Frank matrix in test programs

generate_automake_test_programs.py

@@ -23,6 +23,13 @@ gpu_flag = {
 matrix_flag = {
         "random" : "-DTEST_MATRIX_RANDOM",
         "analytic" : "-DTEST_MATRIX_ANALYTIC",
+        "toeplitz" : "-DTEST_MATRIX_TOEPLITZ",
+        "frank" : "-DTEST_MATRIX_FRANK",
+}
+
+qr_flag = {
+        0 : "-DTEST_QR_DECOMPOSITION=0",
+        1 : "-DTEST_QR_DECOMPOSITION=1",
 }
 
 test_type_flag = {
@@ -31,7 +38,6 @@ test_type_flag = {
         "solve_tridiagonal"  : "-DTEST_SOLVE_TRIDIAGONAL",
         "cholesky"  : "-DTEST_CHOLESKY",
         "hermitian_multiply"  : "-DTEST_HERMITIAN_MULTIPLY",
-        "qr"  : "-DTEST_QR_DECOMPOSITION",
 }
 
 layout_flag = {
@@ -39,31 +45,49 @@ layout_flag = {
         "square" : ""
 }
 
-for m, g, t, p, d, s, l in product(
+for m, g, q, t, p, d, s, l in product(
                              sorted(matrix_flag.keys()),
                              sorted(gpu_flag.keys()),
+                             sorted(qr_flag.keys()),
                              sorted(test_type_flag.keys()),
                              sorted(prec_flag.keys()),
                              sorted(domain_flag.keys()),
                              sorted(solver_flag.keys()),
                              sorted(layout_flag.keys())):
 
+    # exclude some test combinations
+
+    # analytic tests only for "eigenvectors" and not on GPU
     if(m == "analytic" and (g == 1 or t != "eigenvectors")):
         continue
 
+    # Frank tests only for "eigenvectors" and eigenvalues and real double precision case
+    if(m == "frank" and ((t != "eigenvectors"  or t != "eigenvalues") and (d !="real" or p !="double"))):
+        continue
+
     if(s in ["scalapack_all", "scalapack_part"]  and (g == 1 or t != "eigenvectors" or m != "analytic")):
         continue
 
-    if (t == "solve_tridiagonal" and (s == "2stage" or d == "complex")):
+    # solve tridiagonal only for real toeplitz matrix in 1stage
+    if (t == "solve_tridiagonal" and (s != "1stage" or d !="real" or m != "toeplitz")):
         continue
 
-    if (t == "cholesky" and (s == "2stage")):
+
+    # cholesky tests only 1stage and teoplitz matrix
+    if (t == "cholesky" and (m != "toeplitz" or s == "2stage")):
+        continue
+
+    if (t == "eigenvalues" and (m == "random")):
         continue
 
     if (t == "hermitian_multiply" and (s == "2stage")):
         continue
 
-    if (t == "qr" and (s == "1stage" or d == "complex")):
+    if (t == "hermitian_multiply" and (m == "toeplitz")):
+        continue
+
+    # qr only for 2stage real
+    if (q == 1 and (s != "2stage" or d != "real" or t != "eigenvectors" or g == 1 or m != "random")):
         continue
 
     for kernel in ["all_kernels", "default_kernel"] if s == "2stage" else ["nokernel"]:
@@ -102,13 +126,18 @@ for m, g, t, p, d, s, l in product(
                 raise Exception("Oh no!")
             endifs += 1
 
-        name = "test_{0}_{1}_{2}_{3}{4}{5}{6}{7}".format(
+        name = "test_{0}_{1}_{2}_{3}{4}_{5}{6}{7}{8}".format(
                     d, p, t, s,
                     "" if kernel == "nokernel" else "_" + kernel,
-                    "_gpu" if g else "",
-                    "_analytic" if m == "analytic" else "",
+                    "gpu_" if g else "",
+                    "qr_" if q else "",
+                    m,
                     "_all_layouts" if l == "all_layouts" else "")
+        print("if BUILD_KCOMPUTER")
+        print("bin_PROGRAMS += " + name)
+        print("else")
         print("noinst_PROGRAMS += " + name)
+        print("endif")
         print("check_SCRIPTS += " + name + ".sh")
         print(name + "_SOURCES = test/Fortran/test.F90")
         print(name + "_LDADD = $(test_program_ldadd)")
@@ -120,6 +149,7 @@ for m, g, t, p, d, s, l in product(
             test_type_flag[t],
             solver_flag[s],
             gpu_flag[g],
+            qr_flag[q],
             matrix_flag[m]] + extra_flags))
 
