mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-07-03 09:56:10 +02:00
Added Woodbury 2x2 kernel template generator.
This commit is contained in:
Francois Coppens
parent
2d02b8cd63
commit
c58cf3c7f6
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@ -28,9 +28,9 @@ int main() {
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* Naïve Sherman-Morrison
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** ~qmckl_sherman_morrison~
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** ~qmckl_sherman_morrison_naive~
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:PROPERTIES:
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:Name: qmckl_sherman_morrison
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:Name: qmckl_sherman_morrison_naive
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:CRetType: qmckl_exit_code
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:FRetType: qmckl_exit_code
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:END:
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@ -63,7 +63,7 @@ int main() {
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If the determinant of the Slater-matrix is passed, it will be updated to the determinant resulting
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from applying the updates to the original matrix.
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#+NAME: qmckl_sherman_morrison_args
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#+NAME: qmckl_sherman_morrison_naive_args
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| qmckl_context | context | in | Global state |
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| uint64_t | LDS | in | Leading dimension of Slater_inv |
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| uint64_t | Dim | in | Dimension of Slater_inv |
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@ -87,11 +87,11 @@ int main() {
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*** C header
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#+CALL: generate_c_header(table=qmckl_sherman_morrison_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
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#+CALL: generate_c_header(table=qmckl_sherman_morrison_naive_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
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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_sherman_morrison(
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qmckl_exit_code qmckl_sherman_morrison_naive(
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const qmckl_context context,
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const uint64_t LDS,
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const uint64_t Dim,
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@ -130,7 +130,7 @@ int main() {
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#define ALIGNED
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#endif
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qmckl_exit_code qmckl_sherman_morrison_hpc(
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qmckl_exit_code qmckl_sherman_morrison_naive_hpc(
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const qmckl_context context,
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const uint64_t LDS,
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const uint64_t Dim,
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@ -144,7 +144,7 @@ qmckl_exit_code qmckl_sherman_morrison_hpc(
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith( context,
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QMCKL_NULL_CONTEXT,
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"qmckl_sherman_morrison_hpc",
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"qmckl_sherman_morrison_naive_hpc",
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NULL);
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}
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@ -203,9 +203,9 @@ qmckl_exit_code qmckl_sherman_morrison_hpc(
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#+NAME:naive_template
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#+NAME:naive_template_code
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#+begin_src c
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static inline qmckl_exit_code qmckl_sherman_morrison_{Dim}(
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static inline qmckl_exit_code qmckl_sherman_morrison_naive_{Dim}(
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const qmckl_context context,
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const uint64_t N_updates,
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const double* __restrict Updates,
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@ -217,7 +217,7 @@ static inline qmckl_exit_code qmckl_sherman_morrison_{Dim}(
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith( context,
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QMCKL_NULL_CONTEXT,
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"qmckl_sherman_morrison_{Dim}",
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"qmckl_sherman_morrison_naive_{Dim}",
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NULL);
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}
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@ -280,10 +280,10 @@ static inline qmckl_exit_code qmckl_sherman_morrison_{Dim}(
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#+NAME:naive-python
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#+NAME:naive_template_generator
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#+begin_src python :noweb yes :exports none
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text="""
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<<naive_template>>
