Unify template for real, complex simple kernel

Makefile.am

@@ -52,8 +52,7 @@ EXTRA_libelpa@SUFFIX@_private_la_DEPENDENCIES = \
         src/elpa2_compute_complex_template.X90 \
 	src/elpa2_kernels/elpa2_kernels_real_template.X90 \
 	src/elpa2_kernels/elpa2_kernels_complex_template.X90 \
-	src/elpa2_kernels/elpa2_kernels_real_simple_template.X90 \
-        src/elpa2_kernels/elpa2_kernels_complex_simple_template.X90 \
+	src/elpa2_kernels/elpa2_kernels_simple_template.X90 \
         src/redist_band.X90
 
 lib_LTLIBRARIES = libelpa@SUFFIX@.la
@@ -775,8 +774,7 @@ EXTRA_DIST = \
   src/elpa2_compute_complex_template.X90 \
   src/elpa2_kernels/elpa2_kernels_real_template.X90 \
   src/elpa2_kernels/elpa2_kernels_complex_template.X90 \
-  src/elpa2_kernels/elpa2_kernels_real_simple_template.X90 \
-  src/elpa2_kernels/elpa2_kernels_complex_simple_template.X90 \
+  src/elpa2_kernels/elpa2_kernels_simple_template.X90 \
   src/redist_band.X90 \
   src/elpa_qr/elpa_qrkernels.X90 \
   src/ev_tridi_band_gpu_c_v2_complex_template.Xcu \

src/elpa2_kernels/elpa2_kernels_complex.F90

@@ -10,7 +10,7 @@
 !    - Technische Universität München, Lehrstuhl für Informatik mit
 !      Schwerpunkt Wissenschaftliches Rechnen ,
 !    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
-!    - Max-Plack-Institut für Mathematik in den Naturwissenschaftrn,
+!    - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
 !      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
 !      and
 !    - IBM Deutschland GmbH

src/elpa2_kernels/elpa2_kernels_complex_simple.F90

@@ -10,7 +10,7 @@
 !    - Technische Universität München, Lehrstuhl für Informatik mit
 !      Schwerpunkt Wissenschaftliches Rechnen ,
 !    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
-!    - Max-Plack-Institut für Mathematik in den Naturwissenschaftrn,
+!    - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
 !      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
 !      and
 !    - IBM Deutschland GmbH
@@ -68,18 +68,22 @@ module complex_generic_simple_kernel
 
   contains
 
+#define COMPLEXCASE 1
 #define DOUBLE_PRECISION_COMPLEX 1
-#define COMPLEX_DATATYPE ck8
-#include "elpa2_kernels_complex_simple_template.X90"
+#define DATATYPE ck8
+#include "elpa2_kernels_simple_template.X90"
 #undef DOUBLE_PRECISION_COMPLEX
-#undef COMPLEX_DATATYPE
+#undef DATATYPE
+#undef COMPLEXCASE
 
 #ifdef WANT_SINGLE_PRECISION_COMPLEX
+#define COMPLEXCASE 1
 #undef DOUBLE_PRECISION_COMPLEX
-#define COMPLEX_DATATYPE ck4
-#include "elpa2_kernels_complex_simple_template.X90"
+#define DATATYPE ck4
+#include "elpa2_kernels_simple_template.X90"
 #undef DOUBLE_PRECISION_COMPLEX
-#undef COMPLEX_DATATYPE
+#undef DATATYPE
+#undef COMPLEXCASE
 #endif
 
 

src/elpa2_kernels/elpa2_kernels_real.F90

@@ -10,7 +10,7 @@
 !    - Technische Universität München, Lehrstuhl für Informatik mit
 !      Schwerpunkt Wissenschaftliches Rechnen ,
 !    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
-!    - Max-Plack-Institut für Mathematik in den Naturwissenschaftrn,
+!    - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
 !      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
 !      and
 !    - IBM Deutschland GmbH

src/elpa2_kernels/elpa2_kernels_real_simple.F90

@@ -10,7 +10,7 @@
 !    - Technische Universität München, Lehrstuhl für Informatik mit
 !      Schwerpunkt Wissenschaftliches Rechnen ,
 !    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
-!    - Max-Plack-Institut für Mathematik in den Naturwissenschaftrn,
+!    - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
 !      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
 !      and
 !    - IBM Deutschland GmbH
@@ -69,19 +69,22 @@ module real_generic_simple_kernel
 
   contains
 
+#define REALCASE 1
 #define DOUBLE_PRECISION_REAL 1
-#define REAL_DATATYPE rk8
-#include "elpa2_kernels_real_simple_template.X90"
+#define DATATYPE rk8
+#include "elpa2_kernels_simple_template.X90"
 #undef DOUBLE_PRECISION_REAL
-#undef REAL_DATATYPE
-
+#undef DATATYPE
+#undef REALCASE
 
