qmckl/org/qmckl_blas.org

#+TITLE: BLAS functions
#+SETUPFILE: ../tools/theme.setup
#+INCLUDE: ../tools/lib.org

* Headers                                                         :noexport:
  #+begin_src elisp :noexport :results none
(org-babel-lob-ingest "../tools/lib.org")
#+end_src

  #+begin_src c :comments link :tangle (eval c_test) :noweb yes
#include "qmckl.h"
#include "assert.h"
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif
int main() {
  qmckl_context context;
  context = qmckl_context_create();

  #+end_src

* Matrix operations

** ~qmckl_dgemm~

   Matrix multiply l$C_{ij} = \beta C_{ij} + \alpha \sum_{k} A_{ik} \cdot B_{kj}$ using Fortran ~matmul~ function.
   TODO: Add description about the external library dependence.

   #+NAME: qmckl_dgemm_args
   | qmckl_context | context  | in  | Global state                                 |
   | bool          | TransA   | in  | Number of rows of the input matrix           |
   | bool          | TransB   | in  | Number of rows of the input matrix           |
   | int64_t       | m        | in  | Number of rows of the input matrix           |
   | int64_t       | n        | in  | Number of columns of the input matrix        |
   | int64_t       | k        | in  | Number of columns of the input matrix        |
   | double        | alpha    | in  | Number of columns of the input matrix        |
   | double        | A[][lda] | in  | Array containing the $m \times n$ matrix $A$ |
   | int64_t       | lda      | in  | Leading dimension of array ~A~               |
   | double        | B[][ldb] | in  | Array containing the $n \times m$ matrix $B$ |
   | int64_t       | ldb      | in  | Leading dimension of array ~B~               |
   | double        | beta     | in  | Array containing the $n \times m$ matrix $B$ |
   | double        | C[][ldc] | out | Array containing the $n \times m$ matrix $B$ |
   | int64_t       | ldc      | in  | Leading dimension of array ~B~               |
   
*** Requirements

    - ~context~ is not ~QMCKL_NULL_CONTEXT~
    - ~m > 0~
    - ~n > 0~
    - ~k > 0~
    - ~lda >= m~
    - ~ldb >= n~
    - ~ldc >= n~
    - ~A~ is allocated with at least $m \times k \times 8$ bytes
    - ~B~ is allocated with at least $k \times n \times 8$ bytes
    - ~C~ is allocated with at least $m \times n \times 8$ bytes

*** C header

    #+CALL: generate_c_header(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")

    #+RESULTS:
    #+BEGIN_src c :tangle (eval h_func) :comments org
    qmckl_exit_code qmckl_dgemm (
	  const qmckl_context context,
	  const bool TransA,
	  const bool TransB,
	  const int64_t m,
	  const int64_t n,
	  const int64_t k,
	  const double alpha,
	  const double* A,
	  const int64_t lda,
	  const double* B,
	  const int64_t ldb,
	  const double beta,
	  double* const C,
	  const int64_t ldc ); 
    #+END_src


*** Source
    #+begin_src f90 :tangle (eval f)
integer function qmckl_dgemm_f(context, TransA, TransB, m, n, k, alpha, A, LDA, B, LDB, beta, C, LDC) &
     result(info)
  use qmckl
  implicit none
  integer(qmckl_context)  , intent(in)  :: context
  logical*8  , intent(in)  :: TransA, TransB
  integer*8  , intent(in)  :: m, n, k
  real*8     , intent(in)  :: alpha, beta
  integer*8  , intent(in)  :: lda
  real*8     , intent(in)  :: A(m,k)
  integer*8  , intent(in)  :: ldb
  real*8     , intent(in)  :: B(k,n)
  integer*8  , intent(in)  :: ldc
  real*8     , intent(out) :: C(m,n)

  integer*8 :: i,j,l

  info = QMCKL_SUCCESS

  if (context == QMCKL_NULL_CONTEXT) then
     info = QMCKL_INVALID_CONTEXT
     return
  endif

  if (m <= 0_8) then
     info = QMCKL_INVALID_ARG_4
     return
  endif

  if (n <= 0_8) then
     info = QMCKL_INVALID_ARG_5
     return
  endif

  if (k <= 0_8) then
     info = QMCKL_INVALID_ARG_6
     return
  endif

  if (LDA .ne. m) then
     info = QMCKL_INVALID_ARG_9
     return
  endif

  if (LDB .ne. k) then
     info = QMCKL_INVALID_ARG_10
     return
  endif

  if (LDC .ne. m) then
     info = QMCKL_INVALID_ARG_13
     return
  endif

  C = matmul(A,B)
end function qmckl_dgemm_f
    #+end_src

*** C interface                                                    :noexport:

    #+CALL: generate_c_interface(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")

