dbcsr_reserve_diag_blocks Subroutine

public subroutine dbcsr_reserve_diag_blocks(matrix)

Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

Matrix into which blocks should be added.


Contents


Source Code

   SUBROUTINE dbcsr_reserve_diag_blocks(matrix)
      !! Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present

      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
         !! Matrix into which blocks should be added.

      INTEGER                                            :: blk_count, col, col_s, myrank, rank, &
                                                            row, row_s
      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: columns, rows
      LOGICAL                                            :: tr

      myrank = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))

      blk_count = 0
      ! should be possible to loop only over the local blockrows/blockcols
      DO row = 1, dbcsr_nblkrows_total(matrix)
         col = row
         tr = .FALSE.
         row_s = row; col_s = col
         CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
         IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) blk_count = blk_count + 1
      END DO

      ALLOCATE (rows(blk_count), columns(blk_count))

      blk_count = 0
      DO row = 1, dbcsr_nblkrows_total(matrix)
         col = row
         tr = .FALSE.
         row_s = row; col_s = col
         CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
         IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) THEN
            blk_count = blk_count + 1
            rows(blk_count) = row
            columns(blk_count) = col
         END IF
      END DO

      CALL dbcsr_reserve_blocks(matrix, rows, columns)

   END SUBROUTINE dbcsr_reserve_diag_blocks