 #ifdef WANT_SINGLE_PRECISION_REAL
+#define REALCASE 1
 #undef DOUBLE_PRECISION_REAL
-#define REAL_DATATYPE rk4
-#include "elpa2_kernels_real_simple_template.X90"
+#define DATATYPE rk4
+#include "elpa2_kernels_simple_template.X90"
 #undef DOUBLE_PRECISION_REAL
-#undef REAL_DATATYPE
+#undef DATATYPE
+#undef REALCASE
 #endif
 
 end module real_generic_simple_kernel

src/elpa2_kernels/elpa2_kernels_real_simple_template.X90

-#if 0
-!    This file is part of ELPA.
-!
-!    The ELPA library was originally created by the ELPA consortium,
-!    consisting of the following organizations:
-!
-!    - Max Planck Computing and Data Facility (MPCDF), formerly known as
-!      Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
-!    - Bergische Universität Wuppertal, Lehrstuhl für angewandte
-!      Informatik,
-!    - Technische Universität München, Lehrstuhl für Informatik mit
-!      Schwerpunkt Wissenschaftliches Rechnen ,
-!    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
-!    - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
-!      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
-!      and
-!    - IBM Deutschland GmbH
-!
-!
-!    More information can be found here:
-!    http://elpa.mpcdf.mpg.de/
-!
-!    ELPA is free software: you can redistribute it and/or modify
-!    it under the terms of the version 3 of the license of the
-!    GNU Lesser General Public License as published by the Free
-!    Software Foundation.
-!
-!    ELPA is distributed in the hope that it will be useful,
-!    but WITHOUT ANY WARRANTY; without even the implied warranty of
-!    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-!    GNU Lesser General Public License for more details.
-!
-!    You should have received a copy of the GNU Lesser General Public License
-!    along with ELPA.  If not, see <http://www.gnu.org/licenses/>
-!
-!    ELPA reflects a substantial effort on the part of the original
-!    ELPA consortium, and we ask you to respect the spirit of the
-!    license that we chose: i.e., please contribute any changes you
-!    may have back to the original ELPA library distribution, and keep
-!    any derivatives of ELPA under the same license that we chose for
-!    the original distribution, the GNU Lesser General Public License.
-!
-!
-! --------------------------------------------------------------------------------------------------
-!
-! This file contains the compute intensive kernels for the Householder transformations.
-!
-! This is the small and simple version (no hand unrolling of loops etc.) but for some
-! compilers this performs better than a sophisticated version with transformed and unrolled loops.
-!
-! It should be compiled with the highest possible optimization level.
-!
-! Copyright of the original code rests with the authors inside the ELPA
-! consortium. The copyright of any additional modifications shall rest
-! with their original authors, but shall adhere to the licensing terms
-! distributed along with the original code in the file "COPYING".
-!
-! --------------------------------------------------------------------------------------------------
-
-#endif
-
-#ifdef DOUBLE_PRECISION_REAL
-  subroutine double_hh_trafo_generic_simple_double(q, hh, nb, nq, ldq, ldh)
-#else
-  subroutine double_hh_trafo_generic_simple_single(q, hh, nb, nq, ldq, ldh)
-#endif
-    use precision
-#ifdef HAVE_DETAILED_TIMINGS
-    use timings
-#endif
-    implicit none
-
-    integer(kind=ik), intent(in) :: nb, nq, ldq, ldh
-#ifdef DESPERATELY_WANT_ASSUMED_SIZE
-    real(kind=REAL_DATATYPE), intent(inout) :: q(ldq,*)
-    real(kind=REAL_DATATYPE), intent(in)    :: hh(ldh,*)
-#else
-    real(kind=REAL_DATATYPE), intent(inout) :: q(ldq,1:nb+1)
-    real(kind=REAL_DATATYPE), intent(in)    :: hh(ldh,2)
-#endif
-
-    real(kind=REAL_DATATYPE)                :: s, h1, h2, tau1, tau2, x(nq), y(nq)
-    integer(kind=ik)             :: i
-
-#ifdef DOUBLE_PRECISION_REAL
-
-#ifdef HAVE_DETAILED_TIMINGS
-    call timer%start("kernel generic simple: double_hh_trafo_generic_simple_double")
-#endif
-
-#else
-
-#ifdef HAVE_DETAILED_TIMINGS
-    call timer%start("kernel generic simple: double_hh_trafo_generic_simple_single")
-#endif
-
-#endif
-
-    ! Calculate dot product of the two Householder vectors
-
-    s = hh(2,2)*1
-    do i=3,nb
-       s = s+hh(i,2)*hh(i-1,1)
-    enddo
-
-    ! Do the Householder transformations
-
-    x(1:nq) = q(1:nq,2)
-
-    y(1:nq) = q(1:nq,1) + q(1:nq,2)*hh(2,2)
-
-    do i=3,nb
-       h1 = hh(i-1,1)
-       h2 = hh(i,2)
-       x(1:nq) = x(1:nq) + q(1:nq,i)*h1
-       y(1:nq) = y(1:nq) + q(1:nq,i)*h2
-    enddo
-
-    x(1:nq) = x(1:nq) + q(1:nq,nb+1)*hh(nb,1)
-
-    tau1 = hh(1,1)
-    tau2 = hh(1,2)
-
-    h1 = -tau1
-    x(1:nq) = x(1:nq)*h1
-    h1 = -tau2
-    h2 = -tau2*s
-    y(1:nq) = y(1:nq)*h1 + x(1:nq)*h2
-
-    q(1:nq,1) = q(1:nq,1) + y(1:nq)
-    q(1:nq,2) = q(1:nq,2) + x(1:nq) + y(1:nq)*hh(2,2)
-
-    do i=3,nb
-       h1 = hh(i-1,1)
-       h2 = hh(i,2)
-       q(1:nq,i) = q(1:nq,i) + x(1:nq)*h1 + y(1:nq)*h2
-    enddo
-
-    q(1:nq,nb+1) = q(1:nq,nb+1) + x(1:nq)*hh(nb,1)
-
-#ifdef DOUBLE_PRECISION_REAL
-
-#ifdef HAVE_DETAILED_TIMINGS
-    call timer%stop("kernel generic simple: double_hh_trafo_generic_simple_double")
-#endif
-
-#else
-
-#ifdef HAVE_DETAILED_TIMINGS
-    call timer%stop("kernel generic simple: double_hh_trafo_generic_simple_single")
-#endif
-
-#endif
-
-#ifdef DOUBLE_PRECISION_REAL
-  end subroutine double_hh_trafo_generic_simple_double
-#else
-  end subroutine double_hh_trafo_generic_simple_single
-#endif

