mirror of https://gitlab.com/QEF/q-e.git
Some max_second confusion cleaned up. It is still initialized in too
many different places, but at least to the same value (10^7 s) git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3980 c92efa57-630b-4861-b058-cf58834340f0
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@ -558,8 +558,8 @@
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frich = frich * greash
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frich = frich * greash
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! ... stop the code if either the file .cp_stop is present or the
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! ... stop the code if either the file .cp_stop is present or if
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! ... cpu time is greater than max_seconds
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! ... the cpu time exceeds the limit set in input (max_seconds)
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tstop = check_stop_now()
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tstop = check_stop_now()
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@ -32,7 +32,7 @@ MODULE path_routines
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USE input_parameters, ONLY : pos, CI_scheme, opt_scheme, num_of_images, &
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USE input_parameters, ONLY : pos, CI_scheme, opt_scheme, num_of_images, &
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first_last_opt, temp_req, ds, k_max, &
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first_last_opt, temp_req, ds, k_max, &
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k_min, path_thr, restart_mode, nstep, &
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k_min, path_thr, restart_mode, nstep, &
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calculation, max_seconds, use_freezing, &
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calculation, use_freezing, &
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phase_space, ion_dynamics, etot_conv_thr, &
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phase_space, ion_dynamics, etot_conv_thr, &
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forc_conv_thr
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forc_conv_thr
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!
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!
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@ -24,7 +24,6 @@ PROGRAM phcg
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REAL(DP), ALLOCATABLE :: dchi_dtau(:,:,:,:), dynout(:,:)
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REAL(DP), ALLOCATABLE :: dchi_dtau(:,:,:,:), dynout(:,:)
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REAL(DP), ALLOCATABLE :: w2(:)
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REAL(DP), ALLOCATABLE :: w2(:)
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REAL(DP):: max_seconds = 1.D+6
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CHARACTER(len=9) :: cdate, ctime, code = 'PHCG'
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CHARACTER(len=9) :: cdate, ctime, code = 'PHCG'
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LOGICAL :: exst
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LOGICAL :: exst
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INTEGER :: i
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INTEGER :: i
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@ -138,7 +138,7 @@ SUBROUTINE phq_readin()
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elph = .FALSE.
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elph = .FALSE.
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lraman = .FALSE.
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lraman = .FALSE.
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elop = .FALSE.
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elop = .FALSE.
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max_seconds = 10000000.D0
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max_seconds = 1.E+7_DP
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reduce_io = .FALSE.
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reduce_io = .FALSE.
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CALL get_env( 'ESPRESSO_TMPDIR', outdir )
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CALL get_env( 'ESPRESSO_TMPDIR', outdir )
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IF ( TRIM( outdir ) == ' ' ) outdir = './'
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IF ( TRIM( outdir ) == ' ' ) outdir = './'
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@ -18,7 +18,6 @@ SUBROUTINE phqscf
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!
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!
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USE io_global, ONLY : stdout, ionode
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USE io_global, ONLY : stdout, ionode
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! USE check_stop, ONLY: max_seconds
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USE pwcom
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USE pwcom
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USE kinds, ONLY : DP
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USE kinds, ONLY : DP
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USE phcom
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USE phcom
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@ -90,7 +89,6 @@ SUBROUTINE phqscf
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ENDIF
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ENDIF
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!
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!
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tcpu = get_clock ('PHONON')
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tcpu = get_clock ('PHONON')
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! if (tcpu > max_second) then
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!
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!
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! We test here if we have done the appropriate number of
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! We test here if we have done the appropriate number of
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! representation
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! representation
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@ -26,7 +26,7 @@ subroutine solve_e_vdw ( iu )
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USE io_global, ONLY : stdout
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USE io_global, ONLY : stdout
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USE io_files, ONLY : iunigk, prefix, iunwfc, nwordwfc
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USE io_files, ONLY : iunigk, prefix, iunwfc, nwordwfc
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use pwcom
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use pwcom
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USE check_stop, ONLY : time_max => max_seconds
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USE check_stop, ONLY : check_stop_now
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! USE wavefunctions_module, ONLY : evc
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! USE wavefunctions_module, ONLY : evc
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USE kinds, ONLY : DP
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USE kinds, ONLY : DP
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USE becmod, ONLY : becp
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USE becmod, ONLY : becp
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@ -400,16 +400,14 @@ subroutine solve_e_vdw ( iu )
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! close (unit = iunrec, status = 'keep')
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! close (unit = iunrec, status = 'keep')
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tcpu = get_clock ('VdW')
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tcpu = get_clock ('VdW')
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if (convt.or.tcpu.gt.time_max) goto 155
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if (check_stop_now()) then
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call stop_ph (.false.)
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endif
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if (convt) goto 155
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enddo ! of iteration
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enddo ! of iteration
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!
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!
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155 continue
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155 continue
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if (tcpu.gt.time_max) then
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WRITE( stdout, "(/,5x,'Stopping for time limit ',2f10.0)") tcpu, &
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time_max
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call stop_ph (.false.)
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endif
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!
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!
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deallocate (eprec)
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deallocate (eprec)
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deallocate (h_diag)
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deallocate (h_diag)
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