From 7ba66508fead097360d9083d7d15528b93d0cd33 Mon Sep 17 00:00:00 2001 From: giannozz Date: Thu, 23 Sep 2004 14:11:33 +0000 Subject: [PATCH] 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 --- CPV/input.f90 | 5 ++--- Doc/BUGS | 4 ++++ Doc/ChangeLog | 3 ++- Modules/io_base.f90 | 2 +- PP/cube.f90 | 4 ++-- PP/stop_pp.f90 | 2 +- atomic/dmixp.f90 | 2 +- 7 files changed, 13 insertions(+), 9 deletions(-) diff --git a/CPV/input.f90 b/CPV/input.f90 index c98153518..7cccd0196 100644 --- a/CPV/input.f90 +++ b/CPV/input.f90 @@ -95,12 +95,11 @@ CONTAINS nstep, ecutwfc, ecutrho, ampre, ortho_eps, ortho_max, wmass, qcutz, q2sigma, & ecfixed, ekincw, fnosep, nat, tstress, disk_io, fnosee, ion_temperature, & cell_temperature, cell_dofree, cell_dynamics, cell_damping, electron_temperature, & - dt, emass, emass_cutoff, ion_radius, isave, verbosity, tprnfor, & + dt, emass, emass_cutoff, ion_radius, verbosity, tprnfor, & ekin_conv_thr, etot_conv_thr, max_seconds, na_inp, rd_pos, atom_label, rd_vel, & smd_polm, smd_kwnp, smd_linr, smd_stcd, smd_stcd1, smd_stcd2, smd_stcd3, smd_codf, & smd_forf, smd_smwf, smd_lmfreq, smd_tol, smd_maxlm, smd_smcp, smd_smopt, smd_smlm, & - num_of_images, smd_ene_ini, smd_ene_fin, electron_velocities, ion_velocities, & - cell_velocities + num_of_images, smd_ene_ini, smd_ene_fin use read_namelists_module, only: read_namelists use read_cards_module, only: read_cards diff --git a/Doc/BUGS b/Doc/BUGS index fe1207fe2..15a79f0ad 100644 --- a/Doc/BUGS +++ b/Doc/BUGS @@ -1,4 +1,8 @@ + * various Alpha compilation problems + + * calculation of Makov-Payne correction not perfect + Fixed in version 2.1: * various T3E compilation problems diff --git a/Doc/ChangeLog b/Doc/ChangeLog index d037a6146..14acf09b0 100644 --- a/Doc/ChangeLog +++ b/Doc/ChangeLog @@ -1,4 +1,5 @@ -23 Sep 2004 "make tar" was not saving atomic_doc (PG) +23 Sep 2004 "make tar" was not saving atomic_doc + Misc. Alpha compilation errors and warning (PG) 22 Sep 2004 chdens: fix/modifications in dipole moment calculation and makov-payne correction (PC) diff --git a/Modules/io_base.f90 b/Modules/io_base.f90 index 2dde54c14..f7828442f 100644 --- a/Modules/io_base.f90 +++ b/Modules/io_base.f90 @@ -3538,7 +3538,7 @@ IMPLICIT NONE INTEGER, INTENT(IN) :: iuni - INTEGER :: idum + INTEGER :: idum = 0 CHARACTER(LEN=20) :: section_name = 'tetra' LOGICAL :: twrite = .FALSE. ! diff --git a/PP/cube.f90 b/PP/cube.f90 index a7f40ba89..da72eb5e1 100644 --- a/PP/cube.f90 +++ b/PP/cube.f90 @@ -18,12 +18,12 @@ subroutine write_cubefile (alat, at, nat, tau, atm, ityp, & USE kinds, only : DP implicit none - integer :: nat, ityp (nat), ounit + integer :: nat, ityp (nat), ounit, nrx1, nrx2, nrx3 character(len=3) :: atm(*) real(kind=DP) :: alat, tau (3, nat), at (3, 3), rho(nrx1,nrx2,nrx3) ! -- - integer :: i, nt, i1, i2, i3, nrx1, nrx2, nrx3, at_num + integer :: i, nt, i1, i2, i3, at_num integer, external:: atomic_number real(kind=DP) :: at_chrg diff --git a/PP/stop_pp.f90 b/PP/stop_pp.f90 index eb76d90e9..b3d57b934 100644 --- a/PP/stop_pp.f90 +++ b/PP/stop_pp.f90 @@ -24,7 +24,7 @@ subroutine stop_pp if ( op ) then if (twfcollect) then - close (unit = iuwfc, status = 'delete') + close (unit = iunwfc, status = 'delete') else close (unit = iuwfc, status = 'keep') end if diff --git a/atomic/dmixp.f90 b/atomic/dmixp.f90 index b91f3387c..807909942 100644 --- a/atomic/dmixp.f90 +++ b/atomic/dmixp.f90 @@ -45,7 +45,7 @@ real(kind=dp):: t1,t2, d11,d22,d12, aa2,det,dett,rd1m,rd2m, ddot real(kind=dp),allocatable:: c(:), d(:), a1(:), a2(:), b1(:), b2(:) integer:: i - external ddot, dscal, allocate_memory, free_memory, trns + external ddot, trns save c, d, a1, a2, b1, b2