Laboratory for Scientific Computing

LSC Computing

Available software

The group's computers all run Ubuntu Linux (version 20.04 - Focal). This is a long-term support (LTS) release of Ubuntu, with support until April 2025.

We use only LTS releases, and upgrade all LSC systems whenever a new LTS release occurs. The next upgrade, to Ubuntu 24.04, is scheduled for Summer 2024.

Software versions

For some scientific software, we may need more up-to-date versions than are installed by default within Ubuntu Bionic. Below we list the default versions available, as well as any extra versions compiled especially for the CSC network. More up-to-date versions are found within /lsc/opt.

PackageDescriptionDefault versionOther version(s)Directory
gccC/C++/Fortran compiler9.4.010.2/lsc/opt/gcc-11
CUDANVIDIA CUDA compiler and toolkit11.4/lsc/opt/cuda-11.4
Boost librariesC++ helper libraries1.75/lsc/opt/modules/boost-1.75.0
gdbC/C++/Fortran debugger9.2.0
clangC/C++ compiler10.0
OpenMPIMPI implementation4.0.3
valgrindApplication Profiler3.133.19/lsc/opt/valgrind-3.19.0
HDF librariesHDF libraries1.10.7/lsc/opt/modules/hdf5-1.10.7
DoxygenCode documentation tool1.8.17/lsc/opt/doxygen-1.8.17
VisItVisualisation software3.2.2 (*)/lsc/opt/visit
ParaViewVisualisation software5.9.0/lsc/opt/Paraview-5.9
RStatistical programming environment
(CRAN packages)
Not installed
TexLiveText publishing packages20192022/lsc/opt/texlive/2022/bin
gnuplotBasic plotting tool5.2.8
emacsText editor26.3
armadilloC++ linear algebra library9.800.4
CMakeCompilation tool3.16.3
PythonPython interpreter
NumpyLarge array support for PythonSee below
mpi4pyMPI support for PythonSee below
scipyScientific tools for PythonSee below
sixPython 2/3 compatibility layerSee below
scikit-learnMachine Learning in PythonSee below
TheanoEfficient multi-D array expressions in PythonSee below
FenicsFinite element solver with Python and C++ bindings2018.1.0/lsc/opt/modules/dolfin-2018.1.0

(*) VisIt 3.2.2 can be used as a client to connect to CSD3, using the built-in Host Profile.

Software installed in /lsc/opt/modules/ is compiled against gcc-9.2 which is the default compiler on Ubuntu Focal.

In order to use any non-standard-versions of these packages, you need to add the appropriate directory to your PATH. For example, to use the latest version of gcc:

export PATH=/lsc/opt/gcc-11.2/bin/:$PATH

You may wish to add the preceding command to your ~/.bashrc to make it available for all new terminals.

In order to import the later versions of Python packages listed above:

export PYTHONPATH=/lsc/opt/modules/lib/python3.8/site-packages/:$PYTHONPATH

or

export PYTHONPATH=/lsc/opt/modules/gcc-7.3.0/lib/lib/python3.6/site-packages/:$PYTHONPATH

It may be possible to persuade a sysadmin to install other packages or later versions of those already installed. This is usually easier if the particular software is needed by many members of the group.

LSC-AMR

Under the directory /lsc/opt/modules/ there is a complete set of libraries as required to compile and run the group's LSC_AMR code, when compiling using the default gcc, with C++11 support (-std=c++11).