diff --git a/CPV/src/gram.f90 b/CPV/src/gram.f90 index b7e1192113..9d8bf0c4d3 100644 --- a/CPV/src/gram.f90 +++ b/CPV/src/gram.f90 @@ -74,8 +74,6 @@ SUBROUTINE gram_bgrp( betae, bec_bgrp, nkbx, cp_bgrp, ngwx ) anorm = cscnorm( bec_bgrp, cp_bgrp, ibgrp_i, nbspx_bgrp ) cp_bgrp(:,ibgrp_i) = cp_bgrp(:,ibgrp_i) / anorm bec_bgrp(:,ibgrp_i) = bec_bgrp(:,ibgrp_i) / anorm - !CALL dscal( 2*ngw, 1.0d0/anorm, cp_bgrp(1,ibgrp_i), 1 ) - !CALL dscal( nkbx, 1.0d0/anorm, bec_bgrp(1,ibgrp_i), 1 ) END IF END DO END DO @@ -208,16 +206,11 @@ SUBROUTINE gracsc_bgrp( i, csc, iss, nk ) IF( ibgrp_i > 0 ) THEN DO ia = 1, nat is = ityp(ia) - IF( upf(is)%tvanp ) THEN - DO iv=1,nh(is) - inl=ofsbeta(ia)+iv - bec_tmp(inl) = 2.d0 * DDOT( 2*ngw, cp_bgrp(1,ibgrp_i), 1, betae(1,inl), 1) & - - g0 * DBLE(cp_bgrp(1,ibgrp_i) * CONJG(betae(1,inl))) - END DO - ELSE - inl= ofsbeta(ia) - bec_tmp( inl + 1: inl + nh(is) ) = 0.0d0 - END IF + DO iv=1,nh(is) + inl=ofsbeta(ia)+iv + bec_tmp(inl) = 2.d0 * DDOT( 2*ngw, cp_bgrp(1,ibgrp_i), 1, betae(1,inl), 1) & + - g0 * DBLE(cp_bgrp(1,ibgrp_i) * CONJG(betae(1,inl))) + END DO END DO CALL mp_sum( bec_tmp, intra_bgrp_comm ) ! parallel sum over G vectors within a band group bec_bgrp( : , ibgrp_i ) = bec_tmp( : ) diff --git a/Doc/user_guide.tex b/Doc/user_guide.tex index 0f894a6ad3..94f7b57089 100644 --- a/Doc/user_guide.tex +++ b/Doc/user_guide.tex @@ -524,7 +524,7 @@ \subsection{Building with \make} \texttt{LIBDIRS}& extra directories where to search for libraries\\ \end{tabular}\\ (note that \texttt{F90} is an ``historical'' name -- we actually use -Fortran 2003 -- and that it should be used only together with option +Fortran 2008 -- and that it should be used only together with option \texttt{--disable-parallel}. In fact, the value of F90 must be consistent with the parallel Fortran compiler which is determined by \configure\ and stored in the \texttt{MPIF90} variable). diff --git a/PP/src/pw2bgw.f90 b/PP/src/pw2bgw.f90 index b4a087aa7c..43885a41c0 100644 --- a/PP/src/pw2bgw.f90 +++ b/PP/src/pw2bgw.f90 @@ -4891,7 +4891,6 @@ SUBROUTINE write_vhub_g (output_file_name, diag_nmin, diag_nmax, offdiag_nmin, o complex (DP), allocatable :: hc(:,:) integer :: nspin_ integer :: kdim, kdmx - COMPLEX (DP) :: zdotc integer :: ldim, is1, ibnd, i, na, m1, nt character(LEN=20) :: ik_string, ib_string, is_string diff --git a/QEHeat/src/project.f90 b/QEHeat/src/project.f90 index 2ed41783a3..7d67772457 100644 --- a/QEHeat/src/project.f90 +++ b/QEHeat/src/project.f90 @@ -64,8 +64,6 @@ subroutine project(ipol, dvpsi_save, save_dvpsi) ! the desired convergence of linter logical :: conv_root ! true if convergence has been achieved - COMPLEX(DP), EXTERNAL :: zdotc - real(DP), EXTERNAL ::ddot real(DP) ::emme(nbnd, nbnd) ! logical ::l_test, exst diff --git a/TDDFPT/src/lr_Opsi_magnons.f90 b/TDDFPT/src/lr_Opsi_magnons.f90 index 0dd12d6a8a..f4c39dab8f 100755 --- a/TDDFPT/src/lr_Opsi_magnons.f90 +++ b/TDDFPT/src/lr_Opsi_magnons.f90 @@ -60,7 +60,6 @@ SUBROUTINE lr_Opsi_magnons (ik, ip, dOpsi) COMPLEX(DP) :: Tevc(npol*npwx,nbnd) ! T-rev op. applied to u_{-k} COMPLEX(DP) :: Tevq(npol*npwx,nbnd) ! T-rev op. applied to u_{-k-Q} ! - COMPLEX(DP), EXTERNAL :: zdotc INTEGER :: ibnd1, ibnd2 ! CALL start_clock ('lr_Opsi_magnons') diff --git a/upflib/ylmr2_gpu.f90 b/upflib/ylmr2_gpu.f90 index 162ddc1f88..a00ee8bde2 100644 --- a/upflib/ylmr2_gpu.f90 +++ b/upflib/ylmr2_gpu.f90 @@ -6,7 +6,7 @@ ! or http://www.gnu.org/copyleft/gpl.txt . ! #define __PGI_1910_WORKAROUND -! use the CUDA Kernel version insetad of the simple CUF version +! use the CUDA Kernel version instead of the simple CUF version ! that for some obscure reason crashes on (obsolescent) PGI v.19.10 module ylmr2_gpum