elpa2_bandred_complex single/double unified

generate/generate_precision.py

@@ -19,6 +19,7 @@ simple_tokens = [
     "qr_pdgeqrf_2dcomm_PRECISION",
     "hh_transform_NUMBER_PRECISION",
     "symm_matrix_allreduce_PRECISION",
+    "herm_matrix_allreduce_PRECISION",
     "redist_band_NUMBER_PRECISION",
     "unpack_row_NUMBER_cpu_PRECISION",
     "unpack_row_NUMBER_cpu_openmp_PRECISION",
@@ -94,6 +95,7 @@ explicit_tokens_complex = [
     ("CONST_COMPLEX_PAIR_0_0", "(0.0_rk8,0.0_rk8)", "(0.0_rk4,0.0_rk4)"),
     ("CONST_COMPLEX_PAIR_1_0", "(1.0_rk8,0.0_rk8)", "(1.0_rk4,0.0_rk4)"),
     ("CONST_COMPLEX_PAIR_NEGATIVE_1_0", "(-1.0_rk8,0.0_rk8)", "(-1.0_rk4,0.0_rk4)"),
+    ("CONST_COMPLEX_PAIR_NEGATIVE_0_5", "(-0.5_rk8,0.0_rk8)", "(-0.5_rk4,0.0_rk4)"),
     ("CONST_COMPLEX_0_0", "0.0_ck8", "0.0_ck4"),
     ("CONST_COMPLEX_1_0", "1.0_ck8", "1.0_ck4"),
     ("size_of_PRECISION_complex", "size_of_double_complex_datatype", "size_of_single_complex_datatype"),

src/elpa2_herm_matrix_allreduce_complex_template.X90

 
-#ifdef DOUBLE_PRECISION_COMPLEX
-     subroutine herm_matrix_allreduce_double(n,a,lda,ldb,comm)
-#else
-     subroutine herm_matrix_allreduce_single(n,a,lda,ldb,comm)
-#endif
+     subroutine herm_matrix_allreduce_PRECISION(n,a,lda,ldb,comm)
      !-------------------------------------------------------------------------------
      !  herm_matrix_allreduce: Does an mpi_allreduce for a hermitian matrix A.
      !  On entry, only the upper half of A needs to be set
      !  On exit, the complete matrix is set
 #ifdef HAVE_DETAILED_TIMINGS
        use timings
+#else 
+       use timings_dummy
 #endif
 
       use precision
@@ -20,13 +18,7 @@
       integer(kind=ik)               :: i, nc, mpierr
       complex(kind=COMPLEX_DATATYPE) :: h1(n*n), h2(n*n)
 
-#ifdef HAVE_DETAILED_TIMINGS
-#ifdef DOUBLE_PRECISION_COMPLEX
-       call timer%start("herm_matrix_allreduce_double")
-#else
-       call timer%start("herm_matrix_allreduce_single")
-#endif
-#endif
+       call timer%start("herm_matrix_allreduce" // PRECISION_SUFFIX)
 
        nc = 0
        do i=1,n
@@ -34,18 +26,9 @@
          nc = nc+i
        enddo
 #ifdef WITH_MPI
-#ifdef HAVE_DETAILED_TIMINGS
        call timer%start("mpi_communication")
-#endif
-
-#ifdef DOUBLE_PRECISION_COMPLEX
-       call mpi_allreduce(h1, h2, nc, MPI_DOUBLE_COMPLEX, MPI_SUM, comm, mpierr)
-#else
-       call mpi_allreduce(h1, h2, nc, MPI_COMPLEX, MPI_SUM, comm, mpierr)
-#endif
-#ifdef HAVE_DETAILED_TIMINGS
+       call mpi_allreduce(h1, h2, nc, MPI_COMPLEX_PRECISION, MPI_SUM, comm, mpierr)
        call timer%stop("mpi_communication")
-#endif
 
        nc = 0
        do i=1,n
@@ -75,18 +58,8 @@
 !         nc = nc+i
 !       enddo
 
-#ifdef HAVE_DETAILED_TIMINGS
-#ifdef DOUBLE_PRECISION_COMPLEX
-       call timer%stop("herm_matrix_allreduce_double")
-#else
-       call timer%stop("herm_matrix_allreduce_single")
-#endif
-#endif
+       call timer%stop("herm_matrix_allreduce" // PRECISION_SUFFIX)
 
-#ifdef DOUBLE_PRECISION_COMPLEX
-     end subroutine herm_matrix_allreduce_double
-#else
-     end subroutine herm_matrix_allreduce_single
-#endif
+     end subroutine herm_matrix_allreduce_PRECISION
 
 

src/precision_macros_complex.h

@@ -14,6 +14,7 @@
 #undef  qr_pdgeqrf_2dcomm_PRECISION
 #undef  hh_transform_complex_PRECISION
 #undef  symm_matrix_allreduce_PRECISION
+#undef  herm_matrix_allreduce_PRECISION
 #undef  redist_band_complex_PRECISION
 #undef  unpack_row_complex_cpu_PRECISION
 #undef  unpack_row_complex_cpu_openmp_PRECISION
@@ -83,6 +84,7 @@
 #undef  CONST_COMPLEX_PAIR_0_0
 #undef  CONST_COMPLEX_PAIR_1_0
 #undef  CONST_COMPLEX_PAIR_NEGATIVE_1_0
+#undef  CONST_COMPLEX_PAIR_NEGATIVE_0_5
 #undef  CONST_COMPLEX_0_0
 #undef  CONST_COMPLEX_1_0
 #undef  size_of_PRECISION_complex
@@ -101,6 +103,7 @@
 #define  qr_pdgeqrf_2dcomm_PRECISION qr_pdgeqrf_2dcomm_double
 #define  hh_transform_complex_PRECISION hh_transform_complex_double
 #define  symm_matrix_allreduce_PRECISION symm_matrix_allreduce_double
+#define  herm_matrix_allreduce_PRECISION herm_matrix_allreduce_double
 #define  redist_band_complex_PRECISION redist_band_complex_double
 #define  unpack_row_complex_cpu_PRECISION unpack_row_complex_cpu_double
 #define  unpack_row_complex_cpu_openmp_PRECISION unpack_row_complex_cpu_openmp_double
@@ -170,6 +173,7 @@
 #define  CONST_COMPLEX_PAIR_0_0 (0.0_rk8,0.0_rk8)
 #define  CONST_COMPLEX_PAIR_1_0 (1.0_rk8,0.0_rk8)
 #define  CONST_COMPLEX_PAIR_NEGATIVE_1_0 (-1.0_rk8,0.0_rk8)
+#define  CONST_COMPLEX_PAIR_NEGATIVE_0_5 (-0.5_rk8,0.0_rk8)
 #define  CONST_COMPLEX_0_0 0.0_ck8
 #define  CONST_COMPLEX_1_0 1.0_ck8
 #define  size_of_PRECISION_complex size_of_double_complex_datatype
@@ -189,6 +193,7 @@
 #undef  qr_pdgeqrf_2dcomm_PRECISION
 #undef  hh_transform_complex_PRECISION
 #undef  symm_matrix_allreduce_PRECISION
+#undef  herm_matrix_allreduce_PRECISION
 #undef  redist_band_complex_PRECISION
 #undef  unpack_row_complex_cpu_PRECISION
 #undef  unpack_row_complex_cpu_openmp_PRECISION
@@ -258,6 +263,7 @@
 #undef  CONST_COMPLEX_PAIR_0_0
 #undef  CONST_COMPLEX_PAIR_1_0
 #undef  CONST_COMPLEX_PAIR_NEGATIVE_1_0
+#undef  CONST_COMPLEX_PAIR_NEGATIVE_0_5
 #undef  CONST_COMPLEX_0_0
 #undef  CONST_COMPLEX_1_0
 #undef  size_of_PRECISION_complex
@@ -276,6 +282,7 @@
 #define  qr_pdgeqrf_2dcomm_PRECISION qr_pdgeqrf_2dcomm_single
 #define  hh_transform_complex_PRECISION hh_transform_complex_single
 #define  symm_matrix_allreduce_PRECISION symm_matrix_allreduce_single
+#define  herm_matrix_allreduce_PRECISION herm_matrix_allreduce_single
 #define  redist_band_complex_PRECISION redist_band_complex_single
 #define  unpack_row_complex_cpu_PRECISION unpack_row_complex_cpu_single
 #define  unpack_row_complex_cpu_openmp_PRECISION unpack_row_complex_cpu_openmp_single
@@ -345,6 +352,7 @@
 #define  CONST_COMPLEX_PAIR_0_0 (0.0_rk4,0.0_rk4)
 #define  CONST_COMPLEX_PAIR_1_0 (1.0_rk4,0.0_rk4)
 #define  CONST_COMPLEX_PAIR_NEGATIVE_1_0 (-1.0_rk4,0.0_rk4)
+#define  CONST_COMPLEX_PAIR_NEGATIVE_0_5 (-0.5_rk4,0.0_rk4)
 #define  CONST_COMPLEX_0_0 0.0_ck4
 #define  CONST_COMPLEX_1_0 1.0_ck4
 #define  size_of_PRECISION_complex size_of_single_complex_datatype