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workarounds for g95 bug [Gerardo] 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1395 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
ballabio 2004-10-25 15:26:30 +00:00
parent 863c66717d
commit 59d48dd531
2 changed files with 18 additions and 6 deletions
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12
PW/cegterg.f90
View File

@ -212,8 +212,11 @@ SUBROUTINE cegterg( ndim, ndmx, nvec, nvecx, evc, &
!
END IF
!
FORALL( np = 1: notcnv ) &
! workaround for g95 bug
! FORALL( np = 1: notcnv ) &
DO np = 1, notcnv
psi(:,nbase+np) = - ew(nbase+np) * psi(:,nbase+np)
END DO
!
CALL ZGEMM( 'N', 'N', ndim, notcnv, nbase, ONE, hpsi, &
ndmx, vc, nvecx, ONE, psi(1,nbase+1), ndmx )
@ -236,11 +239,14 @@ SUBROUTINE cegterg( ndim, ndmx, nvec, nvecx, evc, &
!
CALL reduce( notcnv, ew )
!
FORALL( n = 1 : notcnv )
! workaround for g95 bug
! FORALL( n = 1 : notcnv )
DO n = 1, notcnv
!
psi(:,nbase+n) = psi(:,nbase+n) / SQRT( ew(n) )
!
END FORALL
END DO
! END FORALL
!
! ... here compute the hpsi and spsi of the new functions
!

12
PW/regterg.f90
View File

@ -222,8 +222,11 @@ SUBROUTINE regterg( ndim, ndmx, nvec, nvecx, evc, ethr, &
!
END IF
!
FORALL( np = 1: notcnv ) &
! workaround for g95 bug
! FORALL( np = 1: notcnv ) &
DO np = 1, notcnv
psi(:,nbase+np) = - ew(nbase+np) * psi(:,nbase+np)
END DO
!
CALL DGEMM( 'N', 'N', ndim2, notcnv, nbase, 1.D0, hpsi, &
ndmx2, vr, nvecx, 1.D0, psi(1,nbase+1), ndmx2 )
@ -248,11 +251,14 @@ SUBROUTINE regterg( ndim, ndmx, nvec, nvecx, evc, ethr, &
!
CALL reduce( notcnv, ew )
!
FORALL( n = 1 : notcnv )
! workaround for g95 bug
! FORALL( n = 1 : notcnv )
DO n = 1, notcnv
!
psi(:,nbase+n) = psi(:,nbase+n) / SQRT( ew(n) )
!
END FORALL
! END FORALL
END DO
!
! ... here compute the hpsi and spsi of the new functions
!