mirror of https://gitlab.com/QEF/q-e.git
Limited support to disk_io fine control like in pwscf. Currently only 'reduced'
is supported, which prevents any restart file to be written on disk. Will definetely work more on that git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7568 c92efa57-630b-4861-b058-cf58834340f0
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@ -30,6 +30,7 @@ subroutine bcast_lr_input
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!
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!
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call mp_barrier()
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call mp_bcast (lr_io_level, ionode_id )
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call mp_bcast (itermax, ionode_id )
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call mp_bcast (itermax_int, ionode_id )
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call mp_bcast (charge_response, ionode_id )
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@ -21,7 +21,7 @@ PROGRAM lr_main
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n_ipol, d0psi, rho_1_tot, rho_1_tot_im,&
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LR_iteration, LR_polarization, &
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plot_type, no_hxc, nbnd_total, project, F,R, &
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itermax_int
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itermax_int, lr_io_level
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USE io_files, ONLY : nd_nmbr
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USE global_version, ONLY : version_number
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USE charg_resp, ONLY : lr_calc_w_T, read_wT_beta_gamma_z, &
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@ -249,7 +249,7 @@ PROGRAM lr_main
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!
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call one_lanczos_step()
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!
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IF ( mod(LR_iteration,restart_step)==0 .OR. LR_iteration==itermax .OR. LR_iteration==1 ) CALL lr_write_restart()
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IF ( lr_io_level > 0 .and. (mod(LR_iteration,restart_step)==0 .OR. LR_iteration==itermax .OR. LR_iteration==1) ) CALL lr_write_restart()
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END DO lancz_loop1
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!
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if (charge_response == 1 ) then
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@ -47,10 +47,13 @@ subroutine lr_readin
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implicit none
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!
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character(len=256) :: beta_gamma_z_prefix
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! fine control of beta_gamma_z file
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CHARACTER(len=80) :: disk_io
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! Specify the amount of I/O activities
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integer :: ios, iunout,ierr,ipol
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logical :: auto_rs
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!
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namelist / lr_input / restart, restart_step ,lr_verbosity, prefix, outdir, test_case_no, wfcdir
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namelist / lr_input / restart, restart_step ,lr_verbosity, prefix, outdir, test_case_no, wfcdir,disk_io
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namelist / lr_control / itermax, ipol, ltammd, real_space, real_space_debug, charge_response, tqr, auto_rs, no_hxc,n_ipol,project
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namelist / lr_post / omeg, beta_gamma_z_prefix, w_T_npol, plot_type, epsil,itermax_int
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!
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@ -69,6 +72,7 @@ subroutine lr_readin
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restart_step = itermax+1
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lr_verbosity = 1
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prefix = 'pwscf'
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disk_io = 'default'
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ltammd = .false.
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ipol = 1
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n_ipol=1
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@ -85,7 +89,7 @@ subroutine lr_readin
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epsil=0.0
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w_T_npol=1
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plot_type=1
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project=.false.
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project=.false.
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!terminator="no"
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!grid_coarsening = 1
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!
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@ -157,6 +161,20 @@ subroutine lr_readin
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!
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end if
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if (itermax_int < itermax) itermax_int=itermax
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!
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! Limited disk_io support: currently only one setting is supported
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!
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SELECT CASE( trim( disk_io ) )
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CASE ( 'reduced' )
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!
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lr_io_level = -1
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restart = .false.
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!
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CASE DEFAULT
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!
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lr_io_level = 1
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END SELECT
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#ifdef __PARA
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end if
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call bcast_lr_input
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@ -173,8 +191,6 @@ subroutine lr_readin
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WRITE(stdout,'(5x,"Status of real space flags: TQR=", L5 ," REAL_SPACE=", L5)') tqr, real_space
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endif
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!print *, "rs_status-ended"
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! Here we finished the reading of the input file.
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! Now PWSCF XML file will be read, and various initialisations will be done
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!
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!print *, "newd"
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@ -149,6 +149,7 @@ module lr_variables
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integer :: lr_verbosity ! verbosity level for linear response routines
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!
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integer :: test_case_no = 0 ! OBM, this dummy variable performs various tests
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integer :: lr_io_level = 1 ! Controls disk io
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!
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! lr_control:
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