n_pdep_eigen',1) 
+     IF( n_imfreq < 1 ) CALL errore('fetch_input','Err: n_imfreq<1',1) 
+     IF( n_refreq < 1 ) CALL errore('fetch_input','Err: n_refreq<1',1) 
+     IF( n_spectralf < 2 ) CALL errore('fetch_input','Err: n_spectralf<1',1) 
+     IF( qp_bandrange(1) < 1 ) CALL errore('fetch_input','Err: qp_bandrange(1)<1',1) 
+     IF( qp_bandrange(2) < 1 ) CALL errore('fetch_input','Err: qp_bandrange(2)<1',1) 
+     IF( qp_bandrange(2) < qp_bandrange(1) ) CALL errore('fetch_input','Err: qp_bandrange(2)<qp_bandrange(1)',1) 
+     IF( ecut_imfreq<=0._DP) CALL errore('fetch_input','Err: ecut_imfreq<0.',1)
+     IF( ecut_refreq<=0._DP) CALL errore('fetch_input','Err: ecut_imfreq<0.',1)
+     IF( ecut_spectralf(2)<ecut_spectralf(1)) CALL errore('fetch_input','Err: ecut_spectralf(2)<ecut_spectralf(1)',1)
+     IF( wfreq_eta<=0._DP) CALL errore('fetch_input','Err: wfreq_eta<0.',1)
+     IF( n_secant_maxiter < 1 ) CALL errore('fetch_input','Err: n_secant_maxiter<1',1) 
+     IF( trev_secant<=0._DP) CALL errore('fetch_input','Err: trev_secant<0.',1)
+     SELECT CASE(macropol_calculation) 
+     CASE('N','n','C','c')
+     CASE DEFAULT
+        CALL errore('fetch_input','Err: macropol_calculation /= (N,C)',1)
+     END SELECT
+     !
+  ENDIF
+  !
+  IF ( ANY(driver(:)==4) ) THEN
+     !
+     ! BCAST
+     !
+     CALL mp_bcast(westpp_calculation,root,world_comm)
+     CALL mp_bcast(westpp_range,root,world_comm)
+     CALL mp_bcast(westpp_format,root,world_comm)
+     CALL mp_bcast(westpp_sign,root,world_comm)
+     CALL mp_bcast(westpp_n_pdep_eigen_to_use,root,world_comm)
+     CALL mp_bcast(westpp_r0,root,world_comm)
+     CALL mp_bcast(westpp_nr,root,world_comm)
+     CALL mp_bcast(westpp_rmax,root,world_comm)
+     CALL mp_bcast(westpp_epsinfty,root,world_comm)
+     !
+     ! REPORT
+     !
+     CALL io_push_title('I/O Summary : westpp_control')
+     !
+     numsp=40
+     CALL io_push_value('westpp_calculation',westpp_calculation,numsp)
+     CALL io_push_value('westpp_range(1)',westpp_range(1),numsp)
+     CALL io_push_value('westpp_range(2)',westpp_range(2),numsp)
+     CALL io_push_value('westpp_format',westpp_format,numsp)
+     CALL io_push_value('westpp_sign',westpp_sign,numsp)
+     CALL io_push_value('westpp_n_pdep_eigen_to_use',westpp_n_pdep_eigen_to_use,numsp)
+     CALL io_push_value('westpp_r0(1)',westpp_r0(1),numsp)
+     CALL io_push_value('westpp_r0(2)',westpp_r0(2),numsp)
+     CALL io_push_value('westpp_r0(3)',westpp_r0(3),numsp)
+     CALL io_push_value('westpp_nr',westpp_nr,numsp)
+     CALL io_push_value('westpp_rmax',westpp_rmax,numsp)
+     CALL io_push_value('westpp_epsinfty',westpp_epsinfty,numsp)
+     !
+     CALL io_push_bar()
+     !
+     ! CHECKS 
+     !
+     IF( westpp_range(1) < 1 ) CALL errore('fetch_input','Err: westpp_range(1)<1',1)
+     IF( westpp_range(2) < 1 ) CALL errore('fetch_input','Err: westpp_range(2)<1',1)
+     IF( westpp_range(2) < westpp_range(1) ) CALL errore('fetch_input','Err: westpp_range(2)<westpp_range(1)',1)
+     IF( westpp_nr < 1 ) CALL errore('fetch_input','Err: westpp_nr<1',1)
+     IF( westpp_n_pdep_eigen_to_use < 1 ) CALL errore('fetch_input','Err: westpp_n_pdep_eigen_to_use<1',1)
+     IF( westpp_rmax < 0.d0 ) CALL errore('fetch_input','Err: westpp_rmax<0',1)
+     IF( westpp_epsinfty < 1.d0 ) CALL errore('fetch_input','Err: westpp_epsinfty<1',1)
+     !
+  ENDIF
+  !
+  CALL stop_clock('fetch_input')
+  !
+END SUBROUTINE

