Version 5.2.0, Revision 22964, Hash 7f56361

MODIFIED * configure include/version/version.m4 modules/mod_X.F pol_function/X_redux.F Bugs: - [yambo] Fix for issue #76 Patch sent by: Davide Sangalli <[email protected]>
yambo-code · Apr 19, 2024 · 45b73c8 · 45b73c8
1 parent cf23216
commit 45b73c8
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Showing 5 changed files with 21 additions and 13 deletions.
diff --git a/config/version/version.m4 b/config/version/version.m4
@@ -1,7 +1,7 @@
 AC_INIT(Yambo, 5.1.2 r.21870 h.d1ffde8db, [email protected])
 SVERSION="5"
 SSUBVERSION="1"
-SPATCHLEVEL="3"
+SPATCHLEVEL="4"
 SREVISION="21870"
 SHASH="d1ffde8db"
 AC_SUBST(SVERSION)

diff --git a/configure b/configure
@@ -3227,7 +3227,7 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu
 
 SVERSION="5"
 SSUBVERSION="1"
-SPATCHLEVEL="2"
+SPATCHLEVEL="4"
 SREVISION="21870"
 SHASH="d1ffde8db"
 

diff --git a/include/driver/version.h b/include/driver/version.h
@@ -24,7 +24,7 @@
 
 #define YAMBO_VERSION 5
 #define YAMBO_SUBVERSION 1
-#define YAMBO_PATCHLEVEL 3
-#define YAMBO_REVISION 21872
-#define YAMBO_HASH "612ae3ca5" 
+#define YAMBO_PATCHLEVEL 4
+#define YAMBO_REVISION 21873
+#define YAMBO_HASH "cf23216bac" 
 
diff --git a/src/modules/mod_X.F b/src/modules/mod_X.F
@@ -172,6 +172,14 @@ logical function OPTICS_eels(wv,nw,be_verbose,ordering,eps,eel)
      complex(SP) ,optional:: eps(nw),eel(nw)
    end function
    !
+   subroutine X_redux_build_kernel(KERNEL,Xo,Xo_rows,Xo_cols,compute_on_gpu,iq)
+     use matrix,        ONLY:PAR_matrix
+     implicit none
+     type(PAR_matrix), target :: KERNEL,Xo
+     integer, intent(in)      :: Xo_rows(2),Xo_cols(2),iq
+     logical, intent(in)      :: compute_on_gpu
+   end subroutine
+   !
  end interface
  !
  contains

diff --git a/src/pol_function/X_redux.F b/src/pol_function/X_redux.F
@@ -48,7 +48,7 @@ subroutine X_redux(iq,what,X_par,Xw,X)
  use wrapper,       ONLY:M_by_M
  use interfaces,    ONLY:LINEAR_ALGEBRA_driver,MATRIX_transfer
  use stderr,        ONLY:intc
- use X_m,           ONLY:X_t,X_use_lin_sys,X_use_gpu,X_par_lower_triangle
+ use X_m,           ONLY:X_t,X_use_lin_sys,X_use_gpu,X_par_lower_triangle,X_redux_build_kernel
  use TDDFT,         ONLY:FXC_n_g_corr,F_xc_gspace,FXC_LRC_alpha,FXC_LRC_beta,FXC_SVD_digits
  use timing_m,      ONLY:timing
  use cuda_m
@@ -226,7 +226,7 @@ subroutine X_redux(iq,what,X_par,Xw,X)
    !
    ! no Fxc [delta_(g1,g2)-Xo(g1,g2)*v(g2)]
    !
-   call X_redux_build_kernel(KERNEL,Xo,Xo_rows,Xo_cols)
+   call X_redux_build_kernel(KERNEL,Xo,Xo_rows,Xo_cols,compute_on_gpu,iq)
    !
    ! X(g,gp)=Sum_gpp[KERNEL]^-1_(g,gpp)*Xo(gpp,gp)
    !
@@ -354,14 +354,16 @@ subroutine X_redux(iq,what,X_par,Xw,X)
  YAMBO_FREE(PAR_FREQS_index)
  call PP_indexes_reset(PAR_IND_freqs)
  !
-contains
+end subroutine
    !
-   subroutine X_redux_build_kernel(KERNEL,Xo,Xo_rows,Xo_cols)
+   subroutine X_redux_build_kernel(KERNEL,Xo,Xo_rows,Xo_cols,compute_on_gpu,iq)
      use R_lattice,     ONLY:bare_qpg, bare_qpg_d
-     use pars,          ONLY:pi,cONE
+     use pars,          ONLY:pi,cONE,SP
+     use matrix,        ONLY:PAR_matrix
      implicit none
      type(PAR_matrix), target :: KERNEL,Xo
-     integer, intent(in)      :: Xo_rows(2),Xo_cols(2)
+     integer, intent(in)      :: Xo_rows(2),Xo_cols(2),iq
+     logical, intent(in)      :: compute_on_gpu
      integer :: ig1,ig2
      !
      complex(SP), pointer DEV_ATTR :: KERNEL_blc_d(:,:,:)
@@ -394,5 +396,3 @@ subroutine X_redux_build_kernel(KERNEL,Xo,Xo_rows,Xo_cols)
      endif
      !
    end subroutine X_redux_build_kernel
-   !
-end subroutine