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Removal of too long lines (Pietro B.) and of tabulators 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13841 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2017-09-14 15:13:08 +00:00
parent 7867722d41
commit 326374056b
10 changed files with 57 additions and 38 deletions
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44
FFTXlib/scatter_mod.f90
View File

@ -152,7 +152,9 @@ SUBROUTINE fft_scatter_xy ( desc, f_in, f_aux, nxx_, isgn )
ENDDO
offset = offset + desc%nr2p( iproc2 )
#if defined(__NON_BLOCKING_SCATTER)
CALL mpi_isend( f_aux( (iproc2-1)*sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc2-1, me2, desc%comm2, sh( iproc2 ), ierr )
CALL mpi_isend( f_aux( (iproc2-1)*sendsize + 1 ), sendsize, &
MPI_DOUBLE_COMPLEX, iproc2-1, me2, desc%comm2, &
sh( iproc2 ), ierr )
#endif
ENDDO
!
@ -163,14 +165,17 @@ SUBROUTINE fft_scatter_xy ( desc, f_in, f_aux, nxx_, isgn )
!
! now post the receive
!
CALL mpi_irecv( f_in( (iproc2-1)*sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc2-1, MPI_ANY_TAG, desc%comm2, rh( iproc2 ), ierr )
CALL mpi_irecv( f_in( (iproc2-1)*sendsize + 1 ), sendsize, &
MPI_DOUBLE_COMPLEX, iproc2-1, MPI_ANY_TAG, &
desc%comm2, rh( iproc2 ), ierr )
!IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', ' forward receive info<>0', abs(ierr) )
ENDDO
call mpi_waitall( nproc2, sh, MPI_STATUSES_IGNORE, ierr )
!
#else
CALL mpi_alltoall (f_aux(1), sendsize, MPI_DOUBLE_COMPLEX, f_in(1), sendsize, MPI_DOUBLE_COMPLEX, desc%comm2, ierr)
CALL mpi_alltoall (f_aux(1), sendsize, MPI_DOUBLE_COMPLEX, f_in(1), &
sendsize, MPI_DOUBLE_COMPLEX, desc%comm2, ierr)
!
IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', 'info<>0', abs(ierr) )
#endif
@ -214,7 +219,9 @@ SUBROUTINE fft_scatter_xy ( desc, f_in, f_aux, nxx_, isgn )
it = it + nr2px
ENDDO
#if defined(__NON_BLOCKING_SCATTER)
IF( nproc2 > 1 ) CALL mpi_isend( f_in( ( iproc2 - 1 ) * sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc2-1, me2, desc%comm2, sh( iproc2 ), ierr )
IF( nproc2 > 1 ) CALL mpi_isend( f_in( ( iproc2 - 1 ) * sendsize + 1 ), &
sendsize, MPI_DOUBLE_COMPLEX, iproc2-1, me2, &
desc%comm2, sh( iproc2 ), ierr )
#endif
ENDDO
IF (nproc2==1) GO TO 20
@ -223,12 +230,15 @@ SUBROUTINE fft_scatter_xy ( desc, f_in, f_aux, nxx_, isgn )
! step two: communication
!
#if ! defined(__NON_BLOCKING_SCATTER)
CALL mpi_alltoall (f_in(1), sendsize, MPI_DOUBLE_COMPLEX, f_aux(1), sendsize, MPI_DOUBLE_COMPLEX, desc%comm2, ierr)
CALL mpi_alltoall (f_in(1), sendsize, MPI_DOUBLE_COMPLEX, f_aux(1), &
sendsize, MPI_DOUBLE_COMPLEX, desc%comm2, ierr)
IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', 'info<>0', abs(ierr) )
#else
DO iproc2 = 1, nproc2
CALL mpi_irecv( f_aux( (iproc2-1)*sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc2-1, MPI_ANY_TAG, desc%comm2, rh(iproc2), ierr )
CALL mpi_irecv( f_aux( (iproc2-1)*sendsize + 1 ), sendsize, &
