mirror of https://gitlab.com/QEF/q-e.git
c functions cclock and scnds called via iso_c_binding
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13601 c92efa57-630b-4861-b058-cf58834340f0
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@ -176,7 +176,7 @@ MODULE cp_restart
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REAL(DP) :: nelec
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REAL(DP) :: scalef
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LOGICAL :: lsda
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REAL(DP) :: s0, s1, cclock
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REAL(DP) :: s0, s1
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INTEGER :: nbnd_tot
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INTEGER :: natomwfc, nbnd_
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REAL(DP), ALLOCATABLE :: mrepl(:,:)
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@ -185,6 +185,13 @@ MODULE cp_restart
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INTEGER :: inlc
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CHARACTER(iotk_attlenx) :: attr
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REAL(DP), ALLOCATABLE :: temp_vec(:), wfc_temp(:,:) ! BS
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INTERFACE
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FUNCTION cclock ( ) BIND(C,name="cclock") RESULT(t)
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USE ISO_C_BINDING
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REAL(kind=c_double) :: t
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END FUNCTION cclock
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END INTERFACE
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!
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!
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k1 = 0
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k2 = 0
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@ -166,7 +166,7 @@ MODULE cp_restart_new
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REAL(DP) :: wk_(2), nelec
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REAL(DP) :: scalef
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LOGICAL :: lsda
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REAL(DP) :: s0, s1, cclock
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REAL(DP) :: s0, s1
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INTEGER :: natomwfc, nbnd_, nb, ib
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REAL(DP), ALLOCATABLE :: mrepl(:,:)
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LOGICAL :: exst
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@ -178,7 +178,7 @@ MODULE cp_restart_new
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!
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! ... subroutine body
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!
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s0 = cclock()
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CALL start_clock('restart')
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!
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IF( force_pairing ) &
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CALL errore('cp_writefile',' force pairing not implemented', 1 )
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@ -478,9 +478,8 @@ MODULE cp_restart_new
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DEALLOCATE( tau )
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DEALLOCATE( ityp )
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!
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s1 = cclock()
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!
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WRITE( stdout, '(3X,"restart file written in ",F8.3," sec.",/)' ) (s1-s0)
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CALL stop_clock('restart')
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CALL print_clock('restart')
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!
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RETURN
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!
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@ -606,7 +605,6 @@ MODULE cp_restart_new
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REAL(DP), ALLOCATABLE :: occ_(:,:), et_(:,:)
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CHARACTER(LEN=256) :: psfile_(ntypx)
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CHARACTER(LEN=80) :: pos_unit
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REAL(DP) :: s1, s0, cclock
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REAL(DP), ALLOCATABLE :: mrepl(:,:)
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LOGICAL :: md_found, exist_wfc
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INTEGER :: io_bgrp_id
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@ -56,9 +56,13 @@ CONTAINS
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REAL(DP) :: t1, tpar, tser
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INTEGER :: nr, nc, ir, ic, nx
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TYPE(la_descriptor) :: desc
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REAL(DP) :: cclock
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EXTERNAL :: cclock
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INTEGER, PARAMETER :: paradim = 1000
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INTERFACE
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FUNCTION cclock ( ) BIND(C,name="cclock") RESULT(t)
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USE ISO_C_BINDING
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REAL(kind=c_double) :: t
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END FUNCTION cclock
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END INTERFACE
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!
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! Check if number of PEs for orthogonalization/diagonalization is given from the input
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!
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@ -202,9 +206,12 @@ CONTAINS
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REAL(DP) :: t1, tcan
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INTEGER :: nr, nc, ir, ic, np, lnode
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TYPE(la_descriptor) :: desc
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!
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REAL(DP) :: cclock
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EXTERNAL :: cclock
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INTERFACE
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FUNCTION cclock ( ) BIND(C,name="cclock") RESULT(t)
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USE ISO_C_BINDING
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REAL(kind=c_double) :: t
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END FUNCTION cclock
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END INTERFACE
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!