Modules/westcom.f90

@@ -69,6 +69,8 @@ MODULE westin
   CHARACTER(LEN=256) :: outdir
   CHARACTER(LEN=256) :: qe_prefix
   !
+  CHARACTER(LEN=256) :: main_input_file, main_output_file
+  !
 END MODULE  
 !
 !

Tools/Makefile

@@ -15,6 +15,7 @@ exx_go.o \
 exx_ungo.o \
 report_dynamical_memory.o \
 io_push.o \
+parse_command_arguments.o \
 set_dirs.o \
 do_setup.o \
 linear_algebra_kernel.o \

Tools/parse_command_arguments.f90

+!
+! Copyright (C) 2015-2016 M. Govoni 
+! This file is distributed under the terms of the
+! GNU General Public License. See the file `License'
+! in the root directory of the present distribution,
+! or http://www.gnu.org/copyleft/gpl.txt .
+!
+! This file is part of WEST.
+!
+! Contributors to this file: 
+! Marco Govoni
+!
+!-----------------------------------------------------------------------
+SUBROUTINE parse_command_arguments( )
+  !-----------------------------------------------------------------------
+  !
+  USE westcom,                ONLY : main_input_file, main_output_file
+  !
+  IMPLICIT NONE
+  !
+  INTEGER :: nargs, iiarg
+  LOGICAL :: ifound, ofound
+  CHARACTER(LEN=256) :: string
+  !
+  ifound = .FALSE.
+  ofound = .FALSE.
+  !
+  nargs = command_argument_count()
+  string = ' '
+  !
+  DO iiarg = 1, ( nargs - 1 )
+     !
+     CALL get_command_argument( iiarg, string )
+     !
+     IF ( .NOT. ifound .AND. TRIM( string ) == '-i' ) THEN
+        CALL get_command_argument( ( iiarg + 1 ) , main_input_file )
+        ifound =.TRUE.
+     ENDIF
+     !
+     IF ( .NOT. ofound .AND. TRIM( string ) == '-o' ) THEN
+        CALL get_command_argument( ( iiarg + 1 ) , main_output_file )
+        ofound =.TRUE.
+     ENDIF
+     !
+     IF( ifound .AND. ofound ) EXIT 
+     !
+  ENDDO
+  !
+  IF( .NOT. ifound ) CALL errore('parse_cmd','Cannot find input file (-i)',1)
+  IF( .NOT. ofound ) CALL errore('parse_cmd','Cannot find output file (-o)',1)
+  !
+END SUBROUTINE

Westpp/Makefile

@@ -5,6 +5,7 @@ include ../../make.inc
 # location of needed modules
 MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules $(MOD_FLAG)../../LAXlib \
           $(MOD_FLAG)../../FFTXlib $(MOD_FLAG)../../PW/src \
+          $(MOD_FLAG)../Libraries/Json \
           $(MOD_FLAG)../Modules \
           $(MOD_FLAG)../Tools \
           $(MOD_FLAG)../FFT_kernel \
@@ -30,7 +31,7 @@ do_sxx.o \
 westpp.o
 
 PWOBJS = ../../PW/src/libpw.a
-QEMODS = ../../Modules/libqemod.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a
+QEMODS = ../../Modules/libqemod.a ../../FFTXlib/libqefft.a ../../LAXlib/libqela.a ../Libraries/Json/libjson.a
 WESTLIBS = \
 ../DFPT_kernel/lib_dfpt_kernel.a \
 ../IO_kernel/lib_io_kernel.a \