         print("endif\n" * endifs)

test/Fortran/test.F90

@@ -145,7 +145,7 @@ program test
 
    logical                     :: check_all_evals
 
-#if defined(TEST_EIGENVALUES) || defined(TEST_SOLVE_TRIDIAGONAL) || defined(TEST_EIGENVECTORS) || defined(TEST_QR_DECOMPOSITION) || defined(TEST_HERMITIAN_MULTIPLY)
+#if defined(TEST_EIGENVALUES) || defined(TEST_SOLVE_TRIDIAGONAL) || defined(TEST_EIGENVECTORS) || TEST_QR_DECOMPOSITION == 1 || defined(TEST_HERMITIAN_MULTIPLY)
    EV_TYPE, allocatable        :: d(:), sd(:), ds(:), sds(:)
    EV_TYPE                     :: diagonalELement, subdiagonalElement
 #endif
@@ -167,19 +167,12 @@ program test
 #endif
    integer                     :: kernel
    character(len=1)            :: layout
-#ifdef TEST_COMPLEX
-   EV_TYPE                     :: norm, normmax
-   MATRIX_TYPE, allocatable    :: tmp1(:,:), tmp2(:,:)
-#ifdef TEST_DOUBLE
-   MATRIX_TYPE, parameter      :: CONE = (1.0_c_double, 0.0_c_double), &
-                                  CZERO = (0.0_c_double, 0.0_c_double)
-   EV_TYPE :: pzlange, zlange
-#else
-   MATRIX_TYPE, parameter      :: CONE = (1.0_c_float, 0.0_c_float), &
-                                  CZERO = (0.0_c_float, 0.0_c_float)
-   EV_TYPE :: pclange, clange
-#endif
-#endif
+   logical                     :: do_test_numeric_residual, do_test_analytic_eigenvalues, &
+                                  do_test_analytic_eigenvalues_eigenvectors,   &
+                                  do_test_frank_eigenvalues,  &
+                                  do_test_toeplitz_eigenvalues, do_test_cholesky,   &
+                                  do_test_hermitian_multiply
+
    call read_input_parameters_traditional(na, nev, nblk, write_to_file)
    call setup_mpi(myid, nprocs)
 #ifdef HAVE_REDIRECT
@@ -191,6 +184,23 @@ program test
 
    check_all_evals = .true.
 
+
+   do_test_numeric_residual = .false.
+   do_test_analytic_eigenvalues = .false.
+   do_test_analytic_eigenvalues_eigenvectors = .false.
+   do_test_frank_eigenvalues = .false.
+   do_test_toeplitz_eigenvalues = .false. 
+
+   do_test_cholesky = .false.
+#if defined(TEST_CHOLESKY)
+   do_test_cholesky = .true.
+#endif
+   do_test_hermitian_multiply = .false.
+#if defined(TEST_HERMITIAN_MULTIPLY)
+   do_test_hermitian_multiply = .true.
+#endif
+
+   status = 0
    if (elpa_init(CURRENT_API_VERSION) /= ELPA_OK) then
      print *, "ELPA API version not supported"
      stop 1
@@ -230,14 +240,14 @@ program test
      print *,''
    endif
 
-#ifdef TEST_QR_DECOMPOSITION
+#if TEST_QR_DECOMPOSITION == 1
 
 #if TEST_GPU == 1
 #ifdef WITH_MPI
      call mpi_finalize(mpierr)
 #endif
      stop 77
-#endif
+#endif /* TEST_GPU */
    if (nblk .lt. 64) then
      if (myid .eq. 0) then
        print *,"At the moment QR decomposition need blocksize of at least 64"
@@ -251,7 +261,8 @@ program test
 #endif
      stop 77
    endif
-#endif
+#endif /* TEST_QR_DECOMPOSITION */
+
 
    call set_up_blacsgrid(mpi_comm_world, np_rows, np_cols, layout, &
                          my_blacs_ctxt, my_prow, my_pcol)
@@ -269,7 +280,7 @@ program test
    allocate(c (na_rows,na_cols))
 #endif
 
-#if defined(TEST_EIGENVALUES) || defined(TEST_SOLVE_TRIDIAGONAL) || defined(TEST_EIGENVECTORS) || defined(TEST_QR_DECOMPOSITION) || defined(TEST_CHOLESKY)
+#if defined(TEST_EIGENVALUES) || defined(TEST_SOLVE_TRIDIAGONAL) || defined(TEST_EIGENVECTORS) || TEST_QR_DECOMPOSITION == 1|| defined(TEST_CHOLESKY)
    allocate(d (na), ds(na))
    allocate(sd (na), sds(na))
    allocate(ev_analytic(na))
@@ -279,59 +290,85 @@ program test
    z(:,:) = 0.0
    ev(:) = 0.0
 
