scalapack test added

for easier comparisons of elpa and mkl, a test case using scalapack
function pdsyevd has been added

Makefile.am

@@ -462,6 +462,7 @@ libelpatest@SUFFIX@_la_SOURCES = \
   test/shared/test_blacs_infrastructure.F90 \
   test/shared/test_prepare_matrix.F90 \
   test/shared/test_analytic.F90 \
+  test/shared/test_scalapack.F90 \
   test/shared/test_output_type.F90
 
 if HAVE_REDIRECT

generate_automake_test_programs.py

@@ -13,6 +13,7 @@ prec_flag = {
 solver_flag = {
         "1stage" : "-DTEST_SOLVER_1STAGE",
         "2stage" : "-DTEST_SOLVER_2STAGE",
+        "scalapack_all" : "-DTEST_SCALAPACK_ALL",
 }
 gpu_flag = {
         0 : "-DTEST_GPU=0",
@@ -47,6 +48,9 @@ for m, g, t, p, d, s, l in product(
     if(m == "analytic" and (g == 1 or t != "eigenvectors" or p == "single" or d == "complex")):
         continue
 
+    if(s == "scalapack_all" and (g == 1 or t != "eigenvectors" or p == "single" or d == "complex" or m != "analytic")):
+        continue
+
     if (t == "solve_tridiagonal" and (s == "2stage" or d == "complex")):
         continue
 

test/Fortran/test.F90

@@ -48,16 +48,16 @@
 ! Define TEST_GPU \in [0, 1]
 ! Define either TEST_ALL_KERNELS or a TEST_KERNEL \in [any valid kernel]
 
-#if !(defined(TEST_REAL) ^ defined(TEST_COMPLEX))
-error: define exactly one of TEST_REAL or TEST_COMPLEX
+#if !(defined(TEST_REAL) ^ defined(TEST_COMPLEX) )
+error: define exactly one of TEST_REAL or TEST_COMPLEX 
 #endif
 
 #if !(defined(TEST_SINGLE) ^ defined(TEST_DOUBLE))
 error: define exactly one of TEST_SINGLE or TEST_DOUBLE
 #endif
 
-#if !(defined(TEST_SOLVER_1STAGE) ^ defined(TEST_SOLVER_2STAGE))
-error: define exactly one of TEST_SOLVER_1STAGE or TEST_SOLVER_2STAGE
+#if !(defined(TEST_SOLVER_1STAGE) ^ defined(TEST_SOLVER_2STAGE) ^ defined(TEST_SCALAPACK_ALL))
+error: define exactly one of TEST_SOLVER_1STAGE or TEST_SOLVER_2STAGE or TEST_SCALAPACK_ALL 
 #endif
 
 #ifdef TEST_SOLVER_1STAGE
@@ -111,6 +111,7 @@ program test
    use test_blacs_infrastructure
    use test_check_correctness
    use test_analytic
+   use test_scalapack
 
 #ifdef HAVE_REDIRECT
    use test_redirect
@@ -331,7 +332,11 @@ program test
      ! The actual solve step
 #ifdef TEST_EIGENVECTORS
      call e%timer_start("e%eigenvectors()")
+#ifdef TEST_SCALAPACK_ALL
+     call solve_scalapack_all(na, a, sc_desc, ev, z)
+#else
      call e%eigenvectors(a, ev, z, error)
+#endif
      call e%timer_stop("e%eigenvectors()")
 #endif
 
@@ -348,6 +353,7 @@ program test
      ev(:) = d(:)
 #endif
 
+
      assert_elpa_ok(error)
 
 #ifdef TEST_ALL_KERNELS

test/shared/test_scalapack.F90

+! (c) Copyright Pavel Kus, 2017, MPCDF
+!
+!    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.
+
+#include "config-f90.h"
+
+module test_scalapack
+  use test_util
+
+  interface solve_scalapack_all
+    module procedure solve_pdsyevd
+  end interface  
+
+contains
+
+  subroutine solve_pdsyevd(na, a, sc_desc, ev, z)
+    implicit none 
+    integer(kind=ik), intent(in)     :: na
+    real(kind=rk8), intent(in)       :: a(:,:)
+    real(kind=rk8), intent(inout)    :: z(:,:), ev(:)
+    integer(kind=ik), intent(in)     :: sc_desc(:)
+    integer(kind=ik)                 :: info, lwork, liwork
+    real(kind=rk8), allocatable      :: work(:)
+    integer, allocatable             :: iwork(:) 
+  
+    allocate(work(1), iwork(1))
+
+    ! query for required workspace
+    call pdsyevd('V', 'U', na, a, 1, 1, sc_desc, ev, z, 1, 1, sc_desc, work, -1, iwork, -1, info)
+    !  write(*,*) "computed sizes", lwork, liwork, "required sizes ", work(1), iwork(1)
+    lwork = work(1)
+    liwork = iwork(1)
+      
+    deallocate(work, iwork)
+    allocate(work(lwork), stat = info)
+    allocate(iwork(liwork), stat = info)
+    
+    ! the actuall call to the method
+    call pdsyevd('V', 'U', na, a, 1, 1, sc_desc, ev, z, 1, 1, sc_desc, work, lwork, iwork, liwork, info)
+
+    deallocate(iwork)
+    deallocate(work)
+  end subroutine
+
+end module