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qmckl_sm_splitting_doc kernel works.
This commit is contained in:
Francois Coppens
parent
8e2674a3b2
commit
656d268187
@ -153,7 +153,7 @@ end subroutine copy_back_inv
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subroutine copy_back_lu(Later_updates, later_upds, lds, nupdates)
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implicit none
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integer*8 , intent(in) :: lds, nupdates
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real*8 , intent(in) , dimension(nupdates, lds) :: Later_updates
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real*8 , intent(in) , dimension(lds, nupdates) :: Later_updates
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real*8 , intent(out) :: later_upds(nupdates * lds)
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integer*8 :: i, j
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@ -161,7 +161,7 @@ subroutine copy_back_lu(Later_updates, later_upds, lds, nupdates)
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! Copy updated inverse back to s_inv
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do i = 1, nupdates
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do j = 1, lds
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later_upds((i - 1) * lds + j) = Later_updates(i, j)
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later_upds((i - 1) * lds + j) = Later_updates(j, i)
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end do
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end do
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end subroutine copy_back_lu
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@ -303,7 +303,7 @@ qmckl_exit_code qmckl_sm_naive (
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double* determinant );
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#+end_src
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#+CALL: generate_c_header(table=qmckl_sm_naive_args,rettyp=get_value("CRetType"),fname="qmckl_sm_naive_hpc")
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#+CALL: generate_private_c_header(table=qmckl_sm_naive_args,rettyp=get_value("CRetType"),fname="qmckl_sm_naive_hpc")
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#+RESULTS:
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#+begin_src c :tangle (eval h_private_func) :comments org
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@ -343,6 +343,7 @@ Common includes and macros used by all the Sherman-Morrison-Woodbury kernels.
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#include "qmckl.h"
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#include "config.h"
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#include "assert.h"
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#include "stdio.h"
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// Order important because
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// __GNUC__ also set in ICC, ICX and CLANG
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@ -835,22 +836,24 @@ integer function qmckl_sm_splitting_core_doc_f( &
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integer*8 , intent(in) :: lds, dim
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integer*8 , intent(in) :: nupdates
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integer*8 , intent(in) :: updates_index(nupdates)
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real*8 , intent(in) :: upds(nupdates * lds)
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real*8 , intent(in) :: upds(lds * nupdates)
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real*8 , intent(in) :: breakdown
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real*8 , intent(inout) :: s_inv(dim * lds)
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real*8 , intent(inout) :: determinant
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integer*8 , intent(inout) :: Later
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integer*8 , intent(inout) :: Later_index(nupdates)
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real*8 , intent(inout) :: later_upds(nupdates * lds)
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real*8 , intent(inout) :: later_upds(lds * nupdates)
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real*8 , dimension(nupdates, lds) :: Updates
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real*8 , dimension(nupdates, lds) :: Later_updates
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real*8 , dimension(lds, nupdates) :: Updates
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real*8 , dimension(lds, nupdates) :: Later_updates
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real*8 , dimension(dim, lds) :: Inverse
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real*8 , dimension(dim) :: C
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real*8 , dimension(lds) :: D
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real*8 :: denominator, idenominator, update
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integer*8 :: i, j, l, row
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write(*,*) "Entering 'qmckl_sm_splittinig_core_doc_f'"
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info = QMCKL_FAILURE
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if (context == QMCKL_NULL_CONTEXT) then
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@ -888,7 +891,7 @@ integer function qmckl_sm_splitting_core_doc_f( &
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Later_updates(i, l) = Updates(i, l) / 2
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C(i) = C(i) / 2
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end do
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Later_index(Later) = updates_index(l)
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Later_index(Later + 1) = updates_index(l)
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Later = Later + 1
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denominator = 1 + C(row)
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end if
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@ -919,6 +922,8 @@ integer function qmckl_sm_splitting_core_doc_f( &
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info = QMCKL_SUCCESS
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write(*,*) "Leaving 'qmckl_sm_splittinig_core_doc_f'"
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end function qmckl_sm_splitting_core_doc_f
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#+end_src
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@ -931,6 +936,62 @@ for C users and in the module file 'qmckl_f.F90' for Fortran users.
