mirror of https://gitlab.com/QEF/q-e.git
Misc. Alpha compilation errors and warning (courtesy of G. Cantele)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1333 c92efa57-630b-4861-b058-cf58834340f0
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@ -95,12 +95,11 @@ CONTAINS
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nstep, ecutwfc, ecutrho, ampre, ortho_eps, ortho_max, wmass, qcutz, q2sigma, &
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ecfixed, ekincw, fnosep, nat, tstress, disk_io, fnosee, ion_temperature, &
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cell_temperature, cell_dofree, cell_dynamics, cell_damping, electron_temperature, &
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dt, emass, emass_cutoff, ion_radius, isave, verbosity, tprnfor, &
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dt, emass, emass_cutoff, ion_radius, verbosity, tprnfor, &
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ekin_conv_thr, etot_conv_thr, max_seconds, na_inp, rd_pos, atom_label, rd_vel, &
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smd_polm, smd_kwnp, smd_linr, smd_stcd, smd_stcd1, smd_stcd2, smd_stcd3, smd_codf, &
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smd_forf, smd_smwf, smd_lmfreq, smd_tol, smd_maxlm, smd_smcp, smd_smopt, smd_smlm, &
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num_of_images, smd_ene_ini, smd_ene_fin, electron_velocities, ion_velocities, &
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cell_velocities
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num_of_images, smd_ene_ini, smd_ene_fin
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use read_namelists_module, only: read_namelists
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use read_cards_module, only: read_cards
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4
Doc/BUGS
4
Doc/BUGS
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@ -1,4 +1,8 @@
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* various Alpha compilation problems
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* calculation of Makov-Payne correction not perfect
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Fixed in version 2.1:
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* various T3E compilation problems
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@ -1,4 +1,5 @@
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23 Sep 2004 "make tar" was not saving atomic_doc (PG)
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23 Sep 2004 "make tar" was not saving atomic_doc
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Misc. Alpha compilation errors and warning (PG)
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22 Sep 2004 chdens: fix/modifications in dipole moment calculation
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and makov-payne correction (PC)
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@ -3538,7 +3538,7 @@
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IMPLICIT NONE
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INTEGER, INTENT(IN) :: iuni
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INTEGER :: idum
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INTEGER :: idum = 0
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CHARACTER(LEN=20) :: section_name = 'tetra'
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LOGICAL :: twrite = .FALSE.
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!
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@ -18,12 +18,12 @@ subroutine write_cubefile (alat, at, nat, tau, atm, ityp, &
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USE kinds, only : DP
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implicit none
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integer :: nat, ityp (nat), ounit
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integer :: nat, ityp (nat), ounit, nrx1, nrx2, nrx3
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character(len=3) :: atm(*)
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real(kind=DP) :: alat, tau (3, nat), at (3, 3), rho(nrx1,nrx2,nrx3)
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! --
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integer :: i, nt, i1, i2, i3, nrx1, nrx2, nrx3, at_num
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integer :: i, nt, i1, i2, i3, at_num
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integer, external:: atomic_number
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real(kind=DP) :: at_chrg
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@ -24,7 +24,7 @@ subroutine stop_pp
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if ( op ) then
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if (twfcollect) then
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close (unit = iuwfc, status = 'delete')
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close (unit = iunwfc, status = 'delete')
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else
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close (unit = iuwfc, status = 'keep')
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end if
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@ -45,7 +45,7 @@
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real(kind=dp):: t1,t2, d11,d22,d12, aa2,det,dett,rd1m,rd2m, ddot
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real(kind=dp),allocatable:: c(:), d(:), a1(:), a2(:), b1(:), b2(:)
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integer:: i
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external ddot, dscal, allocate_memory, free_memory, trns
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external ddot, trns
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save c, d, a1, a2, b1, b2
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