Convert ELPA_2013.11 to a branch

Description_of_this_repository

-Welcome to the ELPA library git repository.
-
-
-This central repository houses all versions of the ELPA library. At
-the time of this writing (01/31/2013), the ELPA developers provide three
-separate versions, each as a separate subdirectory available here:
-
-- ELPA_2011.12
-
-  This is a stable version of the entire ELPA library including all
-  necessary files to build it. When using ELPA for production, we
-  recommend using this version, as it has seen a lot of testing and
-  production use. 
-
-  This version should only ever see any updates if there are clear and
-  unambiguous bug-fixes to be made. Each bugfix must be documented in
-  the README file. (At the time of this writing, no known bugs exist.)
-
-- ELPA_2013.02.BETA
-
-  This is a quasi stable version of the enire ELPA library including all
-  necessary files to build it.
-
-  It enhances ELPA_2011.12 by intrinsic kernels for Intel Westmere, 
-  Intel Sandy Bridge, Intel Haswell (through complier -fma flag),
-  AMD Interlagos.
-
-  This version passed serveral extensive tests.  
-
-- ELPA_development_version
-
-  This is the development version of the ELPA library. Any useful new
-  changes should be made here, and a number of changes will be made in
-  the near future. If you want the version presently "branded" as
-  stable, please refer to ELPA_2011.12 at this time. 
-
-
-- ELPA_development_version_GPU
-
-  This is the development version of the ELPA library with GPU support. 
-  Any useful new changes should be made here, and a number of changes will 
-  be made in the near future. If you want the version presently "branded" as
-  stable, please refer to ELPA_2011.12 at this time. 
-
-- tar-archives
-
-  Snappshots of the various versions from above in a tar-ball.
-
-
-ELPA Version numbering scheme:
-
-We have decided to use the format "ELPA_year.month" to designate
-specific stable point releases of the ELPA library. Point releases
-will be made at irregular intervals, solely determined by when we
-consider the development version absolutely stable. At the time of the
-"branching", the new stable version should be an exact copy of the
-development one.
-
-in addition to the directories with the sources for the aforementioned
-versions of ELPA there exist a directory "tar-archives", which contains
-tar-balls with current snapshots of the different versions
-
-

ELPA_2011.12/INSTALL

-How to install ELPA:
-----------------------
-
-ELPA is shipped with a typical "configure" and "make" procedure. It is
-recommended to use this way to install ELPA. If you do not want to install
-ELPA as library, but to include it in your source code, you can find a 
-"Makefile.example" in ./test, to see how this is done. Please distibute then 
-all files of ELPA with your code.
-
-
-The configure installation is best done in four steps
-
-1) run configure: 
-   please point to your blacs/scalapack installation and the
-   linkline with the variables "BLACS_LDFLAGS" and "BLACS_FCFLAGS".
-   "BLACS_LDFLAGS" should then contain the correct linkline for your
-   blacs/scalapack installation and "BLACS_FCFLAGS" the include path
-   and any other flags you need at compile time.
-
-   It is recommended that you use the "rpath functionality" in the linkline,
-   otherwise it will be necessary to update the LD_LIBRARY_PATH environment
-   variable.
- 
-   You can either specify your own builds of lapack/blacs/scalapack
-   or use specialized Vendor packages, e.g. if available you can use 
-   Intel's MKL. If you do not set these variables ELPA will not be
-   build!
-
-   Please set the further optimisation that you would like with the
-   variable "FCFLAGS", "CFLAGS", and "CXXFLAGS", e.g. FCFLAGS="-O3 -xAVX"
-
-   Check the available options with "configure --help". 
-   If available you can e.g. choose especially optimized elpa kernels
-   for your system.
-
-   Set the "prefix" - flag, if you wish another installation location than
-   the default "/usr/local/"
-
-
-2) run "make"
-
-3) run "make check"
-   a simple test of ELPA is done. At the moment the usage of "mpiexec"
-   is required. If this is not possible at your system, you can run the
-   binaries "test_real", "test_real2", "test_complex", and "test_complex2"
-   yourself. At the moment the tests check whether the residual and the
-   orthogonality of the found eigenvectors are lower than a threshold of
-   5e-12. If this test fails, or if you believe the threshold should be
-   even lower, please talk to us.
-
-
-4) run "make install"
-   Note that a pckconfig file for ELPA is produced
-
-How to use ELPA:
------------------
-Using ELPA should be quite simple. It is similiar to ScalaPack but the API
-is different. See the examples in the directory "./test". There is shown how
-to evoke ELPA from a Fortran code.
-
-If you installed ELPA with the build procedure a pk-config file is produced.