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<<naive_template_code>>
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"""
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result = []
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for Dim in range(2, 22):
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@ -297,11 +297,11 @@ return '\n'.join(result)
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#+NAME:naive-python-switch
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#+NAME:naive_switch_generator
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#+begin_src python :noweb yes :exports none
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text="""
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case {Dim}:
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return qmckl_sherman_morrison_{Dim}(context,
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return qmckl_sherman_morrison_naive_{Dim}(context,
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N_updates,
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Updates,
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Updates_index,
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@ -322,9 +322,9 @@ return '\n'.join(result)
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#+begin_src c :tangle (eval c) :comments org :noweb yes
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<<naive-python()>>
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<<naive_template_generator()>>
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qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
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qmckl_exit_code qmckl_sherman_morrison_naive(const qmckl_context context,
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const uint64_t LDS,
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const uint64_t Dim,
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const uint64_t N_updates,
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@ -337,17 +337,17 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(context,
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QMCKL_NULL_CONTEXT,
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"qmckl_sherman_morrison",
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"qmckl_sherman_morrison_naive",
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NULL);
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}
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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switch (Dim) {
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<<naive-python-switch()>>
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<<naive_switch_generator()>>
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}
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}
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else { // When SIMD_LENGTH > 1, called with LDS == Dim AND Dim != (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH)
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return qmckl_sherman_morrison_hpc(context,
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return qmckl_sherman_morrison_naive_hpc(context,
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LDS,
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Dim,
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N_updates,
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@ -359,7 +359,7 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
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}
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return QMCKL_SUCCESS;
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return QMCKL_FAILURE;
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}
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#+end_src
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@ -375,17 +375,17 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
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** Fortran interface :noexport:
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:PROPERTIES:
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:Name: qmckl_sherman_morrison
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:Name: qmckl_sherman_morrison_naive
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:CRetType: qmckl_exit_code
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:FRetType: qmckl_exit_code
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:END:
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#+CALL: generate_f_interface(table=qmckl_sherman_morrison_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
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#+CALL: generate_f_interface(table=qmckl_sherman_morrison_naive_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
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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_sherman_morrison &
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integer(c_int32_t) function qmckl_sherman_morrison_naive &
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(context, LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, determinant) &
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bind(C)
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@ -403,7 +403,7 @@ qmckl_exit_code qmckl_sherman_morrison(const qmckl_context context,
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real (c_double ) , intent(inout) :: Slater_inv(LDS*Dim)
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real (c_double ) , intent(inout) :: determinant
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end function qmckl_sherman_morrison
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end function qmckl_sherman_morrison_naive
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end interface