src/elpa2_kernels/elpa2_kernels_complex_simple_template.X90 → src/elpa2_kernels/elpa2_kernels_simple_template.X90

@@ -58,6 +58,7 @@
 ! --------------------------------------------------------------------------------------------------
 #endif
 
+#if COMPLEXCASE==1
   ! the intel compiler creates a temp copy of array q
   ! this should be avoided without using assumed size arrays
 #ifdef DOUBLE_PRECISION_COMPLEX
@@ -73,14 +74,14 @@
 
     integer(kind=ik), intent(in)    :: nb, nq, ldq
 #ifdef DESPERATELY_WANT_ASSUMED_SIZE
-    complex(kind=COMPLEX_DATATYPE), intent(inout) :: q(ldq,*)
-    complex(kind=COMPLEX_DATATYPE), intent(in)    :: hh(*)
+    complex(kind=DATATYPE), intent(inout) :: q(ldq,*)
+    complex(kind=DATATYPE), intent(in)    :: hh(*)
 #else
-    complex(kind=COMPLEX_DATATYPE), intent(inout) :: q(1:ldq,1:nb)
-    complex(kind=COMPLEX_DATATYPE), intent(in)    :: hh(1:nb)
+    complex(kind=DATATYPE), intent(inout) :: q(1:ldq,1:nb)
+    complex(kind=DATATYPE), intent(in)    :: hh(1:nb)
 #endif
     integer(kind=ik)                :: i
-    complex(kind=COMPLEX_DATATYPE)                :: h1, tau1, x(nq)
+    complex(kind=DATATYPE)                :: h1, tau1, x(nq)
 