-#if defined(TEST_EIGENVECTORS) || defined(TEST_HERMITIAN_MULTIPLY) || defined(TEST_QR_DECOMPOSITION)
-#ifdef TEST_MATRIX_ANALYTIC
-   call prepare_matrix_analytic(na, a, nblk, myid, np_rows, np_cols, my_prow, my_pcol)
-   as(:,:) = a
-#else
-   if (nev .ge. 1) then
+#if defined(TEST_MATRIX_RANDOM) && !defined(TEST_SOLVE_TRIDIAGONAL) && !defined(TEST_CHOLESKY) && !defined(TEST_EIGENVALUES)
+   ! the random matrix can be used in allmost all tests; but for some no
+   ! correctness checks have been implemented; do not allow these
+   ! combinations
+   ! RANDOM + TEST_SOLVE_TRIDIAGONAL: we need a TOEPLITZ MATRIX
+   ! RANDOM + TEST_CHOLESKY: no correctness check yet implemented
+   ! RANDOM + TEST_EIGENVALUES: no correctness check known
+
+   ! We also have to take care of special case in TEST_EIGENVECTORS
+#if !defined(TEST_EIGENVECTORS)
+    call prepare_matrix_random(na, myid, sc_desc, a, z, as)
+
+    do_test_analytic_eigenvalues = .false.
+    do_test_analytic_eigenvalues_eigenvectors = .false.
+    do_test_frank_eigenvalues = .false.
+    do_test_toeplitz_eigenvalues = .false.
+
+#else /* TEST_EIGENVECTORS */
+
+    if (nev .ge. 1) then
      call prepare_matrix_random(na, myid, sc_desc, a, z, as)
+
+    do_test_analytic_eigenvalues = .false.
+    do_test_analytic_eigenvalues_eigenvectors = .false.
+    do_test_frank_eigenvalues = .false.
+    do_test_toeplitz_eigenvalues = .false.
+#ifndef TEST_HERMITIAN_MULTIPLY
+    do_test_numeric_residual = .true.
+#endif
    else
-     ! zero eigenvectors and not analytic test => toeplitz matrix
-#ifdef TEST_SINGLE
-     diagonalElement = 0.45_c_float
-     subdiagonalElement =  0.78_c_float
-#else
-     diagonalElement = 0.45_c_double
-     subdiagonalElement =  0.78_c_double
+     if (myid .eq. 0) then
+       print *,"At the moment with the random matrix you need nev >=1"
+     endif
+#ifdef WITH_MPI
+     call mpi_finalize(mpierr)
 #endif
-     call prepare_matrix_toeplitz(na, diagonalElement, subdiagonalElement, &
-                                  d, sd, ds, sds, a, as, nblk, np_rows, &
-                                  np_cols, my_prow, my_pcol)
-   endif
+     stop 77
 
-#ifdef TEST_HERMITIAN_MULTIPLY
-#ifdef TEST_REAL
+   endif
 
-#ifdef TEST_DOUBLE
-   b(:,:) = 2.0_c_double * a(:,:)
-   c(:,:) = 1.0_c_double
-#else
-   b(:,:) = 2.0_c_float * a(:,:)
-   c(:,:) = 1.0_c_float
+#endif /* TEST_EIGENVECTORS */
+#endif /* (TEST_MATRIX_RANDOM) */
+#if defined(TEST_MATRIX_RANDOM) && (defined(TEST_SOLVE_TRIDIAGONAL) || defined(TEST_CHOLESKY) || defined(TEST_EIGENVALUES))
+#error "Random matrix is not allowed in this configuration"
 #endif
 
-#endif
+#if defined(TEST_MATRIX_ANALYTIC)  && !defined(TEST_SOLVE_TRIDIAGONAL) && !defined(TEST_CHOLESKY)
+   ! the analytic matrix can be used in allmost all tests; but for some no
+   ! correctness checks have been implemented; do not allow these
+   ! combinations
+   ! ANALYTIC + TEST_SOLVE_TRIDIAGONAL: we need a TOEPLITZ MATRIX
+   ! ANALTIC  + TEST_CHOLESKY: no correctness check yet implemented
 
-#ifdef TEST_COMPLEX
+   call prepare_matrix_analytic(na, a, nblk, myid, np_rows, np_cols, my_prow, my_pcol)
+   as(:,:) = a
 
