Commit 9432d20e authored by Daniel Wortmann's avatar Daniel Wortmann

Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

parents d03bd219 ca12bab0
......@@ -407,7 +407,7 @@ CONTAINS
ELSE
bandf= 1
ENDIF
IF (ABS(AIMAG(matel(bandf,band2,n)))>1.e-10) THEN
IF (ABS(AIMAG(matel(bandf,band2,n)))>1.e-8) THEN
PRINT *,bandf,band2,n,AIMAG(matel(bandf,band2,n))
CALL judft_error('Stop in ssomatel: diagonal matrix element not real')
ENDIF
......
......@@ -6,8 +6,10 @@ then
curl -LO "http://elpa.mpcdf.mpg.de/html/Releases/${elpa_version}/elpa-${elpa_version}.tar.gz"
tar xzf elpa-${elpa_version}.tar.gz
cd elpa-${elpa_version}
#configure
./configure --enable-c-tests=no --disable-doxygen-doc --enable-shared=no --disable-mpi-module --disable-legacy --enable-openmp --prefix=$PWD/INSTALL_DIR
#configue
./configure --enable-c-tests=no --disable-doxygen-doc --enable-shared=no --disable-mpi-module --enable-openmp --prefix=$PWD/INSTALL_DIR \
--enable-option-checking=fatal SCALAPACK_LDFLAGS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread "\
SCALAPACK_FCFLAGS="-I$MKL_HOME/include/intel64/lp64"
#Compile&test (This will take a while)
make
#Do make install
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment