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Fix Cray fortran errors

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This commit is contained in:
Anthony Scemama 2024-02-23 16:37:31 +01:00
parent b2395ece87
commit e0abd84059
2 changed files with 23 additions and 23 deletions
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10
org/qmckl_ao.org
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@ -3400,9 +3400,9 @@ function qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv) &
integer (qmckl_context) , intent(in) , value :: context integer (qmckl_context) , intent(in) , value :: context
real (c_double) , intent(in) :: X(3), R(3) real (c_double) , intent(in) :: X(3), R(3)
integer (c_int64_t) , intent(in) , value :: n integer (c_int64_t) , intent(in) , value :: n
integer (c_int64_t) , intent(in) , value :: ldv
real (c_double) , intent(in) :: A(n) real (c_double) , intent(in) :: A(n)
real (c_double) , intent(out) :: VGL(ldv,5) real (c_double) , intent(out) :: VGL(ldv,5)
integer (c_int64_t) , intent(in) , value :: ldv
integer (qmckl_exit_code) :: info integer (qmckl_exit_code) :: info
integer*8 :: i,j integer*8 :: i,j
@ -4532,10 +4532,10 @@ function qmckl_ao_polynomial_vgl_doc (context, &
real (c_double ) , intent(in) :: R(3) real (c_double ) , intent(in) :: R(3)
integer (c_int32_t) , intent(in) , value :: lmax integer (c_int32_t) , intent(in) , value :: lmax
integer (c_int64_t) , intent(inout) :: n integer (c_int64_t) , intent(inout) :: n
integer (c_int32_t) , intent(out) :: L(ldl,(lmax+1)*(lmax+2)*(lmax+3)/6)
integer (c_int64_t) , intent(in) , value :: ldl integer (c_int64_t) , intent(in) , value :: ldl
real (c_double ) , intent(out) :: VGL(ldv,(lmax+1)*(lmax+2)*(lmax+3)/6)
integer (c_int64_t) , intent(in) , value :: ldv integer (c_int64_t) , intent(in) , value :: ldv
integer (c_int32_t) , intent(out) :: L(ldl,(lmax+1)*(lmax+2)*(lmax+3)/6)
real (c_double ) , intent(out) :: VGL(ldv,(lmax+1)*(lmax+2)*(lmax+3)/6)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info
@ -4788,10 +4788,10 @@ function qmckl_ao_polynomial_transp_vgl_doc (context, &
real (c_double ) , intent(in) :: R(3) real (c_double ) , intent(in) :: R(3)
integer (c_int32_t) , intent(in) , value :: lmax integer (c_int32_t) , intent(in) , value :: lmax
integer (c_int64_t) , intent(inout) :: n integer (c_int64_t) , intent(inout) :: n
integer (c_int32_t) , intent(out) :: L(ldl,(lmax+1)*(lmax+2)*(lmax+3)/6)
integer (c_int64_t) , intent(in) , value :: ldl integer (c_int64_t) , intent(in) , value :: ldl
real (c_double ) , intent(out) :: VGL(ldv,5)
integer (c_int64_t) , intent(in) , value :: ldv integer (c_int64_t) , intent(in) , value :: ldv
integer (c_int32_t) , intent(out) :: L(ldl,(lmax+1)*(lmax+2)*(lmax+3)/6)
real (c_double ) , intent(out) :: VGL(ldv,5)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info

36
org/qmckl_blas.org
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@ -1757,10 +1757,10 @@ end function qmckl_adjugate
#+begin_src f90 :tangle (eval f) :exports none #+begin_src f90 :tangle (eval f) :exports none
subroutine adjugate2(A,LDA,B,LDB,na,det_l) subroutine adjugate2(A,LDA,B,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
double precision :: C(2,2) double precision :: C(2,2)
@ -1776,10 +1776,10 @@ end subroutine adjugate2
subroutine adjugate3(a,LDA,B,LDB,na,det_l) subroutine adjugate3(a,LDA,B,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
double precision :: C(4,3) double precision :: C(4,3)
@ -1800,10 +1800,10 @@ end subroutine adjugate3
subroutine adjugate4(a,LDA,B,LDB,na,det_l) subroutine adjugate4(a,LDA,B,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
double precision :: C(4,4) double precision :: C(4,4)
@ -1830,10 +1830,10 @@ end subroutine adjugate4
subroutine adjugate5(A,LDA,B,LDB,na,det_l) subroutine adjugate5(A,LDA,B,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
double precision :: C(8,5) double precision :: C(8,5)
@ -1870,10 +1870,10 @@ end subroutine adjugate5
subroutine cofactor2(a,LDA,b,LDB,na,det_l) subroutine cofactor2(a,LDA,b,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8 :: na integer*8 :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision :: det_l double precision :: det_l
det_l = a(1,1)*a(2,2) - a(1,2)*a(2,1) det_l = a(1,1)*a(2,2) - a(1,2)*a(2,1)
@ -1885,10 +1885,10 @@ end subroutine cofactor2
subroutine cofactor3(a,LDA,b,LDB,na,det_l) subroutine cofactor3(a,LDA,b,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
integer :: i integer :: i
@ -1912,10 +1912,10 @@ end subroutine cofactor3
subroutine cofactor4(a,LDA,b,LDB,na,det_l) subroutine cofactor4(a,LDA,b,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
integer :: i,j integer :: i,j
det_l = a(1,1)*(a(2,2)*(a(3,3)*a(4,4)-a(3,4)*a(4,3)) & det_l = a(1,1)*(a(2,2)*(a(3,3)*a(4,4)-a(3,4)*a(4,3)) &
@ -1955,10 +1955,10 @@ end subroutine cofactor4
subroutine cofactor5(A,LDA,B,LDB,na,det_l) subroutine cofactor5(A,LDA,B,LDB,na,det_l)
implicit none implicit none
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDA,na)
integer*8, intent(in) :: LDA, LDB integer*8, intent(in) :: LDA, LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
integer :: i,j integer :: i,j
@ -2163,11 +2163,11 @@ subroutine adjugate_general(context, na, A, LDA, B, LDB, det_l)
use qmckl use qmckl
implicit none implicit none
integer(qmckl_context), intent(in) :: context integer(qmckl_context), intent(in) :: context
double precision, intent(in) :: A (LDA,na)
integer*8, intent(in) :: LDA integer*8, intent(in) :: LDA
double precision, intent(out) :: B (LDB,na)
integer*8, intent(in) :: LDB integer*8, intent(in) :: LDB
integer*8, intent(in) :: na integer*8, intent(in) :: na
double precision, intent(in) :: A (LDA,na)
double precision, intent(out) :: B (LDB,na)
double precision, intent(inout) :: det_l double precision, intent(inout) :: det_l
double precision :: work(LDA*max(na,64)) double precision :: work(LDA*max(na,64))