mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-11-19 20:42:50 +01:00
288 lines
8.4 KiB
Org Mode
288 lines
8.4 KiB
Org Mode
|
#+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.
|
||
|
|
|
||
|
|
#+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, TransN
|
||
|
|
integer*8 , intent(in) :: m, n, k
|
||
|
|
integer*8 , intent(in) :: lda
|
||
|
|
real*8 , intent(in) :: A(lda,*)
|
||
|
|
integer*8 , intent(in) :: ldb
|
||
|
|
real*8 , intent(in) :: B(ldb,*)
|
||
|
|
integer*8 , intent(in) :: ldc
|
||
|
|
real*8 , intent(out) :: C(ldc,*)
|
||
|
|
|
||
|
|
integer*8 :: i,j
|
||
|
|
|
||
|
|
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 < m) then
|
||
|
|
info = QMCKL_INVALID_ARG_9
|
||
|
|
return
|
||
|
|
endif
|
||
|
|
|
||
|
|
if (LDB < n) then
|
||
|
|
info = QMCKL_INVALID_ARG_10
|
||
|
|
return
|
||
|
|
endif
|
||
|
|
|
||
|
|
if (LDB < n) 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*8 , intent(in) , value :: TransA
|
||
|
|
logical*8 , 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
|
||
|
|
real (c_double ) , intent(in) :: A(lda,*)
|
||
|
|
integer (c_int64_t) , intent(in) , value :: lda
|
||
|
|
real (c_double ) , intent(in) :: B(ldb,*)
|
||
|
|
integer (c_int64_t) , intent(in) , value :: ldb
|
||
|
|
real (c_double ) , intent(in) , value :: beta
|
||
|
|
real (c_double ) , intent(out) :: C(ldc,*)
|
||
|
|
integer (c_int64_t) , intent(in) , value :: 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, beat, C, ldc) &
|
||
|
|
bind(C)
|
||
|
|
use, intrinsic :: iso_c_binding
|
||
|
|
import
|
||
|
|
implicit none
|
||
|
|
|
||
|
|
integer (c_int64_t) , intent(in) , value :: context
|
||
|
|
logical*8 (c_bool) , intent(in) , value :: TransA
|
||
|
|
logical*8 (c_bool) , 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) :: alpha
|
||
|
|
real (c_double ) , intent(in) :: A(lda,*)
|
||
|
|
integer (c_int64_t) , intent(in) , value :: lda
|
||
|
|
real (c_double ) , intent(in) :: B(ldb,*)
|
||
|
|
integer (c_int64_t) , intent(in) , value :: ldb
|
||
|
|
real (c_double ) , intent(in) :: beta
|
||
|
|
real (c_double ) , intent(out) :: C(ldb,*)
|
||
|
|
integer (c_int64_t) , intent(in) , value :: ldb
|
||
|
|
|
||
|
|
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
|
||
|
|
logical*8 :: TransA, TransB
|
||
|
|
double precision :: x
|
||
|
|
|
||
|
|
TransA = .False.
|
||
|
|
TransB = .False.
|
||
|
|
m = 5
|
||
|
|
k = 4
|
||
|
|
n = 6
|
||
|
|
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
|
||
|
|
do j=1,m
|
||
|
|
do i=1,k
|
||
|
|
A(i,j) = -10.d0 + dble(i+j)
|
||
|
|
end do
|
||
|
|
end do
|
||
|
|
|
||
|
|
do j=1,k
|
||
|
|
do i=1,n
|
||
|
|
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,m
|
||
|
|
do i=l,n
|
||
|
|
do l=1,k
|
||
|
|
D(i,j) += D(i,j) + (A(i,k)*B(k,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)
|
||
|
|
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
|