mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-07-01 08:56:29 +02:00
336 lines
9.3 KiB
Org Mode
336 lines
9.3 KiB
Org Mode
#+TITLE: BLAS functions
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#+SETUPFILE: ../tools/theme.setup
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#+INCLUDE: ../tools/lib.org
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* Headers :noexport:
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#+begin_src elisp :noexport :results none
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(org-babel-lob-ingest "../tools/lib.org")
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#+end_src
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#+begin_src c :comments link :tangle (eval c_test) :noweb yes
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#include "qmckl.h"
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#include "assert.h"
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#ifdef HAVE_CONFIG_H
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#include "config.h"
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#endif
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int main() {
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qmckl_context context;
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context = qmckl_context_create();
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#+end_src
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* Matrix operations
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** ~qmckl_dgemm~
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Matrix multiply: $C_{ij} = \beta C_{ij} + \alpha \sum_{k} A_{ik} \cdot B_{kj}$ using Fortran ~matmul~ function.
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TODO: Add description about the external library dependence.
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#+NAME: qmckl_dgemm_args
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| qmckl_context | context | in | Global state |
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| bool | TransA | in | Number of rows of the input matrix |
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| bool | TransB | in | Number of rows of the input matrix |
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| int64_t | m | in | Number of rows of the input matrix |
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| int64_t | n | in | Number of columns of the input matrix |
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| int64_t | k | in | Number of columns of the input matrix |
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| double | alpha | in | Number of columns of the input matrix |
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| double | A[][lda] | in | Array containing the $m \times n$ matrix $A$ |
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| int64_t | lda | in | Leading dimension of array ~A~ |
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| double | B[][ldb] | in | Array containing the $n \times m$ matrix $B$ |
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| int64_t | ldb | in | Leading dimension of array ~B~ |
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| double | beta | in | Array containing the $n \times m$ matrix $B$ |
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| double | C[][ldc] | out | Array containing the $n \times m$ matrix $B$ |
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| int64_t | ldc | in | Leading dimension of array ~B~ |
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*** Requirements
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- ~context~ is not ~QMCKL_NULL_CONTEXT~
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- ~m > 0~
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- ~n > 0~
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- ~k > 0~
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- ~lda >= m~
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- ~ldb >= n~
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- ~ldc >= n~
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- ~A~ is allocated with at least $m \times k \times 8$ bytes
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- ~B~ is allocated with at least $k \times n \times 8$ bytes
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- ~C~ is allocated with at least $m \times n \times 8$ bytes
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*** C header
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#+CALL: generate_c_header(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")
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#+RESULTS:
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#+BEGIN_src c :tangle (eval h_func) :comments org
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qmckl_exit_code qmckl_dgemm (
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const qmckl_context context,
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const bool TransA,
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const bool TransB,
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const int64_t m,
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const int64_t n,
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const int64_t k,
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const double alpha,
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const double* A,
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const int64_t lda,
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const double* B,
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const int64_t ldb,
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const double beta,
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double* const C,
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const int64_t ldc );
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#+END_src
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*** Source
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#+begin_src f90 :tangle (eval f)
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integer function qmckl_dgemm_f(context, TransA, TransB, m, n, k, alpha, A, LDA, B, LDB, beta, C, LDC) &
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result(info)
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use qmckl
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implicit none
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integer(qmckl_context) , intent(in) :: context
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logical*8 , intent(in) :: TransA, TransB
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integer*8 , intent(in) :: m, n, k
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real*8 , intent(in) :: alpha, beta
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integer*8 , intent(in) :: lda
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real*8 , intent(in) :: A(m,k)
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integer*8 , intent(in) :: ldb
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real*8 , intent(in) :: B(k,n)
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integer*8 , intent(in) :: ldc
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real*8 , intent(out) :: C(m,n)
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real*8, allocatable :: AT(:,:), BT(:,:), CT(:,:)
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integer*8 :: i,j,l, LDA_2, LDB_2
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info = QMCKL_SUCCESS
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if (TransA) then
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allocate(AT(k,m))
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do i = 1, m
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do j = 1, k
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AT(j,i) = A(i,j)
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end do
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end do
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LDA_2 = M
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else
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LDA_2 = LDA
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endif
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if (TransB) then
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allocate(BT(n,k))
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do i = 1, k
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do j = 1, n
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BT(j,i) = B(i,j)
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end do
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end do
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LDB_2 = K
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else
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LDB_2 = LDB
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endif
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if (context == QMCKL_NULL_CONTEXT) then
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info = QMCKL_INVALID_CONTEXT
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return
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endif
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if (m <= 0_8) then
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info = QMCKL_INVALID_ARG_4
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return
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endif
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if (n <= 0_8) then
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info = QMCKL_INVALID_ARG_5
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return
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endif
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if (k <= 0_8) then
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info = QMCKL_INVALID_ARG_6
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return
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endif
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if (LDA_2 /= m) then
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info = QMCKL_INVALID_ARG_9