-#ifdef TEST_DOUBLE
-   b(:,:) = 2.0_c_double * a(:,:)
-   c(:,:) = (1.0_c_double, 0.0_c_double)
-#else
-   b(:,:) = 2.0_c_float * a(:,:)
-   c(:,:) = (1.0_c_float, 0.0_c_float)
+   do_test_numeric_residual = .false.
+   do_test_analytic_eigenvalues_eigenvectors = .false.
+#ifndef TEST_HERMITIAN_MULTIPLY
+   do_test_analytic_eigenvalues = .true.
 #endif
-
+#if defined(TEST_EIGENVECTORS)
+   if (nev .ge. 1) then
+     do_test_analytic_eigenvalues_eigenvectors = .true.
+     do_test_numeric_residual = .true.
+   else
+     do_test_analytic_eigenvalues_eigenvectors = .false.
+     do_test_numeric_residual = .false.
+   endif
 #endif
-
-#endif /* TEST_HERMITIAN_MULTIPLY */
-
+   do_test_frank_eigenvalues = .false.
+   do_test_toeplitz_eigenvalues = .false.
 #endif /* TEST_MATRIX_ANALYTIC */
-#endif /* defined(TEST_EIGENVECTORS) || defined(TEST_HERMITIAN_MULTIPLY) || defined(TEST_QR_DECOMPOSITION) */
-
-#if defined(TEST_EIGENVALUES) || defined(TEST_SOLVE_TRIDIAGONAL)
+#if defined(TEST_MATRIX_ANALYTIC) && (defined(TEST_SOLVE_TRIDIAGONAL) || defined(TEST_CHOLESKY))
+#error "Analytic matrix is not allowd in this configuration"
+#endif
 
+#if defined(TEST_MATRIX_TOEPLITZ)
+   ! The Toeplitz matrix works in each test
 #ifdef TEST_SINGLE
    diagonalElement = 0.45_c_float
    subdiagonalElement =  0.78_c_float
@@ -339,13 +376,8 @@ program test
    diagonalElement = 0.45_c_double
    subdiagonalElement =  0.78_c_double
 #endif
-   call prepare_matrix_toeplitz(na, diagonalElement, subdiagonalElement, &
-                                d, sd, ds, sds, a, as, nblk, np_rows, &
-                                np_cols, my_prow, my_pcol)
-#endif /* EIGENVALUES OR TRIDIAGONAL */
 
 #if defined(TEST_CHOLESKY)
-
 #ifdef TEST_SINGLE
    diagonalElement = (2.546_c_float, 0.0_c_float)
    subdiagonalElement =  (0.0_c_float, 0.0_c_float)
@@ -353,12 +385,107 @@ program test
    diagonalElement = (2.546_c_double, 0.0_c_double)
    subdiagonalElement =  (0.0_c_double, 0.0_c_double)
 #endif
+#endif /* TEST_CHOLESKY */
+
    call prepare_matrix_toeplitz(na, diagonalElement, subdiagonalElement, &
                                 d, sd, ds, sds, a, as, nblk, np_rows, &
                                 np_cols, my_prow, my_pcol)
 