ELPA_2011.12/Makefile.am

-ACLOCAL_AMFLAGS = ${ACLOCAL_FLAGS} -I m4
-
-AM_FCFLAGS = @AM_FCFLAGS@ @FC_MODINC@modules @FC_MODOUT@modules 
-
-AM_LDFLAGS = @AM_LDFLAGS@ @BLACS_LDFLAGS@
-
-BLACS_LDFLAGS = @BLACS_LDFLAGS@
-
-# libelpa
-lib_LTLIBRARIES = libelpa.la
-
-libelpa_la_SOURCES = src/elpa1.f90 src/elpa2.f90
-
-if WITH_BGP
-  libelpa_la_SOURCES += src/elpa2_kernels_bg.f90
-else
-  libelpa_la_SOURCES += src/elpa2_kernels.f90
-endif
-libelpa_la_LDFLAGS = -version-info $(ELPA_SO_VERSION)
-
-# install any .mod files in the include/ dir
-elpa_includedir = $(includedir)/elpa
-nobase_elpa_include_HEADERS = $(wildcard modules/*)
-
-# other files to distribute
-filesdir = $(datarootdir)
-files_DATA = \
-	test/read_real.f90 \
-	test/read_real_gen.f90 \
-	test/test_complex2.f90 \
-	test/test_complex.f90 \
-	test/test_complex_gen.f90 \
-	test/test_real2.f90 \
-	test/test_real.f90 \
-	test/test_real_gen.f90
-
-# pkg-config stuff
-pkgconfigdir = $(libdir)/pkgconfig
-pkgconfig_DATA = elpa.pc
-
-# test programs
-#bindir = $(abs_top_builddir)
-bin_PROGRAMS = test_real test_real2 test_complex test_complex2
-
-test_real_SOURCES = test/test_real.f90
-test_real_LDADD = libelpa.la 
-
-test_real2_SOURCES = test/test_real2.f90
-test_real2_LDADD = libelpa.la 
-
-test_complex_SOURCES = test/test_complex.f90
-test_complex_LDADD = libelpa.la
-
-test_complex2_SOURCES = test/test_complex2.f90
-test_complex2_LDADD = libelpa.la
-
-
-check_SCRIPTS = test_real.sh test_real2.sh test_complex.sh test_complex2.sh   
-TESTS = $(check_SCRIPTS)
-
-test_real.sh:
-	echo "mpiexec -n 2 ./test_real > /dev/null 2>&1" > test_real.sh
-	chmod +x test_real.sh	
-
-test_real2.sh:
-	echo "mpiexec -n 2 ./test_real2 > /dev/null 2>&1" > test_real2.sh
-	chmod +x test_real2.sh	
-
-test_complex.sh:
-	echo "mpiexec -n 2 ./test_complex > /dev/null 2>&1" > test_complex.sh
-	chmod +x test_complex.sh	
-
-test_complex2.sh:
-	echo "mpiexec -n 2 ./test_complex2 > /dev/null 2>&1" > test_complex2.sh
-	chmod +x test_complex2.sh	
-
-
-CLEANFILES = test_real.sh test_real2.sh test_complex.sh test_complex2.sh
-
-@FORTRAN_MODULE_DEPS@

