Abort on error in QR-decomposition

If the QR-decomposition is used wrongly (matrix size is not a
multiple of block size) the the execution will abort, in
order to prevent the wrong results, discussed in a previous commit

Debug messages are now available by setting the environment variable
"ELPA_DEBUG_MESSAGES" to "yes".

Makefile.am

@@ -9,7 +9,7 @@ AM_LDFLAGS = $(SCALAPACK_LDFLAGS)
 lib_LTLIBRARIES = libelpa@SUFFIX@.la
 libelpa@SUFFIX@_la_LINK = $(FCLINK) $(AM_LDFLAGS) -version-info $(ELPA_SO_VERSION) -lstdc++
 
-libelpa@SUFFIX@_la_SOURCES = src/elpa1.F90 src/elpa2.F90
+libelpa@SUFFIX@_la_SOURCES = src/elpa_utilities.F90 src/elpa1.F90 src/elpa2_utilities.F90 src/elpa2.F90
 libelpa@SUFFIX@_la_SOURCES += src/elpa_qr/qr_utils.f90 \
                                src/elpa_qr/elpa_qrkernels.f90 \
                                src/elpa_qr/elpa_pdlarfb.f90 \

Makefile.in

@@ -170,7 +170,8 @@ am__installdirs = "$(DESTDIR)$(libdir)" "$(DESTDIR)$(bindir)" \
 	"$(DESTDIR)$(pkgconfigdir)" "$(DESTDIR)$(elpa_includedir)"
 LTLIBRARIES = $(lib_LTLIBRARIES)
 libelpa@SUFFIX@_la_LIBADD =
-am__libelpa@SUFFIX@_la_SOURCES_DIST = src/elpa1.F90 src/elpa2.F90 \
+am__libelpa@SUFFIX@_la_SOURCES_DIST = src/elpa_utilities.F90 \
+	src/elpa1.F90 src/elpa2_utilities.F90 src/elpa2.F90 \
 	src/elpa_qr/qr_utils.f90 src/elpa_qr/elpa_qrkernels.f90 \
 	src/elpa_qr/elpa_pdlarfb.f90 src/elpa_qr/elpa_pdgeqrf.f90 \
 	src/timer.F90 src/ftimings/ftimings.F90 \
@@ -212,14 +213,14 @@ am__dirstamp = $(am__leading_dot)dirstamp
 @WITH_REAL_AVX_BLOCK6_KERNEL_TRUE@am__objects_12 = src/elpa2_kernels/elpa2_kernels_real_sse-avx_6hv.lo
 @WITH_COMPLEX_AVX_BLOCK1_KERNEL_TRUE@am__objects_13 = src/elpa2_kernels/elpa2_kernels_complex_sse-avx_1hv.lo
 @WITH_COMPLEX_AVX_BLOCK2_KERNEL_TRUE@am__objects_14 = src/elpa2_kernels/elpa2_kernels_complex_sse-avx_2hv.lo
-am_libelpa@SUFFIX@_la_OBJECTS = src/elpa1.lo src/elpa2.lo \
-	src/elpa_qr/qr_utils.lo src/elpa_qr/elpa_qrkernels.lo \
-	src/elpa_qr/elpa_pdlarfb.lo src/elpa_qr/elpa_pdgeqrf.lo \
-	$(am__objects_1) $(am__objects_2) $(am__objects_3) \
-	$(am__objects_4) $(am__objects_5) $(am__objects_6) \
-	$(am__objects_7) $(am__objects_8) $(am__objects_9) \
-	$(am__objects_10) $(am__objects_11) $(am__objects_12) \
-	$(am__objects_13) $(am__objects_14)
+am_libelpa@SUFFIX@_la_OBJECTS = src/elpa_utilities.lo src/elpa1.lo \
+	src/elpa2_utilities.lo src/elpa2.lo src/elpa_qr/qr_utils.lo \
+	src/elpa_qr/elpa_qrkernels.lo src/elpa_qr/elpa_pdlarfb.lo \
+	src/elpa_qr/elpa_pdgeqrf.lo $(am__objects_1) $(am__objects_2) \
+	$(am__objects_3) $(am__objects_4) $(am__objects_5) \
+	$(am__objects_6) $(am__objects_7) $(am__objects_8) \
+	$(am__objects_9) $(am__objects_10) $(am__objects_11) \
+	$(am__objects_12) $(am__objects_13) $(am__objects_14)
 libelpa@SUFFIX@_la_OBJECTS = $(am_libelpa@SUFFIX@_la_OBJECTS)
 PROGRAMS = $(bin_PROGRAMS) $(noinst_PROGRAMS)
 am__elpa1_test_complex@SUFFIX@_SOURCES_DIST = test/test_complex.F90 \
@@ -797,14 +798,14 @@ AM_LDFLAGS = $(SCALAPACK_LDFLAGS)
 # libelpa
 lib_LTLIBRARIES = libelpa@SUFFIX@.la
 libelpa@SUFFIX@_la_LINK = $(FCLINK) $(AM_LDFLAGS) -version-info $(ELPA_SO_VERSION) -lstdc++
-libelpa@SUFFIX@_la_SOURCES = src/elpa1.F90 src/elpa2.F90 \
-	src/elpa_qr/qr_utils.f90 src/elpa_qr/elpa_qrkernels.f90 \
-	src/elpa_qr/elpa_pdlarfb.f90 src/elpa_qr/elpa_pdgeqrf.f90 \
-	$(am__append_1) $(am__append_2) $(am__append_3) \
-	$(am__append_4) $(am__append_5) $(am__append_6) \
-	$(am__append_7) $(am__append_8) $(am__append_9) \
-	$(am__append_10) $(am__append_11) $(am__append_12) \
-	$(am__append_13) $(am__append_14)
+libelpa@SUFFIX@_la_SOURCES = src/elpa_utilities.F90 src/elpa1.F90 \
+	src/elpa2_utilities.F90 src/elpa2.F90 src/elpa_qr/qr_utils.f90 \
+	src/elpa_qr/elpa_qrkernels.f90 src/elpa_qr/elpa_pdlarfb.f90 \
+	src/elpa_qr/elpa_pdgeqrf.f90 $(am__append_1) $(am__append_2) \
+	$(am__append_3) $(am__append_4) $(am__append_5) \
+	$(am__append_6) $(am__append_7) $(am__append_8) \
+	$(am__append_9) $(am__append_10) $(am__append_11) \
+	$(am__append_12) $(am__append_13) $(am__append_14)
 