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#+end_src
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@ -426,7 +426,7 @@ assert(Slater_inv1 != NULL);
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// original determinant of Slater1 (before applying updates)
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double det = 3.407025646103221e-10;
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rc = qmckl_sherman_morrison(context,
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rc = qmckl_sherman_morrison_naive(context,
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LDS,
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Dim,
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N_updates1,
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@ -463,9 +463,9 @@ assert(rc == QMCKL_SUCCESS);
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* Woodbury 2x2
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** ~qmckl_woodbury_2~
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** ~qmckl_woodbury_2x2~
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:PROPERTIES:
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:Name: qmckl_woodbury_2
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:Name: qmckl_woodbury_2x2
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:CRetType: qmckl_exit_code
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:FRetType: qmckl_exit_code
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:END:
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@ -488,7 +488,7 @@ assert(rc == QMCKL_SUCCESS);
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#+NAME: qmckl_woodbury_2_args
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#+NAME: qmckl_woodbury_2x2_args
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| qmckl_context | context | in | Global state |
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| uint64_t | LDS | in | Leading dimension of Slater_inv |
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| uint64_t | Dim | in | Dimension of Slater_inv |
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@ -510,11 +510,11 @@ assert(rc == QMCKL_SUCCESS);
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*** C header
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#+CALL: generate_c_header(table=qmckl_woodbury_2_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
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#+CALL: generate_c_header(table=qmckl_woodbury_2x2_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
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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_woodbury_2(
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qmckl_exit_code qmckl_woodbury_2x2(
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const qmckl_context context,
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const uint64_t LDS,
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const uint64_t Dim,
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@ -528,14 +528,14 @@ assert(rc == QMCKL_SUCCESS);
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*** C source
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#+begin_src c :tangle (eval c) :comments org
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qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
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const uint64_t LDS,
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const uint64_t Dim,
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const double* Updates,
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const uint64_t* Updates_index,
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const double breakdown,
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double* Slater_inv,
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double* determinant) {
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qmckl_exit_code qmckl_woodbury_2x2_hpc(const qmckl_context context,
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const uint64_t LDS,
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const uint64_t Dim,
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const double* __restrict Updates,
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const uint64_t* __restrict Updates_index,
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const double breakdown,
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double* __restrict Slater_inv,
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double* __restrict determinant) {
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/*
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C := S^{-1} * U, dim x 2
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B := 1 + V * C, 2 x 2
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@ -545,7 +545,7 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(context,
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QMCKL_NULL_CONTEXT,
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"qmckl_woodbury_2",
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"qmckl_woodbury_2x2_hpc",
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NULL);
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}
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@ -613,6 +613,179 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
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}
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#+end_src
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#+NAME:woodbury_2x2_template_code
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#+begin_src c
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static inline qmckl_exit_code qmckl_woodbury_2x2_{Dim}(
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const qmckl_context context,
