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Commit ba85291e authored by Andreas Marek's avatar Andreas Marek
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Merge branch 'master' into ELPA_GPU

parents 070e1c1c 4bc629fd
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INSTALL
View file @ ba85291e
......@@ -53,14 +53,25 @@ The configure installation is best done in four steps
library. If this is successful, you do not have to specify anything
in this regard. However, this will fail, if you do not use Netlib
Blacs/Scalapack but vendor specific implementations (e.g. Intel's MKL
library or the implementation of Cray).
library or the implementation of Cray and so forth...).
Please then point to your Blacs/Scalapack installation and the
In this case, please point to your Blacs/Scalapack installation and the
link-line with the variables "SCALAPACK_LDFLAGS" and "SCALAPACK_FCFLAGS".
"SCALAPACK_LDFLAGS" should contain the correct link-line for your
Blacs/Scalapack installation and "SCALAPACK_FCFLAGS" the include path
and any other flags you need at compile time.
For example with Intel's MKL 11.2 library one might have to set
SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 \
-lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 \
-lpthread -lm -Wl,-rpath,$MKL_HOME/lib/intel64"
and
SCALAPACK_FCFLAGS="-I$MKLROOT/include/intel64/lp64"
Note, that the actual MKL linkline depends on the installed MKL version.
If your libraries are in non-standard locations, you can think about
specifying a runtime library search path ("rpath") in the link-line,
otherwise it will be necessary to update the LD_LIBRARY_PATH environment
......@@ -72,8 +83,9 @@ The configure installation is best done in four steps
1.3 Setting optimizations
Please set the optimisation that you prefer with the
variable "FCFLAGS", "CFLAGS", and "CXXFLAGS", e.g. FCFLAGS="-O3 -xAVX",
variable "FCFLAGS", "CFLAGS", and "CXXFLAGS",
please see "./src/elpa2_kernels/README_elpa2_kernels.txt".
Note that _NO_ compiler optimization flags are set automatically. It
......@@ -84,12 +96,20 @@ The configure installation is best done in four steps
Note that it is mandatory to set optimization flags for C, C++, and Fortran
since ELPA uses source files and compile steps from all these languages.
Also note that building of the SSE and AVX kernels, requires
compilation with the GNU C Compiler (gcc). It is advised to
set also CFLAGS="-march=native" CXXFLAGS="-march=native",
since otherwise the GNU compiler does not support AVX, even
if the hardware does. If you already included "-mAVX" in the
flags, you can skip "-march=native".
Setting the optimization flags for the AVX kernels can be a hassle. If AVX
kernels are build for your system, you can set the configure option
"--with-avx-optimizations=yes". This will automatically set a few compiler
optimization flags which turned out to be beneficial for AVX support.
However, it might be that on your system/compiler version etc. other flags
are the better choice. AND this thus _not_ set the above mentioned flags,
are the better choice. AND this does _not_ set the above mentioned flags,
which you should still set by hand:
./configure CFLAGS="-O2" CXXFLAGS="-O2" FCFLAGS="-O2"
......@@ -103,7 +123,7 @@ The configure installation is best done in four steps
1.5 Hybrid OpenMP support
If you want to use the hybrid MPI/OpenMP version of ELPA please specify
"--with-openmp". Note that the ELPA library will then contain a "_mt" in
"--enable-openmp". Note that the ELPA library will then contain a "_mt" in
it's name to indicate multi threading support.
1.6 Other
......
configure.ac
View file @ ba85291e
......@@ -52,6 +52,20 @@ fi
m4_include([fdep/fortran_dependencies.m4])
FDEP_F90_GNU_MAKE_DEPS
###
AC_MSG_CHECKING(whether --enable-openmp is specified)
AC_ARG_ENABLE([openmp],
AS_HELP_STRING([--enable-openmp],
[use OpenMP threading, default no.]),
[],
[enable_openmp=no])
AC_MSG_RESULT([${enable_openmp}])
AM_CONDITIONAL([WITH_OPENMP],[test x"$enable_openmp" = x"yes"])
