Commit caed1564 authored by giannozz's avatar giannozz

Merge branch 'develop' into 'develop'

Debug in the case of ultra-dense grids

See merge request !208
parents 2798894f b1ce6db9
......@@ -143,14 +143,18 @@
#if defined(__MPI)
INTEGER (kind=MPI_OFFSET_KIND), INTENT (in) :: nktot
!! nktot k-points splited over pools
INTEGER (kind=MPI_OFFSET_KIND), INTENT (out) :: lower_bnd
!! Lower kpt bounds for that image pool
INTEGER (kind=MPI_OFFSET_KIND), INTENT (out) :: upper_bnd
!! Upper kpt for that image pool
#else
INTEGER (KIND=8), INTENT (IN) :: nktot
!! nktot k-points splited over pools
#endif
INTEGER, INTENT (out) :: lower_bnd
INTEGER (KIND=8), INTENT (out) :: lower_bnd
!! Lower kpt bounds for that image pool
INTEGER, INTENT (out) :: upper_bnd
INTEGER (KIND=8), INTENT (out) :: upper_bnd
!! Upper kpt for that image pool
#endif
!
#if defined(__MPI)
!
......
......@@ -225,6 +225,8 @@
CALL mp_bcast( s_BZtoIBZ, ionode_id, inter_pool_comm )
CALL mp_bcast( BZtoIBZ, ionode_id, inter_pool_comm )
CALL mp_bcast( BZtoIBZ_mat, ionode_id, inter_pool_comm )
!
WRITE(stdout,'(5x,"Symmetry mapping finished")')
!
DO ind=1, nind
iq = sparse_q( ind )
......@@ -471,7 +473,6 @@
iunsparsei, iunsparsej, iunsparset, iunsparseqcb, &
iunsparsekcb, iunrestart, iunsparseicb, iunsparsejcb,&
iunsparsetcb, iunepmatcb
USE transportcom, ONLY : lower_bnd, upper_bnd
USE mp, ONLY : mp_bcast
USE division, ONLY : fkbounds2
USE symm_base, ONLY : nrot
......@@ -554,6 +555,10 @@
!! Local core offset for reading
INTEGER (kind=MPI_OFFSET_KIND) :: lsize
!! Offset to tell where to start reading the file
INTEGER (kind=MPI_OFFSET_KIND) :: lower_bnd
!! start for current CPU
INTEGER (kind=MPI_OFFSET_KIND) :: upper_bnd
!! end for current CPU
#else
INTEGER (kind=8) :: lrepmatw2
!! Local core offset for reading
......@@ -561,6 +566,10 @@
!! Local core offset for reading
INTEGER (kind=8) :: lsize
!! Offset to tell where to start reading the file
INTEGER (kind=8) :: lower_bnd
!! start for current CPU
INTEGER (kind=8) :: upper_bnd
!! end for current CPU
#endif
!
REAL(kind=DP) :: dum1
......@@ -625,7 +634,7 @@
IF( ierr /= 0 ) CALL errore( 'iter_restart', 'error in MPI_FILE_OPEN X.epmatkq1',1 )
!
! Offset depending on CPU
lrepmatw2 = INT( lower_bnd -1, kind = MPI_OFFSET_KIND ) * 8_MPI_OFFSET_KIND
lrepmatw2 = INT( lower_bnd - 1_MPI_OFFSET_KIND, kind = MPI_OFFSET_KIND ) * 8_MPI_OFFSET_KIND
!
! Size of what we read
lsize = INT( nind , kind = MPI_OFFSET_KIND )
......@@ -658,7 +667,7 @@
sparse_j(:) = 0.0d0
sparse_t(:) = 0.0d0
!
lrepmatw4 = INT( lower_bnd - 1, kind = MPI_OFFSET_KIND ) * 4_MPI_OFFSET_KIND
lrepmatw4 = INT( lower_bnd - 1_MPI_OFFSET_KIND, kind = MPI_OFFSET_KIND ) * 4_MPI_OFFSET_KIND
!
CALL MPI_FILE_SEEK(iunsparseq, lrepmatw4, MPI_SEEK_SET, ierr)
IF( ierr /= 0 ) CALL errore( 'iter_restart', 'error in MPI_FILE_SEEK',1 )
......@@ -720,7 +729,7 @@
IF( ierr /= 0 ) CALL errore( 'iter_restart', 'error in MPI_FILE_OPEN X.epmatkq1', 1 )
!
! Offset depending on CPU
lrepmatw2 = INT( lower_bnd-1, kind = MPI_OFFSET_KIND ) * 8_MPI_OFFSET_KIND
lrepmatw2 = INT( lower_bnd - 1_MPI_OFFSET_KIND, kind = MPI_OFFSET_KIND ) * 8_MPI_OFFSET_KIND
!
! Size of what we read
lsize = INT( nind, kind = MPI_OFFSET_KIND )
......@@ -753,7 +762,7 @@
sparsecb_j(:) = 0.0d0
sparsecb_t(:) = 0.0d0
!
lrepmatw4 = INT( lower_bnd - 1, kind = MPI_OFFSET_KIND ) * 4_MPI_OFFSET_KIND
lrepmatw4 = INT( lower_bnd - 1_MPI_OFFSET_KIND, kind = MPI_OFFSET_KIND ) * 4_MPI_OFFSET_KIND
!
CALL MPI_FILE_SEEK(iunsparseqcb, lrepmatw4, MPI_SEEK_SET, ierr)
IF( ierr /= 0 ) CALL errore( 'iter_restart', 'error in MPI_FILE_SEEK iunsparseqcb',1 )
......
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