Warp on Hypnos (HZDR)

warp.hypnos.profile

# Modules #####################################################################
#

if [ -f /etc/profile.modules ]
then
        . /etc/profile.modules
        module purge
#       export MODULES_NO_OUTPUT=1

        # Core Dependencies
        module load gcc/4.9.2
        module load cmake/3.3.0
        module load boost/1.56.0
        module load python/2.7.10
        module load openmpi/1.8.4

        # Parallel HDF5
        module load hdf5-parallel/1.8.14

        # ADIOS
        #module load libmxml/2.8 adios/1.9.0
        #export MXML_ROOT=$HOME/lib/mxml
        #export ADIOS_ROOT=$HOME/lib/adios-1.9.0
        #export LD_LIBRARY_PATH=$ADIOS_ROOT/lib:$MXML_ROOT/lib:$LD_LIBRARY_PATH
        #export PATH=$ADIOS_ROOT/bin:$PATH

        # Debug Tools
        #module load valgrind/3.8.1
        #module load vampirtrace/5.14.4-GPU

        # Python venv
        source $HOME/python-venv/warp/bin/activate
        which pip

#       unset MODULES_NO_OUTPUT
fi

# Environment #################################################################
#
alias getk20='qsub -I -q k20 -lwalltime=03:00:00 -lnodes=1:ppn=8'
alias getlaser='qsub -I -q laser -lwalltime=03:00:00 -lnodes=1:ppn=64'

# Development #################################################################
#
function make
{
  real_make=`which make`
  $real_make $* 2>&1 | $HOME/grcat/usr/bin/grcat conf.gcc
}

# Initial Install #############################################################
#   mkdir -p $HOME/python-venv
#   cd $HOME/python-venv
#   virtualenv warp
#
#   # re-login to source venv
#
#   pip install --upgrade pip
#   pip install --upgrade wheel
#   pip install --upgrade numpy
#   pip install Cython
#
#   pip install six
#   pip install matplotlib
#     # might need an backend change (to `Agg`) in
#     #   $HOME/python-venv/warp/lib/python2.7/site-packages/matplotlib/mpl-data/matplotlibrc
#   pip install mpld3
#   pip install scipy
#
#   #pip install mpi4py
# build mpi4py (1.3.1; 2.0.0 in pickle snd/rcv broken?) from source (bitbucket: mpi4py/mpi4py)
#   python setup.py install
#
#   pip install "ipython[all]"
#     # create IPython profile for cluster:
#     # ipython profile create --parallel --profile=<warp|mpi>
#     # edit files: $IPYTHONDIR/profile_rhea/ip*_config.py
#     #  as in http://ipython.org/ipython-doc/2/parallel/parallel_process.htm
#
# build Forthon (0.8.19) from source
#   python setup.py install
#
# build h5py (2.6.0) from source
#   export CC=mpicc
#   python setup.py configure --mpi
#   python setup.py install
#   mpirun -n 1 python -c "import h5py; print(h5py.get_config().mpi)"
#
# build warp from source
#   # adjust
#   cd pywarp90
#   # setup.local.py: (should match `mpif90 --show`)
#   if parallel:
#       library_dirs += ['/opt/pkg/mpi/openmpi/1.8.4/gnu/4.9.2/64/opt/lib']
#       libraries += fcompiler.libs + ['mpi_usempif08', 'mpi_usempi_ignore_tkr', 'mpi_mpifh', 'mpi', 'pthread']
#       extra_link_args += ['-Wl,-rpath', '-Wl,/opt/pkg/mpi/openmpi/1.8.4/gnu/4.9.2/64/opt/lib', '-Wl,--enable-new-dtags', '-pthread']
#   # Makefile.Forthon.pympi:
#   FARGS = --farg "-DMPIPARALLEL -I$$MPI_ROOT/include -L$$MPI_ROOT/lib -pthread"
#   FCOMP = -F gfortran --fcompexec mpif90
#    
#   # build & install
#   make -f Makefile.Forthon install
#   make -f Makefile.Forthon.pympi install
#