if test x"${enable_openmp}" = x"yes"; then
AC_DEFINE([WITH_OPENMP], [1], [use OpenMP threading])
fi
dnl check whether mpi compilers are available;
dnl if not abort since it is mandatory
......@@ -59,12 +73,15 @@ dnl if not abort since it is mandatory
AC_LANG([C])
m4_include([m4/ax_prog_cc_mpi.m4])
AX_PROG_CC_MPI([true],[],[AC_MSG_ERROR([no MPI C wrapper found])])
AC_PROG_INSTALL
: ${CFLAGS=""}
: ${CXXFLAGS=""}
#: ${FCLAGS="-O2"}
if test x"${enable_openmp}" = x"yes"; then
AX_ELPA_OPENMP
if test "$ac_cv_prog_cc_openmp" = unsupported; then
AC_MSG_ERROR([Could not compile a C program with OpenMP, adjust CFLAGS])
fi
CFLAGS="$OPENMP_CFLAGS $CFLAGS"
fi
AC_PROG_INSTALL
AM_PROG_AR
AM_PROG_AS
......@@ -74,11 +91,27 @@ AC_LANG([Fortran])
m4_include([m4/ax_prog_fc_mpi.m4])
AX_PROG_FC_MPI([],[],[AC_MSG_ERROR([no MPI Fortran wrapper found])])
if test x"${enable_openmp}" = x"yes"; then
AX_ELPA_OPENMP
if test "$ac_cv_prog_fc_openmp" = unsupported; then
AC_MSG_ERROR([Could not compile a Fortran program with OpenMP, adjust FCFLAGS])
fi
FCFLAGS="$OPENMP_FCFLAGS $FCFLAGS"
fi
# C++
AC_LANG([C++])
AC_PROG_CXX
if test x"${enable_openmp}" = x"yes"; then
AX_ELPA_OPENMP
if test "$ac_cv_prog_cxx_openmp" = unsupported; then
AC_MSG_ERROR([Could not compile a C++ program with OpenMP, adjust CXXFLAGS])
fi
CXXFLAGS="$OPENMP_CXXFLAGS $CXXFLAGS"
fi
......@@ -249,33 +282,6 @@ AC_FC_MODULE_FLAG
AC_FC_MODULE_OUTPUT_FLAG
AC_FC_LIBRARY_LDFLAGS
AC_MSG_CHECKING(whether OpenMP usage is specified)
AC_ARG_WITH([openmp],
AS_HELP_STRING([--with-openmp],
[use OpenMP threading, default no.]),
[with_openmp=yes],
[with_openmp=no])
AC_MSG_RESULT([${with_openmp}])
if test x"${enable_openmp}" = x"yes"; then
with_openmp=yes
AC_MSG_CHECKING(whether --enable-openmp is specified)
AC_MSG_RESULT([${enable_openmp}])
fi
AM_CONDITIONAL([WITH_OPENMP],[test x"$with_openmp" = x"yes"])
if test x"${with_openmp}" = x"yes"; then
AC_DEFINE([WITH_OPENMP], [1], [use OpenMP threading])
AX_ELPA_OPENMP
if test "$ac_cv_prog_fc_openmp" = unsupported; then
AC_MSG_ERROR([Could not compile a program with OpenMP, adjust FCFLAGS])
fi
# Append to flags as this influences which
# kind of MPI library has to be used (thread-safe or not)
FCFLAGS="$OPENMP_FCFLAGS $FCFLAGS"
LDFLAGS="$OPENMP_FCFLAGS $LDFLAGS"
fi
save_FCFLAGS=$FCFLAGS
save_LDFLAGS=$LDFLAGS
......@@ -824,7 +830,7 @@ mkdir modules
# into "postdeps_FC" and causes linking errors later on.
postdeps_FC=$(echo $postdeps_FC | sed 's/-l //g')
if test x"${with_openmp}" = x"yes"; then
if test x"${enable_openmp}" = x"yes"; then
SUFFIX="_openmp"
else
SUFFIX=""
......
m4/ax_elpa_openmp.m4
View file @ ba85291e
......@@ -32,12 +32,12 @@ m4_copy([_AX_ELPA_LANG_OPENMP(C)], [_AX_ELPA_LANG_OPENMP(C++)])
# ---------------------------
m4_define([_AX_ELPA_LANG_OPENMP(Fortran 77)],
[
program test_openmp
use omp_lib
implicit none
!$ integer :: foobar
foobar = omp_get_num_threads()
end program
program test_openmp
use omp_lib
implicit none
!$ integer :: foobar
foobar = omp_get_num_threads()
end program
])
# _AX_ELPA_LANG_OPENMP(Fortran)
......@@ -63,7 +63,7 @@ AC_DEFUN([AX_ELPA_OPENMP],
if test "$enable_openmp" != no; then
AC_CACHE_CHECK([for _AC_LANG_ABBREV option to support OpenMP],
[ac_cv_prog_[]_AC_LANG_ABBREV[]_openmp],
[AC_LINK_IFELSE([_AX_ELPA_LANG_OPENMP],
[AC_LINK_IFELSE([AC_LANG_SOURCE([_AX_ELPA_LANG_OPENMP])],
[ac_cv_prog_[]_AC_LANG_ABBREV[]_openmp='none needed'],
[ac_cv_prog_[]_AC_LANG_ABBREV[]_openmp='unsupported'
dnl Try these flags:
......@@ -81,7 +81,7 @@ AC_DEFUN([AX_ELPA_OPENMP],
for ac_option in -openmp -fopenmp -xopenmp -mp -omp -qsmp=omp; do
ac_save_[]_AC_LANG_PREFIX[]FLAGS=$[]_AC_LANG_PREFIX[]FLAGS
_AC_LANG_PREFIX[]FLAGS="$[]_AC_LANG_PREFIX[]FLAGS $ac_option"
AC_LINK_IFELSE([_AX_ELPA_LANG_OPENMP],
AC_LINK_IFELSE([AC_LANG_SOURCE([_AX_ELPA_LANG_OPENMP])],
[ac_cv_prog_[]_AC_LANG_ABBREV[]_openmp=$ac_option])
_AC_LANG_PREFIX[]FLAGS=$ac_save_[]_AC_LANG_PREFIX[]FLAGS
if test "$ac_cv_prog_[]_AC_LANG_ABBREV[]_openmp" != unsupported; then
......
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