    #+RESULTS:
    #+BEGIN_src f90 :tangle (eval f) :comments org :exports none
    integer(c_int32_t) function qmckl_dgemm &
	(context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc) &
	bind(C) result(info)

      use, intrinsic :: iso_c_binding
      implicit none

      integer (c_int64_t) , intent(in)  , value :: context
      logical             , intent(in)  , value :: TransA
      logical             , intent(in)  , value :: TransB
      integer (c_int64_t) , intent(in)  , value :: m
      integer (c_int64_t) , intent(in)  , value :: n
      integer (c_int64_t) , intent(in)  , value :: k
      real    (c_double ) , intent(in)  , value :: alpha
      integer (c_int64_t) , intent(in)  , value :: lda
      real    (c_double ) , intent(in)          :: A(lda,*)
      integer (c_int64_t) , intent(in)  , value :: ldb
      real    (c_double ) , intent(in)          :: B(ldb,*)
      real    (c_double ) , intent(in)  , value :: beta
      integer (c_int64_t) , intent(in)  , value :: ldc
      real    (c_double ) , intent(out)         :: C(ldc,*)

      integer(c_int32_t), external :: qmckl_dgemm_f
      info = qmckl_dgemm_f &
	     (context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc)

    end function qmckl_dgemm
    #+END_src


    #+CALL: generate_f_interface(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")

    #+RESULTS:
    #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
    interface
      integer(c_int32_t) function qmckl_dgemm &
          (context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc) &
          bind(C)
        use, intrinsic :: iso_c_binding
        import
        implicit none

        integer (c_int64_t) , intent(in)  , value :: context
        logical             , intent(in)  , value :: TransA
        logical             , intent(in)  , value :: TransB
        integer (c_int64_t) , intent(in)  , value :: m
        integer (c_int64_t) , intent(in)  , value :: n
        integer (c_int64_t) , intent(in)  , value :: k
        real    (c_double ) , intent(in)  , value :: alpha
        integer (c_int64_t) , intent(in)  , value :: lda
        real    (c_double ) , intent(in)          :: A(lda,*)
        integer (c_int64_t) , intent(in)  , value :: ldb
        real    (c_double ) , intent(in)          :: B(ldb,*)
        real    (c_double ) , intent(in)  , value :: beta
        integer (c_int64_t) , intent(in)  , value :: ldc
        real    (c_double ) , intent(out)         :: C(ldc,*)

      end function qmckl_dgemm
    end interface
    #+end_src

*** Test                                                           :noexport:
    #+begin_src f90 :tangle (eval f_test)
integer(qmckl_exit_code) function test_qmckl_dgemm(context) bind(C)
  use qmckl
  implicit none
  integer(qmckl_context), intent(in), value :: context

  double precision, allocatable :: A(:,:), B(:,:), C(:,:), D(:,:)
  integer*8                     :: m, n, k, LDA, LDB, LDC
  integer*8                     :: i,j,l
  logical                       :: TransA, TransB
  double precision              :: x, alpha, beta

  TransA = .False.
  TransB = .False. 
  m = 5_8
  k = 4_8
  n = 6_8
  LDA = m
  LDB = k
  LDC = m

  allocate( A(LDA,k), B(LDB,n) , C(LDC,n), D(LDC,n))

  A = 0.d0
  B = 0.d0
  C = 0.d0
  D = 0.d0
  alpha = 1.0d0
  beta  = 0.0d0
  do j=1,k
     do i=1,m
        A(i,j) = -10.d0 + dble(i+j)
     end do
  end do

  do j=1,n
     do i=1,k
        B(i,j) = -10.d0 + dble(i+j)
     end do
  end do

  test_qmckl_dgemm = qmckl_dgemm(context, TransA, TransB, m, n, k, alpha, A, LDA, B, LDB, beta, C, LDC)

  if (test_qmckl_dgemm /= QMCKL_SUCCESS) return

  test_qmckl_dgemm = QMCKL_FAILURE

  x = 0.d0
  do j=1,n
     do i=1,m
       do l=1,k
          D(i,j) = D(i,j) + A(i,l)*B(l,j)
       end do
       x = x + (D(i,j) - C(i,j))**2
     end do
  end do

  if (dabs(x) <= 1.d-15) then
     test_qmckl_dgemm = QMCKL_SUCCESS
  endif

  deallocate(A,B,C,D)
end function test_qmckl_dgemm
    #+end_src

    #+begin_src c :comments link :tangle (eval c_test)
qmckl_exit_code test_qmckl_dgemm(qmckl_context context);
assert(QMCKL_SUCCESS == test_qmckl_dgemm(context));
    #+end_src

* End of files                                                     :noexport:

   #+begin_src c :comments link :tangle (eval c_test)
  assert (qmckl_context_destroy(context) == QMCKL_SUCCESS);
  return 0;
}

   #+end_src


# -*- mode: org -*-
# vim: syntax=c