 #ifdef DOUBLE_PRECISION_COMPLEX
 
@@ -88,13 +89,14 @@
     call timer%start("kernel complex generic simple: single_hh_trafo_complex_generic_simple_double")
 #endif
 
-#else
+#else /* DOUBLE_PRECISION_COMPLEX */
 
 #ifdef HAVE_DETAILED_TIMINGS
     call timer%start("kernel complex generic simple: single_hh_trafo_complex_generic_simple_single")
 #endif
 
-#endif
+#endif /* DOUBLE_PRECISION_COMPLEX */
+
     ! Just one Householder transformation
 
     x(1:nq) = q(1:nq,1)
@@ -117,26 +119,43 @@
     call timer%stop("kernel complex generic simple: single_hh_trafo_complex_generic_simple_double")
 #endif
 
-#else
+#else /* DOUBLE_PRECISION_COMPLEX */
 
 #ifdef HAVE_DETAILED_TIMINGS
     call timer%stop("kernel complex generic simple: single_hh_trafo_complex_generic_simple_single")
 #endif
 
-#endif
+#endif /* DOUBLE_PRECISION_COMPLEX */
 
 #ifdef DOUBLE_PRECISION_COMPLEX
   end subroutine single_hh_trafo_complex_generic_simple_double
 #else
   end subroutine single_hh_trafo_complex_generic_simple_single
 #endif
+
+#endif /* COMPLEXCASE == 1 */
   ! --------------------------------------------------------------------------------------------------
 
+#if REALCASE==1
+
+#ifdef DOUBLE_PRECISION_REAL
+  subroutine double_hh_trafo_generic_simple_double(q, hh, nb, nq, ldq, ldh)
+#else
+  subroutine double_hh_trafo_generic_simple_single(q, hh, nb, nq, ldq, ldh)
+#endif
+
+#endif /* REALCASE == 1 */
+
+#if COMPLEXCASE==1
+
 #ifdef DOUBLE_PRECISION_COMPLEX
   subroutine double_hh_trafo_complex_generic_simple_double(q, hh, nb, nq, ldq, ldh)
 #else
   subroutine double_hh_trafo_complex_generic_simple_single(q, hh, nb, nq, ldq, ldh)
 #endif
+
+#endif /* COMPLEXCASE==1 */
+
     use precision
 #ifdef HAVE_DETAILED_TIMINGS
     use timings
@@ -144,16 +163,51 @@
     implicit none
 
     integer(kind=ik), intent(in)    :: nb, nq, ldq, ldh
+#if REALCASE==1
+
 #ifdef DESPERATELY_WANT_ASSUMED_SIZE
-    complex(kind=COMPLEX_DATATYPE), intent(inout) :: q(ldq,*)
-    complex(kind=COMPLEX_DATATYPE), intent(in)    :: hh(ldh,*)
+    real(kind=DATATYPE), intent(inout) :: q(ldq,*)
+    real(kind=DATATYPE), intent(in)    :: hh(ldh,*)
 #else
-    complex(kind=COMPLEX_DATATYPE), intent(inout) :: q(1:ldq,1:nb+1)
-    complex(kind=COMPLEX_DATATYPE), intent(in)    :: hh(1:ldh,1:2)
+    real(kind=DATATYPE), intent(inout) :: q(1:ldq,1:nb+1)
+    real(kind=DATATYPE), intent(in)    :: hh(1:ldh,1:6)
 #endif
-    complex(kind=COMPLEX_DATATYPE)                :: s, h1, h2, tau1, tau2, x(nq), y(nq)
+    real(kind=DATATYPE)                :: s, h1, h2, tau1, tau2, x(nq), y(nq)
+#endif /* REALCASE==1 */
+
+#if COMPLEXCASE==1
+
+#ifdef DESPERATELY_WANT_ASSUMED_SIZE
+    complex(kind=DATATYPE), intent(inout) :: q(ldq,*)
+    complex(kind=DATATYPE), intent(in)    :: hh(ldh,*)
+#else
+    complex(kind=DATATYPE), intent(inout) :: q(1:ldq,1:nb+1)
+    complex(kind=DATATYPE), intent(in)    :: hh(1:ldh,1:2)
+#endif
+    complex(kind=DATATYPE)                :: s, h1, h2, tau1, tau2, x(nq), y(nq)
+#endif /* COMPLEXCASE==1 */
     integer(kind=ik)                :: i
 