ELPA_2011.12/config.h.in

-/* config.h.in.  Generated from configure.ac by autoheader.  */
-
-/* Define to 1 if you have the <dlfcn.h> header file. */
-#undef HAVE_DLFCN_H
-
-/* Define to 1 if you have the <inttypes.h> header file. */
-#undef HAVE_INTTYPES_H
-
-/* Define to 1 if you have the <memory.h> header file. */
-#undef HAVE_MEMORY_H
-
-/* Define to 1 if you have the <stdint.h> header file. */
-#undef HAVE_STDINT_H
-
-/* Define to 1 if you have the <stdlib.h> header file. */
-#undef HAVE_STDLIB_H
-
-/* Define to 1 if you have the <strings.h> header file. */
-#undef HAVE_STRINGS_H
-
-/* Define to 1 if you have the <string.h> header file. */
-#undef HAVE_STRING_H
-
-/* Define to 1 if you have the <sys/stat.h> header file. */
-#undef HAVE_SYS_STAT_H
-
-/* Define to 1 if you have the <sys/types.h> header file. */
-#undef HAVE_SYS_TYPES_H
-
-/* Define to 1 if you have the <unistd.h> header file. */
-#undef HAVE_UNISTD_H
-
-/* Define to the sub-directory in which libtool stores uninstalled libraries.
-   */
-#undef LT_OBJDIR
-
-/* Define to 1 if your C compiler doesn't accept -c and -o together. */
-#undef NO_MINUS_C_MINUS_O
-
-/* Name of package */
-#undef PACKAGE
-
-/* Define to the address where bug reports for this package should be sent. */
-#undef PACKAGE_BUGREPORT
-
-/* Define to the full name of this package. */
-#undef PACKAGE_NAME
-
-/* Define to the full name and version of this package. */
-#undef PACKAGE_STRING
-
-/* Define to the one symbol short name of this package. */
-#undef PACKAGE_TARNAME
-
-/* Define to the home page for this package. */
-#undef PACKAGE_URL
-
-/* Define to the version of this package. */
-#undef PACKAGE_VERSION
-
-/* Define to 1 if you have the ANSI C header files. */
-#undef STDC_HEADERS
-
-/* Version number of package */
-#undef VERSION