 #if WITH_AVX_SANDYBRIDGE
 #  libelpa@SUFFIX@_la_SOURCES += src/elpa2_kernels/elpa2_kernels_real_sse-avx_2hv.c \
@@ -984,7 +985,11 @@ src/$(am__dirstamp):
 src/$(DEPDIR)/$(am__dirstamp):
 	@$(MKDIR_P) src/$(DEPDIR)
 	@: > src/$(DEPDIR)/$(am__dirstamp)
+src/elpa_utilities.lo: src/$(am__dirstamp) \
+	src/$(DEPDIR)/$(am__dirstamp)
 src/elpa1.lo: src/$(am__dirstamp) src/$(DEPDIR)/$(am__dirstamp)
+src/elpa2_utilities.lo: src/$(am__dirstamp) \
+	src/$(DEPDIR)/$(am__dirstamp)
 src/elpa2.lo: src/$(am__dirstamp) src/$(DEPDIR)/$(am__dirstamp)
 src/elpa_qr/$(am__dirstamp):
 	@$(MKDIR_P) src/elpa_qr

RELEASE_NOTES

@@ -5,19 +5,20 @@ This file contains the release notes for the ELPA 2015.02.001 version
 What is new?
 -------------
 
-a)
+a) ABI change
+---------------------
 
 Most importantly, the ABI of the ELPA libray changed!
 A rebuild/relink of the user code using the ELPA library is mandatory!
 
-b)
+b) QR-decomposition
+---------------------
 
 The only major change (which results in point a) is in the ELPA-2
 part of the library for real matrices:
 
 the fully blocked QR decomposition has been moved from the development part
-to the release! However, this is still experimental, since there is still
-a bug. For some matrix sizes the results are wrong
+to the release!
 
 It is now possible to use this QR decomposition by either setting an
 environment variable "ELPA_QR_DECOMPOSITION" to "yes", or to call the
@@ -28,19 +29,33 @@ Note, that the environment variable always takes precedence over the setting in
 the API call.
 
 Furthernote, that if neither the environment variable or the API keyword are not
-set, or set to "no" or ".false.", respectively, then no qr decomposition is used
+set, or set to "no" or ".false.", respectively, then no QR-decomposition is used
 (i.e. the previous behaviour is maintained).
 
+The QR-decomposition fails, if the chosen matrix size is not a multiple of the
+blocksize. The library will give a warning message if this happens and it will
+abort.
 
-c)
+c) Debug messages
+----------------------
+
+By setting the environment variable "ELPA_DEBUG_MESSAGES" to "yes", ELPA will now
+print more information if an error occurs.
+
+
+d) Optimization flags
+-----------------------
 
 The configure procedure was adapted to be more consistent. No compiler omptimization
 flags are set automatically anymore, this is up to the user at build time
 