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const double* __restrict Updates,
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const uint64_t* __restrict Updates_index,
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const double breakdown,
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double* __restrict Slater_inv,
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double* __restrict determinant) {
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/*
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C := S^{-1} * U, dim x 2
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B := 1 + V * C, 2 x 2
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D := V * S^{-1}, 2 x dim
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*/
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(context,
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QMCKL_NULL_CONTEXT,
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"qmckl_woodbury_2x2_{Dim}",
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NULL);
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}
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const uint64_t row1 = (Updates_index[0] - 1);
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const uint64_t row2 = (Updates_index[1] - 1);
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// Compute C = (S^T)^{-1}U : {Dim} x 2
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double __attribute__((aligned(8))) C[2 * {Dim}];
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for (uint64_t i = 0; i < {Dim}; i++) {
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C[i * 2] = 0;
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C[i * 2 + 1] = 0;
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IVDEP
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ALIGNED
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for (uint64_t k = 0; k < D{Dim}_P; k++) {
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C[i * 2] += Slater_inv[i * D{Dim}_P + k] * Updates[k];
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C[i * 2 + 1] += Slater_inv[i * D{Dim}_P + k] * Updates[D{Dim}_P + k];
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}
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}
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// Compute B = 1 + VC : 2 x 2
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const double B0 = C[row1 * 2] + 1;
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const double B1 = C[row1 * 2 + 1];
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const double B2 = C[row2 * 2];
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const double B3 = C[row2 * 2 + 1] + 1;
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// Check if determinant of inverted matrix is not zero
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double det = B0 * B3 - B1 * B2;
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if (fabs(det) < breakdown) {
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return QMCKL_FAILURE;
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}
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// Update det(S) when passed
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if (determinant)
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*determinant *= det;
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// Compute B^{-1} with explicit formula for 2 x 2 inversion
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double __attribute__((aligned(8))) Binv[4], idet = 1.0 / det;
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Binv[0] = idet * B3;
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Binv[1] = -1.0 * idet * B1;
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Binv[2] = -1.0 * idet * B2;
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Binv[3] = idet * B0;
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// tmp = B^{-1}D : 2 x D{Dim}_P
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double __attribute__((aligned(8))) tmp[2 * D{Dim}_P];
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double* r1dim = &(Slater_inv[row1 * D{Dim}_P]);
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double* r2dim = &(Slater_inv[row2 * D{Dim}_P]);
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IVDEP
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ALIGNED
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for (uint64_t j = 0; j < D{Dim}_P; j++) {
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tmp[j] = Binv[0] * r1dim[j] + Binv[1] * r2dim[j];
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tmp[D{Dim}_P + j] = Binv[2] * r1dim[j] + Binv[3] * r2dim[j];
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}
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// Compute (S^T)^{-1} - C * tmp : {Dim} x D{Dim}_P
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for (uint64_t i = 0; i < {Dim}; i++) {
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IVDEP
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ALIGNED
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for (uint64_t j = 0; j < D{Dim}_P; j++) {
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Slater_inv[i * D{Dim}_P + j] -= C[i * 2] * tmp[j];
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Slater_inv[i * D{Dim}_P + j] -= C[i * 2 + 1] * tmp[D{Dim}_P + j];
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}
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}
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return QMCKL_SUCCESS;
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}
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#+end_src
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#+NAME:woodbury_2x2_template_generator
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#+begin_src python :noweb yes :exports none