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return
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endif
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if (LDB_2 /= k) then
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info = QMCKL_INVALID_ARG_10
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return
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endif
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if (LDC /= m) then
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info = QMCKL_INVALID_ARG_13
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return
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endif
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if (TransA) then
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if (alpha == 1.d0 .and. beta == 0.d0) then
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C = matmul(AT,B)
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else
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C = beta*C + alpha*matmul(AT,B)
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endif
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else if (TransB) then
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if (alpha == 1.d0 .and. beta == 0.d0) then
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C = matmul(A,BT)
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else
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C = beta*C + alpha*matmul(A,BT)
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endif
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else
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if (alpha == 1.d0 .and. beta == 0.d0) then
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C = matmul(A,B)
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else
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C = beta*C + alpha*matmul(A,B)
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endif
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endif
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end function qmckl_dgemm_f
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#+end_src
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*** C interface :noexport:
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#+CALL: generate_c_interface(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")
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#+RESULTS:
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#+BEGIN_src f90 :tangle (eval f) :comments org :exports none
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integer(c_int32_t) function qmckl_dgemm &
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(context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc) &
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bind(C) result(info)
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use, intrinsic :: iso_c_binding
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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logical*8 , intent(in) , value :: TransA
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logical*8 , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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real (c_double ) , intent(in) , value :: alpha
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(in) , value :: beta
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(out) :: C(ldc,*)
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integer(c_int32_t), external :: qmckl_dgemm_f
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info = qmckl_dgemm_f &
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(context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc)
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end function qmckl_dgemm
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#+END_src
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#+CALL: generate_f_interface(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")
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#+RESULTS:
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#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
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interface
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integer(c_int32_t) function qmckl_dgemm &
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(context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc) &
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bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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logical*8 , intent(in) , value :: TransA
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logical*8 , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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real (c_double ) , intent(in) , value :: alpha
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(in) , value :: beta
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(out) :: C(ldc,*)
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end function qmckl_dgemm
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end interface
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#+end_src
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*** Test :noexport:
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#+begin_src f90 :tangle (eval f_test)
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integer(qmckl_exit_code) function test_qmckl_dgemm(context) bind(C)
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use qmckl
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implicit none
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integer(qmckl_context), intent(in), value :: context
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double precision, allocatable :: A(:,:), B(:,:), C(:,:), D(:,:)
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integer*8 :: m, n, k, LDA, LDB, LDC
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integer*8 :: i,j,l
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logical*8 :: TransA, TransB
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double precision :: x, alpha, beta
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TransA = .False.
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TransB = .False.
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m = 1_8
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k = 4_8
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n = 6_8
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LDA = m
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LDB = k
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LDC = m
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allocate( A(LDA,k), B(LDB,n) , C(LDC,n), D(LDC,n))
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A = 0.d0
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B = 0.d0
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C = 0.d0
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D = 0.d0
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alpha = 1.0d0
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beta = 0.0d0
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do j=1,k
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do i=1,m
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A(i,j) = -10.d0 + dble(i+j)
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end do
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end do
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do j=1,n
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do i=1,k
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B(i,j) = -10.d0 + dble(i+j)
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end do
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end do
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test_qmckl_dgemm = qmckl_dgemm(context, TransA, TransB, m, n, k, alpha, A, LDA, B, LDB, beta, C, LDC)
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if (test_qmckl_dgemm /= QMCKL_SUCCESS) return
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test_qmckl_dgemm = QMCKL_FAILURE
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x = 0.d0
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do j=1,n
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do i=1,m
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do l=1,k
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D(i,j) = D(i,j) + A(i,l)*B(l,j)
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end do
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x = x + (D(i,j) - C(i,j))**2
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end do
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end do
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if (dabs(x) <= 1.d-15) then
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test_qmckl_dgemm = QMCKL_SUCCESS
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endif
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deallocate(A,B,C,D)
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end function test_qmckl_dgemm
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#+end_src
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#+begin_src c :comments link :tangle (eval c_test)
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qmckl_exit_code test_qmckl_dgemm(qmckl_context context);
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assert(QMCKL_SUCCESS == test_qmckl_dgemm(context));
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#+end_src
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* End of files :noexport:
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#+begin_src c :comments link :tangle (eval c_test)
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assert (qmckl_context_destroy(context) == QMCKL_SUCCESS);
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return 0;
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}
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#+end_src
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# -*- mode: org -*-
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# vim: syntax=c
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