__CUDA deprecated. QE-GPU as it is packaged now is not compatible with QE 6.x

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12866 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
spigafi 2016-08-28 22:23:24 +00:00
parent a02ad988eb
commit ff7d127a8c
6 changed files with 2 additions and 84 deletions

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@ -154,10 +154,6 @@
IF (ierr/=0) CALL mp_stop( 8006 ) IF (ierr/=0) CALL mp_stop( 8006 )
# endif # endif
#if defined(__CUDA) || defined(__PHIGEMM )
CALL InitCudaEnv()
#endif
RETURN RETURN
END SUBROUTINE mp_start END SUBROUTINE mp_start
!------------------------------------------------------------------------------! !------------------------------------------------------------------------------!
@ -183,10 +179,6 @@
ierr = 0 ierr = 0
taskid = 0 taskid = 0
#if defined(__CUDA) || defined(__PHIGEMM )
CALL CloseCudaEnv()
#endif
#if defined(__MPI) #if defined(__MPI)
CALL mpi_comm_rank( groupid, taskid, ierr) CALL mpi_comm_rank( groupid, taskid, ierr)
#endif #endif

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@ -24,11 +24,7 @@ SUBROUTINE addusdens(rho)
IF ( tqr ) THEN IF ( tqr ) THEN
CALL addusdens_r(rho,.true.) CALL addusdens_r(rho,.true.)
ELSE ELSE
#if defined(__CUDA) && !defined(__DISABLE_CUDA_ADDUSDENS)
CALL addusdens_g_gpu(rho)
#else
CALL addusdens_g(rho) CALL addusdens_g(rho)
#endif
ENDIF ENDIF
! !
RETURN RETURN

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@ -11,33 +11,6 @@
! !
!---------------------------------------------------------------------------- !----------------------------------------------------------------------------
SUBROUTINE cdiaghg( n, m, h, s, ldh, e, v ) SUBROUTINE cdiaghg( n, m, h, s, ldh, e, v )
!----------------------------------------------------------------------------
!
! ... calculates eigenvalues and eigenvectors of the generalized problem
! ... Hv=eSv, with H hermitean matrix, S overlap matrix.
! ... On output both matrix are unchanged
!
USE kinds, ONLY : DP
!
IMPLICIT NONE
!
INTEGER, INTENT(IN) :: n, m, ldh
COMPLEX(DP), INTENT(INOUT) :: h(ldh,n), s(ldh,n)
REAL(DP), INTENT(OUT) :: e(n)
COMPLEX(DP), INTENT(OUT) :: v(ldh,m)
!
#if defined(__CUDA) && defined(__MAGMA)
CALL cdiaghg_gpu( n, m, h, s, ldh, e, v )
#else
CALL cdiaghg_compute( n, m, h, s, ldh, e, v )
#endif
!
RETURN
!
END SUBROUTINE cdiaghg
!----------------------------------------------------------------------------
SUBROUTINE cdiaghg_compute( n, m, h, s, ldh, e, v )
!---------------------------------------------------------------------------- !----------------------------------------------------------------------------
! !
! ... calculates eigenvalues and eigenvectors of the generalized problem ! ... calculates eigenvalues and eigenvectors of the generalized problem
@ -214,7 +187,7 @@ SUBROUTINE cdiaghg_compute( n, m, h, s, ldh, e, v )
! !
RETURN RETURN
! !
END SUBROUTINE cdiaghg_compute END SUBROUTINE cdiaghg
! !
!---------------------------------------------------------------------------- !----------------------------------------------------------------------------
SUBROUTINE pcdiaghg( n, h, s, ldh, e, v, desc ) SUBROUTINE pcdiaghg( n, h, s, ldh, e, v, desc )

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@ -241,11 +241,7 @@ SUBROUTINE newd( )
IF (tqr) THEN IF (tqr) THEN
CALL newq_r(v%of_r,deeq,.false.) CALL newq_r(v%of_r,deeq,.false.)
ELSE ELSE
#if defined(__CUDA) && !defined(__DISABLE_CUDA_NEWD)
CALL newq_compute_gpu(v%of_r,deeq,.false.)
#else
CALL newq(v%of_r,deeq,.false.) CALL newq(v%of_r,deeq,.false.)
#endif
END IF END IF
! !
IF (noncolin) call add_paw_to_deeq(deeq) IF (noncolin) call add_paw_to_deeq(deeq)

