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...and the Fortran interfaces to the C-functions.

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Francois Coppens 2023-02-15 18:49:12 +01:00
parent 54a51b6ecc
commit 4f0bdda4ff
1 changed files with 93 additions and 1 deletions
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94
org/qmckl_sherman_morrison_woodbury.org
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@ -917,7 +917,7 @@ qmckl_exit_code qmckl_slagel_splitting (
double* determinant );
#+end_src
*** C source
*** C sources
#+begin_src c :tangle (eval c) :comments org
qmckl_exit_code qmckl_slagel_splitting_hpc(
uint64_t LDS,
@ -1147,10 +1147,102 @@ qmckl_exit_code qmckl_slagel_splitting(
}
#+end_src
*** Fortran interfaces (exposed in qmckl_f.F90)
:PROPERTIES:
:Name: qmckl_slagel_splitting
:CRetType: qmckl_exit_code
:FRetType: qmckl_exit_code
:END:
#+CALL: generate_f_interface(table=qmckl_slagel_splitting_args,rettyp=get_value("FRetType"),fname="qmckl_slagel_splitting_hpc")
#+RESULTS:
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
interface
integer(c_int32_t) function qmckl_slagel_splitting_hpc &
(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, later_updates, later_index, later, determinant) &
bind(C)
use, intrinsic :: iso_c_binding
import
implicit none
integer (c_int64_t) , intent(in) , value :: LDS
integer (c_int64_t) , intent(in) , value :: Dim
integer (c_int64_t) , intent(in) , value :: N_updates
real (c_double ) , intent(in) :: Updates(N_updates*LDS)
integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
real (c_double ) , intent(in) , value :: breakdown
real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
real (c_double ) , intent(inout) :: later_updates(N_updates*LDS)
integer (c_int64_t) , intent(inout) :: later_index(N_updates)
integer (c_int64_t) , intent(inout) :: later
real (c_double ) , intent(inout) :: determinant
end function qmckl_slagel_splitting_hpc
end interface
#+end_src
#+CALL: generate_f_interface(table=qmckl_slagel_splitting_args,rettyp=get_value("FRetType"),fname="qmckl_slagel_splitting_doc")
#+RESULTS:
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
interface
integer(c_int32_t) function qmckl_slagel_splitting_doc &
(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, later_updates, later_index, later, determinant) &
bind(C)
use, intrinsic :: iso_c_binding
import
implicit none
integer (c_int64_t) , intent(in) , value :: LDS
integer (c_int64_t) , intent(in) , value :: Dim
integer (c_int64_t) , intent(in) , value :: N_updates
real (c_double ) , intent(in) :: Updates(N_updates*LDS)
integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
real (c_double ) , intent(in) , value :: breakdown
real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
real (c_double ) , intent(inout) :: later_updates(N_updates*LDS)
integer (c_int64_t) , intent(inout) :: later_index(N_updates)
integer (c_int64_t) , intent(inout) :: later
real (c_double ) , intent(inout) :: determinant
end function qmckl_slagel_splitting_doc
end interface
#+end_src
#+CALL: generate_f_interface(table=qmckl_slagel_splitting_args,rettyp=get_value("FRetType"),fname="qmckl_slagel_splitting")
#+RESULTS:
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
interface
integer(c_int32_t) function qmckl_slagel_splitting &
(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, later_updates, later_index, later, determinant) &
bind(C)
use, intrinsic :: iso_c_binding
import
implicit none
integer (c_int64_t) , intent(in) , value :: LDS
integer (c_int64_t) , intent(in) , value :: Dim
integer (c_int64_t) , intent(in) , value :: N_updates
real (c_double ) , intent(in) :: Updates(N_updates*LDS)
integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
real (c_double ) , intent(in) , value :: breakdown
real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
real (c_double ) , intent(inout) :: later_updates(N_updates*LDS)
integer (c_int64_t) , intent(inout) :: later_index(N_updates)
integer (c_int64_t) , intent(inout) :: later
real (c_double ) , intent(inout) :: determinant
end function qmckl_slagel_splitting
end interface
#+end_src
*** Performance
This function cannot be used by itself and is used in Sherman-Morrison with update splitting and Woodbury 3x3 and 2x2
with Sherman-Morrison and update splitting. Please look at the performance reccomendations for those two kernels.
* End of files
#+begin_src c :comments link :tangle (eval c_test)