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np = MAX( INT( SQRT( DBLE( nproc_ortho ) + 0.1d0 ) ), 1 )
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!
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@ -30,6 +30,12 @@ MODULE check_stop
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LOGICAL :: stopped_by_user = .FALSE.
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LOGICAL, PRIVATE :: tinit = .FALSE.
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!
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INTERFACE
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FUNCTION cclock ( ) BIND(C,name="cclock") RESULT(t)
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USE ISO_C_BINDING
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REAL(kind=c_double) :: t
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END FUNCTION cclock
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END INTERFACE
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CONTAINS
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!
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! ... internal procedures
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@ -47,8 +53,6 @@ MODULE check_stop
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!
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IMPLICIT NONE
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!
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REAL(DP), EXTERNAL :: cclock
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!
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IF ( tinit ) &
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WRITE( UNIT = stdout, &
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FMT = '(/,5X,"WARNING: check_stop already initialized")' )
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@ -90,7 +94,6 @@ MODULE check_stop
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LOGICAL :: check_stop_now, tex=.false.
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LOGICAL :: signaled
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REAL(DP) :: seconds
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REAL(DP), EXTERNAL :: cclock
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!
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IF ( stopped_by_user ) THEN
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check_stop_now = .TRUE.
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@ -51,6 +51,17 @@ MODULE mytime
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#if defined (__TRACE)
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INTEGER :: trace_depth = 0
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#endif
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INTERFACE
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FUNCTION cclock ( ) BIND(C,name="cclock") RESULT(t)
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USE ISO_C_BINDING
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REAL(kind=c_double) :: t
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END FUNCTION cclock
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FUNCTION scnds ( ) BIND(C,name="scnds") RESULT(t)
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USE ISO_C_BINDING
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REAL(kind=c_double) :: t
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END FUNCTION scnds
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END INTERFACE
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CONTAINS
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!
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END MODULE mytime
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!
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@ -99,7 +110,7 @@ SUBROUTINE start_clock( label )
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USE mytime, ONLY : trace_depth
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#endif
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USE mytime, ONLY : nclock, clock_label, notrunning, no, maxclock, &
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t0cpu, t0wall
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t0cpu, t0wall, cclock, scnds
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!
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IMPLICIT NONE
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!
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@ -107,7 +118,6 @@ SUBROUTINE start_clock( label )
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!
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CHARACTER(len=12) :: label_
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INTEGER :: n
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REAL(DP), EXTERNAL :: scnds, cclock
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!
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#if defined (__TRACE)
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WRITE( stdout, '("mpime = ",I2,", TRACE (depth=",I2,") Start: ",A12)') mpime, trace_depth, label
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@ -171,7 +181,7 @@ SUBROUTINE stop_clock( label )
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USE mytime, ONLY : trace_depth
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#endif
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USE mytime, ONLY : no, nclock, clock_label, cputime, walltime, &
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notrunning, called, t0cpu, t0wall
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notrunning, called, t0cpu, t0wall, cclock, scnds
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!
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IMPLICIT NONE
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!
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@ -179,7 +189,6 @@ SUBROUTINE stop_clock( label )
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!
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CHARACTER(len=12) :: label_
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INTEGER :: n
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REAL(DP), EXTERNAL :: scnds, cclock
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!
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#if defined (__TRACE)
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trace_depth = trace_depth - 1
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@ -283,7 +292,7 @@ SUBROUTINE print_this_clock( n )
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USE kinds, ONLY : DP
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USE io_global, ONLY : stdout
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USE mytime, ONLY : clock_label, cputime, walltime, &
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notrunning, called, t0cpu, t0wall
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notrunning, called, t0cpu, t0wall, cclock, scnds
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!
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! ... See comments below about parallel case
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!
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@ -296,8 +305,6 @@ SUBROUTINE print_this_clock( n )
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REAL(DP) :: elapsed_cpu_time, elapsed_wall_time, nsec, msec
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INTEGER :: nday, nhour, nmin, nmax, mday, mhour, mmin
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!