-d)
+e) OpenMP check
+----------------------
 
 The checks for OpenMP in the configure have been improved
 
+
+
 Any incompatibles to previous version?
 ---------------------------------------
 

src/elpa_utilities.F90

+!    This file is part of ELPA.
+!
+!    The ELPA library was originally created by the ELPA consortium,
+!    consisting of the following organizations:
+!
+!    - 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 Naturwissenschaftrn,
+!      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
+!      and
+!    - IBM Deutschland GmbH
+!
+!
+!    More information can be found here:
+!    http://elpa.rzg.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.
+!
+!
+! ELPA1 -- Faster replacements for ScaLAPACK symmetric eigenvalue routines
+!
+! 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".
+
+
+
+! ELPA2 -- 2-stage solver for ELPA
+!
+! 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".
+
+
+#include "config-f90.h"
+
+module ELPA_utilities
+
+
+#ifdef HAVE_ISO_FORTRAN_ENV
+  use iso_fortran_env, only : error_unit
+#endif
+
+  implicit none
+
+  PRIVATE ! By default, all routines contained are private
+
+  public :: debug_messages_via_environment_variable
+#ifndef HAVE_ISO_FORTRAN_ENV
+  integer, parameter :: error_unit = 6
+#endif
+
+
+  !******
+  contains
+
+   function debug_messages_via_environment_variable() result(isSet)
+#ifdef HAVE_DETAILED_TIMINGS
+     use timings
+#endif
+     implicit none
+     logical              :: isSet
+     CHARACTER(len=255)   :: ELPA_DEBUG_MESSAGES
+
+#ifdef HAVE_DETAILED_TIMINGS
+     call timer%start("debug_messages_via_environment_variable")
+#endif
+
+     isSet = .false.
+
+#if defined(HAVE_ENVIRONMENT_CHECKING)
+     call get_environment_variable("ELPA_DEBUG_MESSAGES",ELPA_DEBUG_MESSAGES)
+#endif
+     if (trim(ELPA_DEBUG_MESSAGES) .eq. "yes") then
+       isSet = .true.
+     endif
+     if (trim(ELPA_DEBUG_MESSAGES) .eq. "no") then
+       isSet = .true.
+     endif
+
+#ifdef HAVE_DETAILED_TIMINGS
+     call timer%stop("debug_messages_via_environment_variable")
+#endif
+
+   end function debug_messages_via_environment_variable
+
+!-------------------------------------------------------------------------------
+
+end module ELPA_utilities

src/print_available_elpa2_kernels.F90

 !    This file is part of ELPA.
 !
-!    The ELPA library was originally created by the ELPA consortium, 
+!    The ELPA library was originally created by the ELPA consortium,
 !    consisting of the following organizations:
 !
-!    - Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG), 
+!    - 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 Naturwissenschaftrn, 
-!      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition, 
-!      and  
+!      Schwerpunkt Wissenschaftliches Rechnen ,
+!    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
+!    - Max-Plack-Institut für Mathematik in den Naturwissenschaftrn,
+!      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
+!      and
 !    - IBM Deutschland GmbH
 !
 !
@@ -19,8 +19,8 @@
 !    http://elpa.rzg.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 
+!    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,
@@ -40,7 +40,7 @@
 !
 !
 ! ELPA1 -- Faster replacements for ScaLAPACK symmetric eigenvalue routines
-! 
+!
 ! 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
@@ -49,7 +49,7 @@
 
 
 ! ELPA2 -- 2-stage solver for ELPA
-! 
+!
 ! 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
@@ -61,6 +61,8 @@ program print_available_elpa2_kernels
    use ELPA1
    use ELPA2
 
+   use elpa2_utilities
+
    implicit none
 
    integer :: i

test/test_complex2_choose_kernel_with_api.F90

@@ -79,6 +79,8 @@ program test_complex2
 
    use ELPA1
    use ELPA2
+   use elpa2_utilities
+
 #ifdef WITH_OPENMP
    use test_util
 #endif

test/test_complex2_default_kernel.F90

@@ -79,6 +79,8 @@ program test_complex2
 
    use ELPA1
    use ELPA2
+
+   use elpa2_utilities
 #ifdef WITH_OPENMP
    use test_util
 #endif

test/test_real2_choose_kernel_with_api.F90

@@ -80,6 +80,8 @@ program test_real2
 
    use ELPA1
    use ELPA2
+
+   use elpa2_utilities
 #ifdef WITH_OPENMP
    use test_util
 #endif

test/test_real2_default_kernel.F90

@@ -80,6 +80,8 @@ program test_real2
 
    use ELPA1
    use ELPA2
+   use elpa2_utilities
+
 #ifdef WITH_OPENMP
    use test_util
 #endif

test/test_real2_default_kernel_qr_decomposition.F90

@@ -81,6 +81,8 @@ program test_real2
 
    use ELPA1
    use ELPA2
+   use elpa2_utilities
+
 #ifdef WITH_OPENMP
    use test_util
 #endif
@@ -143,9 +145,9 @@ program test_real2
   success = .true.
   write_to_file = .false.
 
-   nblk = 16
-   na = 4000
-   nev = 1500
+   nblk = 2
+   na   = 4000
+   nev  = 1500
 
    if (COMMAND_ARGUMENT_COUNT() == 3) then
       call GET_COMMAND_ARGUMENT(1, arg1)