 
-#endif /* TEST_CHOLESKY */
+   do_test_numeric_residual = .false.
+#if defined(TEST_EIGENVECTORS)
+   if (nev .ge. 1) then
+     do_test_numeric_residual = .true.
+   else
+     do_test_numeric_residual = .false.
+   endif
+#endif
+
+   do_test_analytic_eigenvalues = .false.
+   do_test_analytic_eigenvalues_eigenvectors = .false.
+   do_test_frank_eigenvalues = .false.
+#if defined(TEST_CHOLESKY)
+   do_test_toeplitz_eigenvalues = .false.
+#else
+   do_test_toeplitz_eigenvalues = .true.
+#endif
+#endif /* TEST_MATRIX_TOEPLITZ */
+
+
+#if defined(TEST_MATRIX_FRANK) && !defined(TEST_SOLVE_TRIDIAGONAL) && !defined(TEST_CHOLESKY)
+   ! the random matrix can be used in allmost all tests; but for some no
+   ! correctness checks have been implemented; do not allow these
+   ! combinations
+   ! FRANK + TEST_SOLVE_TRIDIAGONAL: we need a TOEPLITZ MATRIX
+   ! FRANK + TEST_CHOLESKY: no correctness check yet implemented
+
+   ! We also have to take care of special case in TEST_EIGENVECTORS
+#if !defined(TEST_EIGENVECTORS)
+    call prepare_matrix_frank(na, a, z, as, nblk, np_rows, np_cols, my_prow, my_pcol)
+
+    do_test_analytic_eigenvalues = .false.
+    do_test_analytic_eigenvalues_eigenvectors = .false.
+#ifndef TEST_HERMITIAN_MULTIPLY
+    do_test_frank_eigenvalues = .true.
+#endif
+    do_test_toeplitz_eigenvalues = .false.
+
+#else /* TEST_EIGENVECTORS */
+
+    if (nev .ge. 1) then
+     call prepare_matrix_frank(na, a, z, as, nblk, np_rows, np_cols, my_prow, my_pcol)
+
+    do_test_analytic_eigenvalues = .false.
+    do_test_analytic_eigenvalues_eigenvectors = .false.
+#ifndef TEST_HERMITIAN_MULTIPLY
+    do_test_frank_eigenvalues = .true.
+#endif
+    do_test_toeplitz_eigenvalues = .false.
+    do_test_numeric_residual = .false.
+   else
+    do_test_analytic_eigenvalues = .false.
+    do_test_analytic_eigenvalues_eigenvectors = .false.
+#ifndef TEST_HERMITIAN_MULTIPLY
+    do_test_frank_eigenvalues = .true.
+#endif
+    do_test_toeplitz_eigenvalues = .false.
+    do_test_numeric_residual = .false.
+
+   endif
+
+#endif /* TEST_EIGENVECTORS */
+#endif /* (TEST_MATRIX_FRANK) */
+#if defined(TEST_MATRIX_FRANK) && (defined(TEST_SOLVE_TRIDIAGONAL) || defined(TEST_CHOLESKY))
+#error "FRANK matrix is not allowed in this configuration"
+#endif
+
+
+#ifdef TEST_HERMITIAN_MULTIPLY
+#ifdef TEST_REAL
+
+#ifdef TEST_DOUBLE
+   b(:,:) = 2.0_c_double * a(:,:)
+   c(:,:) = 0.0_c_double
+#else
+   b(:,:) = 2.0_c_float * a(:,:)
+   c(:,:) = 0.0_c_float
+#endif
+
+#endif /* TEST_REAL */
+
+#ifdef TEST_COMPLEX
+
+#ifdef TEST_DOUBLE
+   b(:,:) = 2.0_c_double * a(:,:)
+   c(:,:) = (0.0_c_double, 0.0_c_double)
+#else
+   b(:,:) = 2.0_c_float * a(:,:)
+   c(:,:) = (0.0_c_float, 0.0_c_float)
+#endif
+
+#endif /* TEST_COMPLEX */
+
+#endif /* TEST_HERMITIAN_MULTIPLY */
 
    e => elpa_allocate()
 
@@ -381,22 +508,20 @@ program test
    call e%set("process_col", my_pcol, error)
    assert_elpa_ok(error)
 #endif
-
-   call e%set("timings",1)
-
+   call e%set("timings",1,error)
    assert_elpa_ok(e%setup())
 
 #ifdef TEST_SOLVER_1STAGE
-   call e%set("solver", ELPA_SOLVER_1STAGE)
+   call e%set("solver", ELPA_SOLVER_1STAGE,error)
 #else
-   call e%set("solver", ELPA_SOLVER_2STAGE)
+   call e%set("solver", ELPA_SOLVER_2STAGE,error)
 #endif
    assert_elpa_ok(error)
 
    call e%set("gpu", TEST_GPU, error)
    assert_elpa_ok(error)
 
-#ifdef TEST_QR_DECOMPOSITION
+#if TEST_QR_DECOMPOSITION == 1
    call e%set("qr", 1, error)
    assert_elpa_ok(error)
 #endif
@@ -420,7 +545,7 @@ program test
        cycle
      endif
      ! actually used kernel might be different if forced via environment variables
-     call e%get(KERNEL_KEY, kernel)
+     call e%get(KERNEL_KEY, kernel, error)
 #endif
      if (myid == 0) then
        print *, elpa_int_value_to_string(KERNEL_KEY, kernel) // " kernel"
@@ -432,8 +557,12 @@ program test
 #endif
 
      ! The actual solve step
-#if defined(TEST_EIGENVECTORS) || defined(TEST_QR_DECOMPOSITION)
+#if defined(TEST_EIGENVECTORS)
+#if TEST_QR_DECOMPOSITION == 1
+     call e%timer_start("e%eigenvectors_qr()")
+#else
      call e%timer_start("e%eigenvectors()")
+#endif
 #ifdef TEST_SCALAPACK_ALL
      call solve_scalapack_all(na, a, sc_desc, ev, z)
 #elif TEST_SCALAPACK_PART
@@ -442,8 +571,12 @@ program test
 #else