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REAL(DP), EXTERNAL :: scnds, cclock
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!
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!
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IF ( t0cpu(n) == notrunning ) THEN
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!
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@ -426,7 +433,7 @@ FUNCTION get_clock( label )
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!
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USE kinds, ONLY : DP
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USE mytime, ONLY : no, nclock, clock_label, walltime, &
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notrunning, t0wall, t0cpu
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notrunning, t0wall, t0cpu, cclock
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!
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! ... See comments in subroutine print_this_clock about parallel case
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!
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@ -439,9 +446,6 @@ FUNCTION get_clock( label )
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CHARACTER(len=*) :: label
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INTEGER :: n
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!
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REAL(DP), EXTERNAL :: cclock
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!
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!
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IF ( no ) THEN
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!
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IF ( label == clock_label(1) ) THEN
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@ -58,7 +58,7 @@ SUBROUTINE stm (sample_bias, stmdos, istates)
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! last band close enough to the specified energy range [down1:up1]
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real(DP) :: emin, emax, x, y, &
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w1, w2, up, up1, down, down1, t0, scnds
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w1, w2, up, up1, down, down1
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COMPLEX(DP), PARAMETER :: i= (0.d0, 1.d0)
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real(DP), ALLOCATABLE :: gs (:,:)
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@ -67,7 +67,7 @@ SUBROUTINE stm (sample_bias, stmdos, istates)
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real(DP), EXTERNAL :: w0gauss
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t0 = scnds ()
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CALL start_clock('STM')
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ALLOCATE (gs( 2, npwx))
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ALLOCATE (psi(dfftp%nr1x, dfftp%nr2x))
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!
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@ -240,7 +240,8 @@ SUBROUTINE stm (sample_bias, stmdos, istates)
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#endif
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DEALLOCATE(psi)
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DEALLOCATE(gs)
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WRITE( stdout, '(/5x,"STM:",f10.2,"s cpu time")') scnds ()-t0
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CALL stop_clock('STM')
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CALL print_clock('STM')
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!
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#if defined(__MPI)
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CALL mp_sum( istates, inter_pool_comm )
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@ -92,7 +92,7 @@ SUBROUTINE new_hamiltonian(form, plot_bands)
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USE constants, ONLY : rytoev , tpi
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USE buffers
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USE symm_base, ONLY : nsym
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!
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IMPLICIT NONE
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LOGICAL :: plot_bands
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CHARACTER(len=256), INTENT(IN) :: form
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@ -101,8 +101,13 @@ SUBROUTINE new_hamiltonian(form, plot_bands)
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COMPLEX(DP), ALLOCATABLE :: hamk(:,:,:), hamh(:,:,:)
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real(DP), ALLOCATABLE :: ek(:,:)
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real(DP) :: e(nwan), x, hoping(3), nelec
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REAL(DP), EXTERNAL :: cclock
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CHARACTER(20) :: fmt
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INTERFACE
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FUNCTION cclock ( ) BIND(C,name="cclock") RESULT(t)
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USE ISO_C_BINDING
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REAL(kind=c_double) :: t
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END FUNCTION cclock
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END INTERFACE
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ALLOCATE(ek(nwan,nks))
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ALLOCATE(hamk(nwan,nwan,nks))
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@ -16,9 +16,7 @@
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#endif
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#include <unistd.h>
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#include "c_defs.h"
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double F77_FUNC(cclock,CCLOCK)()
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double cclock()
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/* Return the second elapsed since Epoch (00:00:00 UTC, January 1, 1970)
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*/
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}
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double F77_FUNC(scnds,SCNDS) ( )
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double scnds ( )
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/* Return the cpu time associated to the current process
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*/
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@ -1,13 +0,0 @@
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!
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! Copyright (C) 2002 FPMD group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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#if defined __AIX
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# define __BSIZ_VALUE 55
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#else
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# define __BSIZ_VALUE 35
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#endif
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