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Installation instructions for the AMD Opterons at the LRZ

Login node As the PGI compiler fails to compile the toolkit I use the Intel compiler. Boost, however, is only preinstalled for the gcc compiler so an Intel compiled version of boost for different machine types is necessary. The LRZ offers a prepackaged version of ACML (they are a little unclear for how long they will continue to do so). It can be used via module load acml and --with-blas="$ACML_SHLIB" instead of preparing your own ACML installation. A working version is the module ACML/4.4.0_mp. The same applies to ARPACK which is necessary for iDMRG and itools. It can be loaded via module load arpack and included in ./configure via --with-arpack="$ARPACK_LIB".

  • Compiler
> module switch fortran fortran/intel/11.1
> module switch ccomp ccomp/intel/11.1
  • Boost
> ./  --prefix=$HOME --with-libraries=program_options --with-toolset=intel-linux
> ./bjam
The installation via ./bjam install ... didn't work for me so I copied the libs to $HOME/lib/$(uname -m) by hand.
  • ACML
I used ACML 4.3.0 from AMD and linked against the multihreaded version.
> module unload mkl
> module load ACML/4.4.0_mp
remember to use --with-lapack="$ACML_SHLIB" for the configuration.
> module load arpack
  • MPToolkit
> export CC=icc
> export CXX=icpc
> export F77=ifort
> export CXXFLAGS="-DNDEBUG -DINTEL_COMPILER -O3 -openmp -align -scalar_rep -opt-prefetch"
If you provide your own libraries run configure with:
> ../../configure --with-blas="-L$HOME/numerik/acml4.3.0/ifort64_mp/lib -lacml_mp -lacml_mv" --bindir=$HOME/bin/$(uname -m) --with-boost=$HOME/include --with-boost-program-options="-L$HOME/lib/$(uname -m) -lboost_program_options"
If you want to use the LRZ libraries, run:
> ../../configure --with-blas="$ACML_SHLIB" --bindir=$HOME/bin/ --with-boost=$HOME/include --with-boost-program-options="-L$HOME/lib/ -lboost_program_options" --with-lapack="$ACML_SHLIB"
Note: This assumes the boost program_options to be in ~/lib/. Change this if you chose a different location.
Now you can finally start the compilation process:
> make
> make install
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Page last modified on December 12, 2012, at 10:15 AM