MPI_DOUBLE_COMPLEX, iproc2-1, MPI_ANY_TAG, &
desc%comm2, rh(iproc2), ierr )
! IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', ' backward receive info<>0', abs(ierr) )
ENDDO
@ -383,7 +393,9 @@ SUBROUTINE fft_scatter_yz ( desc, f_in, f_aux, nxx_, isgn )
ENDDO
offset = offset + desc%nr3p( iproc3 )
#if defined(__NON_BLOCKING_SCATTER)
CALL mpi_isend( f_aux( ( iproc3 - 1 ) * sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc3-1, me3, desc%comm3, sh( iproc3 ), ierr )
CALL mpi_isend( f_aux( ( iproc3 - 1 ) * sendsize + 1 ), sendsize, &
MPI_DOUBLE_COMPLEX, iproc3-1, me3, desc%comm3, &
sh( iproc3 ), ierr )
#endif
ENDDO
!
@ -397,7 +409,9 @@ SUBROUTINE fft_scatter_yz ( desc, f_in, f_aux, nxx_, isgn )
!
! now post the receive
!
CALL mpi_irecv( f_in( (iproc3-1)*sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc3-1, MPI_ANY_TAG, desc%comm3, rh( iproc3 ), ierr )
CALL mpi_irecv( f_in( (iproc3-1)*sendsize + 1 ), sendsize, &
MPI_DOUBLE_COMPLEX, iproc3-1, MPI_ANY_TAG, &
desc%comm3, rh( iproc3 ), ierr )
!IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', ' forward receive info<>0', abs(ierr) )
!
!
@ -406,7 +420,8 @@ SUBROUTINE fft_scatter_yz ( desc, f_in, f_aux, nxx_, isgn )
call mpi_waitall( nproc3, sh, MPI_STATUSES_IGNORE, ierr )
!
#else
CALL mpi_alltoall (f_aux(1), sendsize, MPI_DOUBLE_COMPLEX, f_in(1), sendsize, MPI_DOUBLE_COMPLEX, desc%comm3, ierr)
CALL mpi_alltoall (f_aux(1), sendsize, MPI_DOUBLE_COMPLEX, f_in(1), &
sendsize, MPI_DOUBLE_COMPLEX, desc%comm3, ierr)
IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', 'info<>0', abs(ierr) )
#endif
@ -457,7 +472,9 @@ SUBROUTINE fft_scatter_yz ( desc, f_in, f_aux, nxx_, isgn )
ENDDO
ENDDO
#if defined(__NON_BLOCKING_SCATTER)
IF( nproc3 > 1 ) CALL mpi_isend( f_in( ( iproc3 - 1 ) * sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc3-1, me3, desc%comm3, sh( iproc3 ), ierr )
IF( nproc3 > 1 ) CALL mpi_isend( f_in( ( iproc3 - 1 ) * sendsize + 1 ), &
sendsize, MPI_DOUBLE_COMPLEX, iproc3-1, &
me3, desc%comm3, sh( iproc3 ), ierr )
#endif
ENDDO
@ -466,12 +483,15 @@ SUBROUTINE fft_scatter_yz ( desc, f_in, f_aux, nxx_, isgn )
! step two: communication
!
#if ! defined(__NON_BLOCKING_SCATTER)
CALL mpi_alltoall (f_in(1), sendsize, MPI_DOUBLE_COMPLEX, f_aux(1), sendsize, MPI_DOUBLE_COMPLEX, desc%comm3, ierr)
CALL mpi_alltoall (f_in(1), sendsize, MPI_DOUBLE_COMPLEX, f_aux(1), &
sendsize, MPI_DOUBLE_COMPLEX, desc%comm3, ierr)
IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', 'info<>0', abs(ierr) )
#else
DO iproc3 = 1, desc%nproc3
CALL mpi_irecv( f_aux( (iproc3-1)*sendsize + 1 ), sendsize, MPI_DOUBLE_COMPLEX, iproc3-1, MPI_ANY_TAG, desc%comm3, rh(iproc3), ierr )
CALL mpi_irecv( f_aux( (iproc3-1)*sendsize + 1 ), sendsize, &
MPI_DOUBLE_COMPLEX, iproc3-1, MPI_ANY_TAG, &
desc%comm3, rh(iproc3), ierr )
! IF( abs(ierr) /= 0 ) CALL fftx_error__ ('fft_scatter', ' backward receive info<>0', abs(ierr) )
ENDDO