+#if REALCASE==1
+
+#ifdef DOUBLE_PRECISION_REAL
+
+#ifdef HAVE_DETAILED_TIMINGS
+    call timer%start("kernel real generic simple: double_hh_trafo_real_generic_simple_double")
+#endif
+
+#else
+
+#ifdef HAVE_DETAILED_TIMINGS
+    call timer%start("kernel real generic simple: double_hh_trafo_real_generic_simple_single")
+#endif
+
+#endif 
+
+#endif /* REALCASE==1 */
+
+#if COMPLEXCASE==1
+
 #ifdef DOUBLE_PRECISION_COMPLEX
 
 #ifdef HAVE_DETAILED_TIMINGS
@@ -168,28 +222,55 @@
 
 #endif
 
+#endif /* COMPLEXCASE==1 */
+
     ! Calculate dot product of the two Householder vectors
+#if REALCASE==1
+    s = hh(2,2)*1.0
+    do i=3,nb
+       s = s+hh(i,2)*hh(i-1,1)
+    enddo
+#endif
 
-    s = conjg(hh(2,2))*1
+#if COMPLEXCASE==1
+    s = conjg(hh(2,2))*1.0
     do i=3,nb
        s = s+(conjg(hh(i,2))*hh(i-1,1))
     enddo
+#endif
 
     ! Do the Householder transformations
 
     x(1:nq) = q(1:nq,2)
+#if REALCASE==1
+    y(1:nq) = q(1:nq,1) + q(1:nq,2)*hh(2,2)
+#endif
 
+#if COMPLEXCASE==1
     y(1:nq) = q(1:nq,1) + q(1:nq,2)*conjg(hh(2,2))
+#endif
 
     do i=3,nb
+#if REALCASE==1
+       h1 = hh(i-1,1)
+       h2 = hh(i,2)
+#endif
+
+#if COMPLEXCASE==1
        h1 = conjg(hh(i-1,1))
        h2 = conjg(hh(i,2))
+#endif
        x(1:nq) = x(1:nq) + q(1:nq,i)*h1
        y(1:nq) = y(1:nq) + q(1:nq,i)*h2
     enddo
 
-    x(1:nq) = x(1:nq) + q(1:nq,nb+1)*conjg(hh(nb,1))
+#if REALCASE==1
+    x(1:nq) = x(1:nq) + q(1:nq,nb+1)*hh(nb,1)
+#endif
 
+#if COMPLEXCASE==1
+    x(1:nq) = x(1:nq) + q(1:nq,nb+1)*conjg(hh(nb,1))
+#endif
     tau1 = hh(1,1)
     tau2 = hh(1,2)
 
@@ -210,22 +291,58 @@
 
     q(1:nq,nb+1) = q(1:nq,nb+1) + x(1:nq)*hh(nb,1)
 
+#if REALCASE==1
+
+#ifdef DOUBLE_PRECISION_REAL
+
+#ifdef HAVE_DETAILED_TIMINGS
+    call timer%stop("kernel real generic simple: double_hh_trafo_complex_generic_simple_double")
+#endif
+
+#else /* DOUBLE_PRECISION_REAL */
+
+#ifdef HAVE_DETAILED_TIMINGS
+    call timer%stop("kernel real generic simple: double_hh_trafo_complex_generic_simple_single")
+#endif
+
+#endif /* DOUBLE_PRECISION_REAL */
+
+#endif /* REALCASE==1 */
+
+#if COMPLEXCASE==1
+
 #ifdef DOUBLE_PRECISION_COMPLEX
 
 #ifdef HAVE_DETAILED_TIMINGS
     call timer%stop("kernel complex generic simple: double_hh_trafo_complex_generic_simple_double")
 #endif
 
-#else
+#else /* DOUBLE_PRECISION_COMPLEX */
 
 #ifdef HAVE_DETAILED_TIMINGS