mirror of https://gitlab.com/QEF/q-e.git
__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:
parent
a02ad988eb
commit
ff7d127a8c
|
@ -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
|
||||||
|
|
|
@ -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
|
||||||
|
|
|
@ -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 )
|
||||||
|
|
|
@ -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)
|
||||||
|
|
|
@ -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 )
|
||||||
|
|
|
@ -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
|
||||||
!
|
!
|
||||||
|
|
Loading…
Reference in New Issue