4
LR_Modules/dv_rVV10.f90
View File

@ -199,7 +199,7 @@ subroutine get_delta_v(rho, drho, nspin, q_point, delta_v)
!! ---------------------------------------------------------------------------------------------
!! Begin integral for the delta_b part
!!---------------------------------------------------------------------------------------------
!!---------------------------------------------------------------------------------------------
do i_grid = 1,dfftp%nnr
@ -260,7 +260,7 @@ subroutine get_delta_v(rho, drho, nspin, q_point, delta_v)
!! ---------------------------------------------------------------------------------------------
!! Begin h
!!---------------------------------------------------------------------------------------------
!!---------------------------------------------------------------------------------------------
delta_h(:) = 0.0_DP
delta_h1(:) = 0.0_DP

4
LR_Modules/dv_vdW_DF.f90
View File

@ -201,7 +201,7 @@ subroutine get_delta_v(rho, drho, nspin, q_point, delta_v)
!! ---------------------------------------------------------------------------------------------
!! Begin integral for the delta_b part
!!---------------------------------------------------------------------------------------------
!!---------------------------------------------------------------------------------------------
do i_grid = 1,dfftp%nnr
@ -259,7 +259,7 @@ subroutine get_delta_v(rho, drho, nspin, q_point, delta_v)
!! ---------------------------------------------------------------------------------------------
!! Begin h
!!---------------------------------------------------------------------------------------------
!!---------------------------------------------------------------------------------------------
delta_h(:) = 0.0_DP

8
Modules/metagga.f90
View File

@ -57,7 +57,7 @@ subroutine tpsscxc( rho, grho, tau, sx, sc, v1x, v2x, v3x, v1c, v2c, v3c )
call xc_f90_func_init(xc_func, xc_info, func_id, XC_UNPOLARIZED)
call xc_f90_mgga_exc_vxc(xc_func, size, rho, grho, lapl_rho, 0.5_dp*tau,&
sx, v1x, v2x, vlapl_rho, v3x)
call xc_f90_func_end(xc_func)
call xc_f90_func_end(xc_func)
sx = sx * rho
v2x = v2x*2.0_dp
@ -1415,9 +1415,9 @@ subroutine tb09cxc(rho, grho, tau, sx, sc, v1x, v2x,v3x,v1c, v2c,v3c)
call xc_f90_func_init(xc_func, xc_info, func_id, XC_UNPOLARIZED)
call xc_f90_mgga_vxc(xc_func, size, rho, grho, lapl_rho, 0.5_dp*tau, &
v1x, v2x, vlapl_rho, v3x)
call xc_f90_func_end(xc_func)
call xc_f90_func_end(xc_func)
sx = 0.0d0
sx = 0.0d0
v2x = v2x*2.0_dp
v3x = v3x*0.5_dp
@ -1430,7 +1430,7 @@ subroutine tb09cxc(rho, grho, tau, sx, sc, v1x, v2x,v3x,v1c, v2c,v3c)
sc, v1c, v2c, vlapl_rho, v3c)
call xc_f90_func_end(xc_func)
sc = sc * rho
sc = sc * rho
v2c = v2c*2.0_dp
v3c = v3c*0.5_dp
#else

6
Modules/mp_world.f90
View File

@ -47,7 +47,7 @@ CONTAINS
#if defined(__MPI)
INTEGER :: ierr
#endif
#if defined(__OPENMP)
#if defined(__OPENMP)
INTEGER :: PROVIDED
#endif
!
@ -59,9 +59,9 @@ CONTAINS
CALL MPI_Initialized ( library_mode, ierr)
IF (ierr/=0) CALL mp_stop( 8000 )
IF (.NOT. library_mode ) THEN
#if defined(__OPENMP)
#if defined(__OPENMP)
CALL MPI_Init_thread(MPI_THREAD_FUNNELED, PROVIDED, ierr)
#else
#else
CALL MPI_Init(ierr)
#endif
IF (ierr/=0) CALL mp_stop( 8001 )

2
PP/src/chdens_module.f90
View File

@ -1403,7 +1403,7 @@ SUBROUTINE isostm_plot(rhor, nr1x, nr2x, nr3x, &
! input parameters
REAL(DP) :: maximum,minimum
! max and min value of iLDOS
LOGICAL :: saturation ! check on the image
LOGICAL :: saturation ! check on the image
INTEGER :: i, j, k