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text="""
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<<woodbury_2x2_template_code>>
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"""
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result = []
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for Dim in range(2, 22):
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Dim=str(Dim)
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result.append(text.replace("{Dim}",Dim) )
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return '\n'.join(result)
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#+end_src
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#+NAME:woodbury_2x2_switch_generator
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#+begin_src python :noweb yes :exports none
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text="""
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case {Dim}:
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return qmckl_woodbury_2x2_{Dim}(context,
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Updates,
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Updates_index,
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breakdown,
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Slater_inv,
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determinant);
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"""
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result = []
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for Dim in range(2, 22):
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Dim=str(Dim)
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result.append(text.replace("{Dim}",Dim) )
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return '\n'.join(result)
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#+end_src
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#+begin_src c :tangle (eval c) :comments org :noweb yes
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<<woodbury_2x2_template_generator()>>
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qmckl_exit_code qmckl_woodbury_2x2(const qmckl_context context,
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const uint64_t LDS,
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const uint64_t Dim,
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const double* Updates,
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const uint64_t* Updates_index,
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const double breakdown,
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double* Slater_inv,
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double* determinant) {
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(context,
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QMCKL_NULL_CONTEXT,
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"qmckl_woodbury_2x2",
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NULL);
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}
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if (LDS == (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH) { // Most cases
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switch (Dim) {
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<<woodbury_2x2_switch_generator()>>
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}
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}
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else { // When SIMD_LENGTH > 1, called with LDS == Dim AND Dim != (1+(Dim-1)/SIMD_LENGTH)*SIMD_LENGTH)
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return qmckl_woodbury_2x2_hpc(context,
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LDS,
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Dim,
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Updates,
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Updates_index,
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breakdown,
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Slater_inv,
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determinant);
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}
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|
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return QMCKL_FAILURE;
|
||||
}
|
||||
#+end_src
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
*** Performance
|
||||
|
||||
This function is most efficient when used in cases where there are only 2 rank-1 updates and
|
||||
|
|
@ -620,17 +793,17 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
|
|||
|
||||
** Fortran interface :noexport:
|
||||
:PROPERTIES:
|
||||
:Name: qmckl_woodbury_2
|
||||
:Name: qmckl_woodbury_2x2
|
||||
:CRetType: qmckl_exit_code
|
||||
:FRetType: qmckl_exit_code
|
||||
:END:
|
||||
|
||||
#+CALL: generate_f_interface(table=qmckl_woodbury_2_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
|
||||
#+CALL: generate_f_interface(table=qmckl_woodbury_2x2_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_woodbury_2 &
|
||||
integer(c_int32_t) function qmckl_woodbury_2x2 &
|
||||
(context, LDS, Dim, Updates, Updates_index, breakdown, Slater_inv, determinant) &
|
||||
bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
|
|
@ -646,7 +819,7 @@ qmckl_exit_code qmckl_woodbury_2(const qmckl_context context,
|
|||
real (c_double ) , intent(inout) :: Slater_inv(LDS*Dim)
|
||||
real (c_double ) , intent(inout) :: determinant
|
||||
|
||||
end function qmckl_woodbury_2
|
||||
end function qmckl_woodbury_2x2
|
||||
end interface
|
||||
#+end_src
|
||||
|
||||
|
|
@ -657,7 +830,7 @@ assert(Updates2 != NULL);
|
|||
assert(Updates_index2 != NULL);
|
||||
assert(Slater_inv2 != NULL);
|
||||
det = -1.4432116661319376e-11;
|
||||
rc = qmckl_woodbury_2(context, LDS, Dim, Updates2, Updates_index2, breakdown, Slater_inv2, &det);