ELPA_2011.12/configure.ac

-AC_PREREQ([2.69])
-AC_INIT([elpa],[2011.12.002], elpa-library@rzg.mpg.de)
-AC_CONFIG_SRCDIR([src/elpa1.f90])
-
-AM_INIT_AUTOMAKE([foreign -Wall subdir-objects])
-AC_CONFIG_MACRO_DIR([m4])
-AC_CONFIG_HEADERS([config.h])
-AM_SILENT_RULES([yes])
-
-AX_CHECK_GNU_MAKE()
-if test x$_cv_gnu_make_command = x ; then
-        AC_MSG_ERROR([Need GNU Make])
-fi
-
-AC_CHECK_PROG(CPP_FOUND,cpp,yes,no)
-if test "x${CPP_FOUND}" = xno; then
-AC_MSG_ERROR([no cpp found])
-fi
-
-# gnu-make fortran module dependencies
-m4_include([fdep/fortran_dependencies.m4])
-FDEP_F90_GNU_MAKE_DEPS
-
-AC_PROG_INSTALL
-#AC_PROG_CPP
-AM_PROG_CC_C_O
-AM_PROG_AR
-
-AC_LANG(Fortran)
-
-m4_include([m4/ax_prog_fc_mpi.m4])
-dnl check whether an mpi compiler is available;
-dnl if not abort since it is mandatory
-AX_PROG_FC_MPI([],[have_mpi=yes],[have_mpi=no
-		 if test "x${have_mpi}" = xno; then
-  		  AC_MSG_ERROR([no mpi found])
-		  fi])
-
-
-AC_SUBST([ELPA_LIB_VERSION], [2011.12.002])
-# this is the version of the API, should be changed in the major revision
-# if and only if the actual API changes
-AC_SUBST([ELPA_SO_VERSION], [0:0:0])
-
-AC_FC_FREEFORM
-AC_FC_MODULE_FLAG
-AC_FC_MODULE_OUTPUT_FLAG
-
-
-dnl check different elpa
-AC_MSG_CHECKING([whether the BG/P kernel was specified])
-  AC_ARG_WITH([BGP-kernel],
-   [AS_HELP_STRING([--with-BGP-kernel],
-     [use kernel tuned for Bluegene/P])],
-    [with_bgp_kernel=yes],[with_bgp_kernel=no])
-AM_CONDITIONAL([WITH_BGP],[test x"$with_bgp_kernel" = x"yes"])
-AC_MSG_RESULT([${with_bgp_kernel}])
-
-
-
-
-save_FCFLAGS=$FCFLAGS
-save_LDFLAGS=$LDFLAGS
-
-FCFLAGS="$FCFLAGS $BLACS_FCFLAGS"
-LDFLAGS="$LDFLAGS $BLACS_LDFLAGS"
-dnl check whether one can link with specified MKL (desired method)
-AC_MSG_CHECKING([whether we can compile a Fortran program using MKL])
-
-
-AC_COMPILE_IFELSE([AC_LANG_SOURCE([     
-  program test_mkl
-    use mkl_service	
-    character*198 :: string
-    call mkl_get_version_string(string)
-    write(*,'(a)') string
-  end program
-])],
-  [can_compile_with_mkl=yes],
-  [can_compile_with_mkl=no]
-)
-AC_MSG_RESULT([${can_compile_with_mkl}])
-
-if test x"$can_compile_with_mkl" = x"yes" ; then
-  AC_MSG_CHECKING([whether we can link a Fortran program with MKL])
-  AC_LINK_IFELSE([AC_LANG_SOURCE([     
-    program test_mkl
-      use mkl_service	
-      character*198 :: string
-      call mkl_get_version_string(string)
-      write(*,'(a)') string
-    end program
-  ])],
-    [can_link_with_mkl=yes],
-    [can_link_with_mkl=no]
-  )
-  AC_MSG_RESULT([${can_link_with_mkl}])
-fi
-
-dnl if not mkl, check all the necessary individually
-if test "x${can_link_with_mkl}" = "xyes" ; then
-  WITH_MKL=1
-else
-
-  dnl first check blas
-  AC_SEARCH_LIBS([dgemm],[blas],[can_link_with_blas=yes],[can_link_with_blas=no])
-  AC_MSG_CHECKING([whether we can link a program with a blas lib])
-  AC_MSG_RESULT([${can_link_with_blas}])
-
-  if test "x${can_link_with_blas}" = "xno" ; then
-    AC_MSG_ERROR([could not link with blas: specify path]) 
-  fi	
-  dnl now lapack
-  AC_SEARCH_LIBS([dlarrv],[lapack],[can_link_with_lapack=yes],[can_link_with_lapack=no])
-  AC_MSG_CHECKING([whether we can link a program with a lapack lib])
-  AC_MSG_RESULT([${can_link_with_lapack}])
-
-  if test "x${can_link_with_lapack}" = "xno" ; then
-    AC_MSG_ERROR([could not link with lapack: specify path]) 
-  fi
-	
-  dnl now blacs
-  AC_SEARCH_LIBS([blacs_gridinit],[mpiblacs],[can_link_with_blacs=yes],[can_link_with_blacs=no])
-  AC_MSG_CHECKING([whether we can link a program with a blacs lib])
-  AC_MSG_RESULT([${can_link_with_blacs}])
-
-  if test "x${can_link_with_blacs}" = "xno" ; then
-    AC_MSG_ERROR([could not link with blacs: specify path]) 
-  fi
-	
-  dnl now scalapack
-  AC_SEARCH_LIBS([pdtran],[mpiscalapack],[can_link_with_scalapack=yes],[can_link_with_scalapack=no])
-  AC_MSG_CHECKING([whether we can link a program with a scalapack lib])
-  AC_MSG_RESULT([${can_link_with_scalapack}])
-
-  if test "x${can_link_with_scalapack}" = "xno" ; then
-    AC_MSG_ERROR([could not link with scalapack: specify path]) 
-  fi
-
-  dnl check whether we can link alltogehter
-
-  AC_MSG_CHECKING([whether we can link a Fortran program with all blacs/scalapack])
-  AC_LINK_IFELSE([AC_LANG_SOURCE([     
-    program dgemm_test
-
-      integer , parameter:: n_cols=3,l_cols=3
-      real :: hvm(n_cols,l_cols)
-
-      call dgemm('T','N',n_cols,n_cols,l_cols,1.,hvm,ubound(hvm,1), &
-      hvm(1,n_cols+1),ubound(hvm,1),0.,hvm,ubound(hvm,1))
-
-
-     end program dgemm_test
-     ])],
-     [can_link_with_blacs_scalapack=yes],
-     [can_link_with_blacs_scalapack=no]
-   )
-   AC_MSG_RESULT([${can_link_with_blacs_scalapack}])
-
-   if test "x${can_link_with_blacs_scalapack}" = "xyes" ; then
-     WITH_BLACS=1
-   else
-   AC_MSG_ERROR([We can neither link with MKL or another Scalpack. Please specify BLACS_LDFLAGS and BLACS_FCFLAGS!])
-   fi
-fi
-
-dnl important: reset them again!
-FCFLAGS=$save_FCFLAGS
-LDFLAGS=$save_LDFLAGS
-
-
-
-LT_INIT
-
-AC_SUBST([AM_FCFLAGS])
-AC_SUBST([AM_LDFLAGS])
-AC_SUBST([WITH_MKL])
-AC_SUBST([WITH_BLACS])
-AC_SUBST([CFLAGS])
-AC_SUBST([FCFLAGS])
-AC_SUBST([CPPFLAGS])
-AC_SUBST([LDFLAGS])
-AC_SUBST([RANLIB])
-AC_SUBST([FC_MODINC])
-AC_SUBST([FC_MODOUT])
-AC_SUBST(BLACS_LDFLAGS)
-AC_SUBST(BLACS_FCFLAGS)
-
-mkdir modules
-
-AC_CONFIG_FILES([
-  Makefile
-  elpa.pc:elpa.pc.in
-])
-
-AC_OUTPUT