2
PP/src/pw_export.f90
View File

@ -819,7 +819,7 @@ SUBROUTINE write_export (pp_file,kunit,uspp_spsi, ascii, single_file, raw)
npw = ngk(ik-iks+1)
local_pw = npw
CALL init_us_2(npw, igk_k(1,ik-iks+1), xk(1, ik), vkb)
CALL init_us_2(npw, igk_k(1,ik-iks+1), xk(1, ik), vkb)
IF ( gamma_only ) THEN
CALL calbec ( npw, vkb, evc, becp )

17
PW/src/exx.f90
View File

@ -1791,7 +1791,7 @@ MODULE exx
COMPLEX(DP),ALLOCATABLE :: temppsic_nc(:,:,:),result_nc(:,:,:)
INTEGER :: request_send, request_recv
!
COMPLEX(DP),ALLOCATABLE :: deexx(:,:)
COMPLEX(DP),ALLOCATABLE :: deexx(:,:)
COMPLEX(DP),ALLOCATABLE,TARGET :: rhoc(:,:), vc(:,:)
#if defined(__USE_3D_FFT) & defined(__USE_MANY_FFT)
COMPLEX(DP),POINTER :: prhoc(:), pvc(:)
@ -1802,12 +1802,12 @@ MODULE exx
!DIR$ memory(bandwidth) rhoc, vc
#endif
REAL(DP), ALLOCATABLE :: fac(:), facb(:)
INTEGER :: ibnd, ik, im , ikq, iq, ipol
INTEGER :: ir, ig, ir_start, ir_end
INTEGER :: irt, nrt, nblock
INTEGER :: current_ik
INTEGER :: ibnd_loop_start
INTEGER :: h_ibnd, nrxxs
INTEGER :: ibnd, ik, im , ikq, iq, ipol
INTEGER :: ir, ig, ir_start, ir_end
INTEGER :: irt, nrt, nblock
INTEGER :: current_ik
INTEGER :: ibnd_loop_start
INTEGER :: h_ibnd, nrxxs
REAL(DP) :: x1, x2, xkp(3), omega_inv, nqs_inv
REAL(DP) :: xkq(3)
! <LMS> temp array for vcut_spheric
@ -2847,7 +2847,6 @@ MODULE exx
INTEGER :: h_ibnd, nrxxs, current_ik, ibnd_loop_start, nblock, nrt, irt, ir_start, ir_end
REAL(DP) :: x1, x2
REAL(DP) :: xkq(3), xkp(3), vc, omega_inv
!REAL(DP), ALLOCATEABLE :: vcarr(:)
! temp array for vcut_spheric
INTEGER, EXTERNAL :: global_kpoint_index
!
@ -3009,7 +3008,7 @@ MODULE exx
ENDDO
!$omp end parallel do
ELSE
!calculate rho in real space
nblock=2048
nrt = nrxxs / nblock

2
PW/src/pw_restart_new.f90
View File

@ -480,7 +480,7 @@ MODULE pw_restart_new
CHARACTER(LEN=256) :: dirname
CHARACTER(LEN=320) :: filename
CHARACTER(iotk_attlenx) :: attr
#if defined(__HDF5)
#if defined(__HDF5)
TYPE(hdf5_type) :: gvecs_h5desc
#endif
!

6
XSpectra/src/molecularnexafs.f90
View File

@ -77,7 +77,7 @@
! the results.
!
!=======================================================================
! NAMELIST / CONTROL /
! NAMELIST / CONTROL /
!-----------------------------------------------------------------------
!
! syslabel character(len=80) DEFAULT='MOLECULE'
@ -96,7 +96,7 @@
! The multiplicities of the inequivalent atoms in the molecule
!
!-----------------------------------------------------------------------
!NAMELIST / XPS /
!NAMELIST / XPS /
!-----------------------------------------------------------------------
!
! erangexps(1:2) real(DP) DEFAULT=(-5:5)
@ -116,7 +116,7 @@
! Total energy (Ry) with a FCH in that given atom
!
!-----------------------------------------------------------------------
!NAMELIST / NEXAFS /
!NAMELIST / NEXAFS /
!-----------------------------------------------------------------------
!
! dosingleatoms logical DEFAULT=.TRUE.