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@ -9,35 +9,6 @@
!---------------------------------------------------------------------------- !----------------------------------------------------------------------------
SUBROUTINE rdiaghg( n, m, h, s, ldh, e, v ) SUBROUTINE rdiaghg( n, m, h, s, ldh, e, v )
!---------------------------------------------------------------------------- !----------------------------------------------------------------------------
!
! ... calculates eigenvalues and eigenvectors of the generalized problem
! ... Hv=eSv, with H symmetric matrix, S overlap matrix.
! ... On output both matrix are unchanged
!
USE kinds, ONLY : DP
!
IMPLICIT NONE
!
INTEGER, INTENT(IN) :: n, m, ldh
REAL(DP), INTENT(INOUT) :: h(ldh,n), s(ldh,n)
REAL(DP), INTENT(OUT) :: e(n)
REAL(DP), INTENT(OUT) :: v(ldh,m)
!
#if defined(__CUDA) && defined(__MAGMA)
CALL rdiaghg_gpu( n, m, h, s, ldh, e, v )
#else
CALL rdiaghg_compute( n, m, h, s, ldh, e, v )
#endif
!
RETURN
!
END SUBROUTINE rdiaghg
!----------------------------------------------------------------------------
SUBROUTINE rdiaghg_compute( n, m, h, s, ldh, e, v )
!----------------------------------------------------------------------------
!
! ... calculates eigenvalues and eigenvectors of the generalized problem
! ... Hv=eSv, with H symmetric matrix, S overlap matrix. ! ... Hv=eSv, with H symmetric matrix, S overlap matrix.
! ... On output both matrix are unchanged ! ... On output both matrix are unchanged
! !
@ -196,7 +167,7 @@ SUBROUTINE rdiaghg_compute( n, m, h, s, ldh, e, v )
! !
RETURN RETURN
! !
END SUBROUTINE rdiaghg_compute END SUBROUTINE rdiaghg
! !
!---------------------------------------------------------------------------- !----------------------------------------------------------------------------
SUBROUTINE prdiaghg( n, h, s, ldh, e, v, desc ) SUBROUTINE prdiaghg( n, h, s, ldh, e, v, desc )

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@ -37,11 +37,6 @@ SUBROUTINE vloc_psi_gamma(lda, n, m, psi, v, hpsi)
COMPLEX(DP), ALLOCATABLE :: tg_psic(:) COMPLEX(DP), ALLOCATABLE :: tg_psic(:)
INTEGER :: v_siz, idx, ioff INTEGER :: v_siz, idx, ioff
! !
#if defined(__CUDA) && !defined(__DISABLE_CUDA_VLOCPSI) && ( !defined(__MPI) || defined(__USE_3D_FFT) )
CALL vloc_psi_gamma_gpu ( lda, n, m, psi, v, hpsi )
RETURN
#endif
!
incr = 2 incr = 2
! !
! The following is dirty trick to prevent usage of task groups if ! The following is dirty trick to prevent usage of task groups if
@ -226,11 +221,6 @@ SUBROUTINE vloc_psi_k(lda, n, m, psi, v, hpsi)
COMPLEX(DP), ALLOCATABLE :: tg_psic(:) COMPLEX(DP), ALLOCATABLE :: tg_psic(:)
INTEGER :: v_siz, idx, ioff INTEGER :: v_siz, idx, ioff
! !
#if defined(__CUDA) && !defined(__DISABLE_CUDA_VLOCPSI) && ( !defined(__MPI) || defined(__USE_3D_FFT) )
CALL vloc_psi_k_gpu ( lda, n, m, psi, v, hpsi )
RETURN
#endif
!
! The following is dirty trick to prevent usage of task groups if ! The following is dirty trick to prevent usage of task groups if
! the number of bands is smaller than the number of task groups ! the number of bands is smaller than the number of task groups
! !