ELPA_2011.12/fdep

-../fdep
\ No newline at end of file

ELPA_2011.12/src/elpa2_kernels.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.
-!
-!
-! --------------------------------------------------------------------------------------------------
-!
-! This file contains the compute intensive kernels for the Householder transformations.
-! It should be compiled with the highest possible optimization level.
-!
-! On Intel use -O3 -xSSE4.2 (or the SSE level fitting to your CPU)
-! 
-! 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".
-!
-! --------------------------------------------------------------------------------------------------
-
-subroutine double_hh_trafo(q, hh, nb, nq, ldq, ldh)
-
-   implicit none
-
-   integer, intent(in) :: nb, nq, ldq, ldh
-   real*8, intent(inout) :: q(ldq,*)
-   real*8, intent(in) :: hh(ldh,*)
-
-   real*8 s
-   integer i
-
-   ! Safety only:
-
-   if(mod(ldq,4) /= 0) STOP 'double_hh_trafo: ldq not divisible by 4!'
-
-   ! 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
-
-   ! Always a multiple of 4 Q-rows is transformed, even if nq is smaller
-
-   do i=1,nq-8,12
-      call hh_trafo_kernel_12(q(i,1),hh, nb, ldq, ldh, s)
-   enddo
-
-   ! i > nq-8 now, i.e. at most 8 rows remain
-
-   if(nq-i+1 > 4) then
-      call hh_trafo_kernel_8(q(i,1),hh, nb, ldq, ldh, s)
-   else if(nq-i+1 > 0) then
-      call hh_trafo_kernel_4(q(i,1),hh, nb, ldq, ldh, s)
-   endif
-
-end
-
-! --------------------------------------------------------------------------------------------------
-! The following kernels perform the Householder transformation on Q for 12/8/4 rows.
-! Please note that Q is declared complex*16 here.
-! This is a hint for compilers that packed arithmetic can be used for Q
-! (relevant for Intel SSE and BlueGene double hummer CPUs).
-! --------------------------------------------------------------------------------------------------
-
-subroutine hh_trafo_kernel_12(q, hh, nb, ldq, ldh, s)
-
-   implicit none
-
-   integer, intent(in) :: nb, ldq, ldh
-   complex*16, intent(inout) :: q(ldq/2,*)
-   real*8, intent(in) :: hh(ldh,*), s
-
-   complex*16 x1, x2, x3, x4, x5, x6, y1, y2, y3, y4, y5, y6
-   real*8 h1, h2, tau1, tau2
-   integer i
-
-
-   x1 = q(1,2)
-   x2 = q(2,2)
-   x3 = q(3,2)
-   x4 = q(4,2)
-   x5 = q(5,2)
-   x6 = q(6,2)
-
-   y1 = q(1,1) + q(1,2)*hh(2,2)
-   y2 = q(2,1) + q(2,2)*hh(2,2)
-   y3 = q(3,1) + q(3,2)*hh(2,2)
-   y4 = q(4,1) + q(4,2)*hh(2,2)
-   y5 = q(5,1) + q(5,2)*hh(2,2)
-   y6 = q(6,1) + q(6,2)*hh(2,2)
-
-!DEC$ VECTOR ALIGNED
-   do i=3,nb
-      h1 = hh(i-1,1)
-      h2 = hh(i,2)
-      x1 = x1 + q(1,i)*h1
-      y1 = y1 + q(1,i)*h2
-      x2 = x2 + q(2,i)*h1
-      y2 = y2 + q(2,i)*h2
-      x3 = x3 + q(3,i)*h1
-      y3 = y3 + q(3,i)*h2
-      x4 = x4 + q(4,i)*h1
-      y4 = y4 + q(4,i)*h2
-      x5 = x5 + q(5,i)*h1
-      y5 = y5 + q(5,i)*h2
-      x6 = x6 + q(6,i)