|
||||
rc = qmckl_woodbury_2x2(context, LDS, Dim, Updates2, Updates_index2, breakdown, Slater_inv2, &det);
|
||||
assert(fabs(det-2.367058141251457e-10) < 1e-15);
|
||||
for (unsigned int i = 0; i < Dim; i++) {
|
||||
for (unsigned int j = 0; j < Dim; j++) {
|
||||
|
|
@ -683,9 +856,9 @@ assert(rc == QMCKL_SUCCESS);
|
|||
|
||||
* Woodbury 3x3
|
||||
|
||||
** ~qmckl_woodbury_3~
|
||||
** ~qmckl_woodbury_3x3~
|
||||
:PROPERTIES:
|
||||
:Name: qmckl_woodbury_3
|
||||
:Name: qmckl_woodbury_3x3
|
||||
:CRetType: qmckl_exit_code
|
||||
:FRetType: qmckl_exit_code
|
||||
:END:
|
||||
|
|
@ -703,7 +876,7 @@ assert(rc == QMCKL_SUCCESS);
|
|||
#pragma ivdep
|
||||
#pragma vector aligned
|
||||
|
||||
#+NAME: qmckl_woodbury_3_args
|
||||
#+NAME: qmckl_woodbury_3x3_args
|
||||
| qmckl_context | context | in | Global state |
|
||||
| uint64_t | LDS | in | Leading dimension of Slater_inv |
|
||||
| uint64_t | Dim | in | Dimension of Slater_inv |
|
||||
|
|
@ -725,11 +898,11 @@ assert(rc == QMCKL_SUCCESS);
|
|||
|
||||
*** C header
|
||||
|
||||
#+CALL: generate_c_header(table=qmckl_woodbury_3_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
|
||||
#+CALL: generate_c_header(table=qmckl_woodbury_3x3_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src c :tangle (eval h_func) :comments org
|
||||
qmckl_exit_code qmckl_woodbury_3(
|
||||
qmckl_exit_code qmckl_woodbury_3x3(
|
||||
const qmckl_context context,
|
||||
const uint64_t LDS,
|
||||
const uint64_t Dim,
|
||||
|
|
@ -743,7 +916,7 @@ assert(rc == QMCKL_SUCCESS);
|
|||
*** C source
|
||||
|
||||
#+begin_src c :tangle (eval c) :comments org
|
||||
qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
|
||||
qmckl_exit_code qmckl_woodbury_3x3(const qmckl_context context,
|
||||
const uint64_t LDS,
|
||||
const uint64_t Dim,
|
||||
const double* Updates,
|
||||
|
|
@ -760,7 +933,7 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
|
|||
if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
|
||||
return qmckl_failwith(context,
|
||||
QMCKL_NULL_CONTEXT,
|
||||
"qmckl_woodbury_3",
|
||||
"qmckl_woodbury_3x3",
|
||||
NULL);
|
||||
}
|
||||
|
||||
|
|
@ -855,17 +1028,17 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
|
|||
|
||||
** Fortran interface :noexport:
|
||||
:PROPERTIES:
|
||||
:Name: qmckl_woodbury_3
|
||||
:Name: qmckl_woodbury_3x3
|
||||
:CRetType: qmckl_exit_code
|
||||
:FRetType: qmckl_exit_code
|
||||
:END:
|
||||
|
||||
#+CALL: generate_f_interface(table=qmckl_woodbury_3_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
|
||||
#+CALL: generate_f_interface(table=qmckl_woodbury_3x3_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_woodbury_3 &
|
||||
integer(c_int32_t) function qmckl_woodbury_3x3 &
|
||||
(context, LDS, Dim, Updates, Updates_index, breakdown, Slater_inv, determinant) &
|
||||
bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
|
|
@ -881,7 +1054,7 @@ qmckl_exit_code qmckl_woodbury_3(const qmckl_context context,
|
|||
real (c_double ) , intent(inout) :: Slater_inv(LDS*Dim)
|
||||
real (c_double ) , intent(inout) :: determinant
|
||||
|
||||
end function qmckl_woodbury_3
|
||||
end function qmckl_woodbury_3x3
|
||||
end interface
|
||||
#+end_src
|
||||
|
||||
|
|
@ -892,7 +1065,7 @@ assert(Updates3 != NULL);
|
|||
assert(Updates_index3 != NULL);
|
||||
assert(Slater_inv3_1 != NULL);
|
||||
det = -1.23743195512859e-09;
|
||||
rc = qmckl_woodbury_3(context, LDS, Dim, Updates3, Updates_index3, breakdown, Slater_inv3_1, &det);
|
||||
rc = qmckl_woodbury_3x3(context, LDS, Dim, Updates3, Updates_index3, breakdown, Slater_inv3_1, &det);
|
||||
assert(fabs(det - 1.602708950725074e-10) < 1e-15);
|
||||
for (unsigned int i = 0; i < Dim; i++) {
|
||||
for (unsigned int j = 0; j < Dim; j++) {
|
||||
|
|
@ -1177,7 +1350,7 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
|
|||
// Special case for 4 rank-1 updates: 2+2
|
||||
if (N_updates == 4) {
|
||||
qmckl_exit_code rc =
|
||||
qmckl_woodbury_2(context, LDS, Dim, Updates, Updates_index,
|
||||
qmckl_woodbury_2x2(context, LDS, Dim, Updates, Updates_index,
|
||||
breakdown, Slater_inv, determinant);
|
||||
if (rc != QMCKL_SUCCESS) { // Send the entire block to slagel_splitting
|
||||
uint64_t l = 0;
|
||||
|
|
@ -1187,7 +1360,7 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
|
|||
later_index + later, &l, determinant);
|
||||
later += l;
|
||||
}
|
||||
rc = qmckl_woodbury_2(context, LDS, Dim, &Updates[2 * LDS],
|
||||
rc = qmckl_woodbury_2x2(context, LDS, Dim, &Updates[2 * LDS],
|
||||
&Updates_index[2], breakdown, Slater_inv,
|
||||
determinant);
|
||||
if (rc != QMCKL_SUCCESS) { // Send the entire block to slagel_splitting
|
||||
|
|
@ -1217,7 +1390,7 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
|
|||
for (uint64_t i = 0; i < n_of_3blocks; i++) {
|
||||
const double* Updates_3block = &Updates[i * length_3block];
|
||||
const uint64_t* Updates_index_3block = &Updates_index[i * 3];
|
||||
qmckl_exit_code rc = qmckl_woodbury_3(
|
||||
qmckl_exit_code rc = qmckl_woodbury_3x3(
|
||||
context, LDS, Dim, Updates_3block, Updates_index_3block,
|
||||
breakdown, Slater_inv, determinant);
|
||||
if (rc != QMCKL_SUCCESS) { // Send the entire block to slagel_splitting
|
||||
|
|
@ -1235,7 +1408,7 @@ qmckl_exit_code qmckl_sherman_morrison_smw32s(const qmckl_context context,
|
|||
if (remainder == 2) {
|
||||
const double* Updates_2block = &Updates[n_of_3blocks * length_3block];
|
||||
const uint64_t* Updates_index_2block = &Updates_index[3 * n_of_3blocks];
|
||||
qmckl_exit_code rc = qmckl_woodbury_2(
|
||||
qmckl_exit_code rc = qmckl_woodbury_2x2(
|
||||
context, LDS, Dim, Updates_2block, Updates_index_2block,
|
||||
breakdown, Slater_inv, determinant);
|
||||
if (rc != QMCKL_SUCCESS) { // Send the entire block to slagel_splitting
|
||||
|
|
|
|||
Loading…
Reference in New Issue
Block a user