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#+CALL: generate_c_interface(table=qmckl_sm_splitting_core_args,rettyp=get_value("CRetType"),fname="qmckl_sm_splitting_core_doc")
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#+RESULTS:
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#+begin_src f90 :tangle (eval f) :comments org :exports none
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integer(c_int32_t) function qmckl_sm_splitting_core_doc &
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(context, &
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LDS, &
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Dim, &
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N_updates, &
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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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later_updates, &
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later_index, &
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later, &
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determinant) &
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bind(C) result(info)
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use, intrinsic :: iso_c_binding
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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integer (c_int64_t) , intent(in) , value :: LDS
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integer (c_int64_t) , intent(in) , value :: Dim
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integer (c_int64_t) , intent(in) , value :: N_updates
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real (c_double ) , intent(in) :: Updates(N_updates*LDS)
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integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
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real (c_double ) , intent(in) , value :: breakdown
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real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
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real (c_double ) , intent(inout) :: later_updates(N_updates*LDS)
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integer (c_int64_t) , intent(inout) :: later_index(N_updates)
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integer (c_int64_t) , intent(inout) :: later
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real (c_double ) , intent(inout) :: determinant
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integer(c_int32_t), external :: qmckl_sm_splitting_core_doc_f
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write(*,*) "Entering 'qmckl_sm_splittinig_core_doc'"
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info = qmckl_sm_splitting_core_doc_f &
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(context, &
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LDS, &
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Dim, &
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N_updates, &
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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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later_updates, &
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later_index, &
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later, &
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determinant)
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write(*,*) "Leaving 'qmckl_sm_splittinig_core_doc'"
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end function qmckl_sm_splitting_core_doc
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#+end_src
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*** C headers (exposed in qmckl.h)
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#+CALL: generate_c_header(table=qmckl_sm_splitting_core_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
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@ -1221,7 +1282,7 @@ qmckl_exit_code qmckl_sm_splitting_core(
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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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<<slagel_splitting_switch-case_generator()>>
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case default: {
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default: {
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assert(0 == 1 && "TEMPLATE NOT IMPLEMENTED!");
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break;
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}
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@ -1243,20 +1304,7 @@ qmckl_exit_code qmckl_sm_splitting_core(
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determinant);
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}
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#else
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// return qmckl_sm_splitting_core_doc(
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// context,
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// LDS,
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// Dim,
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// N_updates,
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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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// later_updates,
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// later_index,
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// later,
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// determinant);
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return qmckl_sm_splitting_core_hpc(
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return qmckl_sm_splitting_core_doc(
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context,
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LDS,
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Dim,
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@ -1446,7 +1494,7 @@ integer recursive function qmckl_sm_splitting_doc_f( &
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integer*8 , intent(in) :: lds, dim
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integer*8 , intent(in) :: nupdates
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integer*8 , intent(in) :: updates_index(nupdates)
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real*8 , intent(in) :: upds(nupdates * lds)
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real*8 , intent(in) :: upds(lds * nupdates)
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real*8 , intent(in) :: breakdown
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real*8 , intent(inout) :: s_inv(dim * lds)
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real*8 , intent(inout) :: determinant
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@ -1455,7 +1503,9 @@ integer recursive function qmckl_sm_splitting_doc_f( &
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integer*8 :: Later
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integer*8 , dimension(nupdates) :: Later_index
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real*8 , dimension(nupdates * lds) :: Later_updates
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real*8 , dimension(lds * nupdates) :: Later_updates
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write(*,*) "Entering 'qmckl_sm_splitting_doc_f'"
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info = QMCKL_FAILURE
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@ -1495,6 +1545,8 @@ integer recursive function qmckl_sm_splitting_doc_f( &
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info = QMCKL_SUCCESS
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write(*,*) "Leaving 'qmckl_sm_splitting_doc_f'"
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end function qmckl_sm_splitting_doc_f
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#+end_src
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@ -1520,16 +1572,21 @@ integer(c_int32_t) function qmckl_sm_splitting_doc &
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integer (c_int64_t) , intent(in) , value :: LDS
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integer (c_int64_t) , intent(in) , value :: Dim
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integer (c_int64_t) , intent(in) , value :: N_updates
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real (c_double ) , intent(in) :: Updates(N_updates*LDS)
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real (c_double ) , intent(in) :: Updates(LDS*N_updates)
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integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
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real (c_double ) , intent(in) , value :: breakdown
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real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
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real (c_double ) , intent(inout) :: determinant
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integer(c_int32_t), external :: qmckl_sm_splitting_doc_f
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write(*,*) "Entering 'qmckl_sm_splitting_doc'"
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info = qmckl_sm_splitting_doc_f &
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(context, LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, determinant)
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write(*,*) "Leaving 'qmckl_sm_splitting_doc'"
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end function qmckl_sm_splitting_doc
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#+end_src
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@ -1672,6 +1729,8 @@ qmckl_exit_code qmckl_sm_splitting(
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const double breakdown,
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double* Slater_inv,
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double* determinant) {
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printf("Entering 'qmckl_sm_splitting'\n");
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if (qmckl_context_check(context) == QMCKL_NULL_CONTEXT) {
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return qmckl_failwith(
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@ -1680,7 +1739,7 @@ qmckl_exit_code qmckl_sm_splitting(
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"qmckl_sm_splitting",
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NULL);
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}
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#ifdef HAS_HPC
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#ifdef HAVE_HPC
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return qmckl_sm_splitting_hpc(
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context,
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LDS,
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@ -1702,18 +1761,10 @@ qmckl_exit_code qmckl_sm_splitting(
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breakdown,
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Slater_inv,
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determinant);
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// return qmckl_sm_splitting_hpc(
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// context,
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// LDS,
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// Dim,
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// N_updates,
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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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#endif
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printf("Leaving 'qmckl_sm_splitting'\n");
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return QMCKL_SUCCESS;
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}
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#+end_src
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