Applications
We provide a wide range of centrally installed commercial and open source applications and libraries to our cluster users.
Contents
Central installations
Applications and libraries that are used by many people from different departments of ETH (e.g. MATLAB, Comsol, Ansys, etc.) or that are explicitly requested by a shareholder group will be installed centrally in /cluster/apps. Providing a software stack of centrally installed applications and libraries gives the users certain advantages.
- Applications and libraries are visible and accessible to all users via environment modules.
- They are maintained by the ID SIS HPC group (or in a few cases also by users).
- Commercial licenses are provided by the central license administration of ETH (IT shop).
If an application or library is only used by a few people, then we recommend the users to install it locally in their home directory. In case you need help to install an application or library locally, please do not hesitate to contact cluster support.
Application life-cycle management
In order to deal with software stack of more than 200 applications and libraries (and in many cases multiple versions per application), we use a set of environment module categories for applications life-cycle management. Versions that are installed at any time will never be deleted (unless the cluster as a whole is end-of-life). When they get obsolete, they will be moved to the legacy module category, but they will still remain available. This way users can reproduce calculations that they have done years ago (if the software itself allows to exactly reproduce results, when the same version is used at a later stage). More information about our application life-cycle management can be found on the corresponding wiki page.
Commercial/Open source
Please find below a selection of centrally installed applications that covers a wide range of research fields
| Bioinformatics |
|---|
| Bioconductor, BLAST, Bowtie, CLC Genomics Server, FSL, RAxML, TopHat |
| Computation fluid dynamics |
| Ansys CFX, Ansys FLUENT, OpenFOAM, STAR-CD, STAR-CCM+ |
| Finite element methods |
| Ansys, Abaqus, Deal.II, FENiCS, FreeFem++, MSC Marc |
| Multi-physics phenomena |
| Ansoft Maxwell, COMSOL multiphysics, Trilinos |
| Quantum chemistry and molecular dynamics |
| ADF, CP2K, Gaussian, NWChem, Orca, QChem, Quantum Espresso, Turbomole |
| Symbolic, numberical and statistical mathematics |
| Gurobi, Maple, Mathematica, MATLAB, R, Stata |
| Visualization |
| Ffmpeg, ParaView, VisIT, VTK |
For a complete list of applications and libraries available on our HPC cluster, you can have a look at our application tables:
Development
We also provide a range of programs or libraries for the development of software, in order to allow users to write their own codes and to run and profile them on the cluster.
| Compiler |
|---|
| GCC, Intel, LLVM, PGI |
| Scientific libraries |
| ACML, BOOST, Deal.II, Eigen, FFTW, GMP, GSL, HDF5, MKL, MPFR, NetCDF, NumPy, OpenBLAS, PETSc, SciPy |
| MPI libraries |
| Open MPI, MVAPICH2 |
| Build systems |
| GNU Autotools, CMake, QMake, Make, SCons |
| Version control |
| SVN, Git, Mercurial, CVS |
