From b2395ece873c027b79442a4a5e9bcda9a32087f0 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 23 Feb 2024 16:15:56 +0100 Subject: [PATCH] Ordering problem in Fortran interface fixed --- org/qmckl_blas.org | 42 ++++++++++++++++++------------------ org/qmckl_distance.org | 48 +++++++++++++++++++++--------------------- 2 files changed, 45 insertions(+), 45 deletions(-) diff --git a/org/qmckl_blas.org b/org/qmckl_blas.org index cafcb4b..9dd96d2 100644 --- a/org/qmckl_blas.org +++ b/org/qmckl_blas.org @@ -991,13 +991,13 @@ function qmckl_dgemm(context, TransA, TransB, & 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 + real (c_double ) , intent(in) , value :: beta + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,*) integer(qmckl_exit_code) :: info #ifdef HAVE_LIBQMCKLDGEMM @@ -1114,13 +1114,13 @@ end function qmckl_dgemm 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 + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,*) end function qmckl_dgemm end interface @@ -1282,16 +1282,16 @@ function qmckl_dgemm_safe(context, TransA, TransB, & 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 :: size_A integer (c_int64_t) , intent(in) , value :: lda - real (c_double ) , intent(in) :: B(ldb,*) integer (c_int64_t) , intent(in) , value :: size_B 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 :: size_C integer (c_int64_t) , intent(in) , value :: ldc + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,*) integer(qmckl_exit_code) :: info info = QMCKL_SUCCESS @@ -1373,16 +1373,16 @@ end function qmckl_dgemm_safe 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 :: size_max_A integer (c_int64_t) , intent(in) , value :: lda - real (c_double ) , intent(in) :: B(ldb,*) integer (c_int64_t) , intent(in) , value :: size_max_B 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 :: size_max_C integer (c_int64_t) , intent(in) , value :: ldc + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,*) end function qmckl_dgemm_safe end interface @@ -1706,11 +1706,11 @@ function qmckl_adjugate(context, n, A, LDA, B, ldb, det_l) & integer (qmckl_context), intent(in) , value :: context integer (c_int64_t) , intent(in) , value :: n - real (c_double ) , intent(in) :: A(lda,*) integer (c_int64_t) , intent(in) , value :: lda - real (c_double ) , intent(out) :: B(ldb,*) integer (c_int64_t) , intent(in) , value :: ldb real (c_double ) , intent(inout) :: det_l + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(out) :: B(ldb,*) integer(qmckl_exit_code) :: info info = QMCKL_SUCCESS @@ -2147,11 +2147,11 @@ end integer (qmckl_context), intent(in) , value :: context integer (c_int64_t) , intent(in) , value :: n - real (c_double ) , intent(in) :: A(lda,*) integer (c_int64_t) , intent(in) , value :: lda - real (c_double ) , intent(out) :: B(ldb,*) integer (c_int64_t) , intent(in) , value :: ldb real (c_double ) , intent(inout) :: det_l + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(out) :: B(ldb,*) end function qmckl_adjugate end interface @@ -2571,13 +2571,13 @@ function qmckl_adjugate_safe(context, & integer (qmckl_context), intent(in) , value :: context integer (c_int64_t) , intent(in) , value :: na - real (c_double ) , intent(in) :: A(lda,*) integer (c_int64_t) , intent(in) , value :: size_A integer (c_int64_t) , intent(in) , value :: lda - real (c_double ) , intent(out) :: B(ldb,*) integer (c_int64_t) , intent(in) , value :: size_B integer (c_int64_t) , intent(in) , value :: ldb real (c_double ) , intent(inout) :: det_l + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(out) :: B(ldb,*) integer(qmckl_exit_code) :: info @@ -2624,13 +2624,13 @@ end function qmckl_adjugate_safe integer (qmckl_context), intent(in) , value :: context integer (c_int64_t) , intent(in) , value :: n - real (c_double ) , intent(in) :: A(lda,*) integer (c_int64_t) , intent(in) , value :: size_max_A integer (c_int64_t) , intent(in) , value :: lda - real (c_double ) , intent(out) :: B(ldb,*) integer (c_int64_t) , intent(in) , value :: size_max_B integer (c_int64_t) , intent(in) , value :: ldb real (c_double ) , intent(inout) :: det_l + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(out) :: B(ldb,*) end function qmckl_adjugate_safe end interface diff --git a/org/qmckl_distance.org b/org/qmckl_distance.org index 324fdd1..404d0e9 100644 --- a/org/qmckl_distance.org +++ b/org/qmckl_distance.org @@ -102,12 +102,12 @@ function qmckl_distance_sq(context, transa, transb, m, n, & character(c_char) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(ldc,n) integer (c_int64_t) , intent(in) , value :: ldc + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,n) integer(qmckl_exit_code) :: info @@ -247,12 +247,12 @@ end function qmckl_distance_sq character(c_char ) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(ldc,n) integer (c_int64_t) , intent(in) , value :: ldc + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,n) end function qmckl_distance_sq end interface @@ -476,12 +476,12 @@ function qmckl_distance(context, transa, transb, m, n, & character(c_char) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(ldc,n) integer (c_int64_t) , intent(in) , value :: ldc + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,n) integer (qmckl_exit_code) :: info integer*8 :: i,j @@ -627,12 +627,12 @@ end function qmckl_distance character(c_char ) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(ldc,n) integer (c_int64_t) , intent(in) , value :: ldc + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,n) end function qmckl_distance end interface @@ -871,13 +871,13 @@ function qmckl_distance_rescaled(context, transa, transb, m, n, & character(c_char ) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(ldc,n) integer (c_int64_t) , intent(in) , value :: ldc real (c_double ) , intent(in) , value :: rescale_factor_kappa + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,n) integer(qmckl_exit_code) :: info integer*8 :: i,j @@ -1031,13 +1031,13 @@ end function qmckl_distance_rescaled character(c_char ) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(ldc,n) integer (c_int64_t) , intent(in) , value :: ldc real (c_double ) , intent(in) , value :: rescale_factor_kappa + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(ldc,n) end function qmckl_distance_rescaled end interface @@ -1337,13 +1337,13 @@ function qmckl_distance_rescaled_gl(context, transa, transb, m, n, & character(c_char ) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(4,ldc,n) integer (c_int64_t) , intent(in) , value :: ldc real (c_double ) , intent(in) , value :: rescale_factor_kappa + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(4,ldc,n) integer*8 :: i,j real*8 :: x, y, z, dist, dist_inv @@ -1512,13 +1512,13 @@ end function qmckl_distance_rescaled_gl character(c_char ) , intent(in) , value :: transb integer (c_int64_t) , intent(in) , value :: m integer (c_int64_t) , intent(in) , value :: n - 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(out) :: C(4,ldc,n) integer (c_int64_t) , intent(in) , value :: ldc real (c_double ) , intent(in) , value :: rescale_factor_kappa + real (c_double ) , intent(in) :: A(lda,*) + real (c_double ) , intent(in) :: B(ldb,*) + real (c_double ) , intent(out) :: C(4,ldc,n) end function qmckl_distance_rescaled_gl end interface