If you are a new user to the CHPC, please watch these videos:

• Setting up a cluster password and logging in for the first time
• The CHPC's service nodes and using the module system
• Test running in an interactive PBS session
• Running an application in batch mode under PBS

Tips & tricks for common tasks. Please read this. The information is based on hard won experience.

As of May 2025, 41 compute nodes have had more memory added, cannibalizing memory modules from nodes that have failed permanently. These 24-core nodes now have 256 GB of RAM each. You can access these nodes by including the directive mem=250gb in your resource request line. These nodes work with the usual queues such as smp, normal or large.

#PBS -l select=1:ncpus=24:mpiprocs=24:mem=250gb 

Only use these nodes if you need more than 128 GB of RAM, but less than the 1TB available on the “fat nodes”.

As of December 2025, there is no license for the Intel Parallel-studio compilers. However, all is not lost. The “classic” compilers and MPI are installed in the directory:

/home/apps/chpc/compmech/compilers/intel_2021.3/oneapi

The most recent Lengau-compatible version of the OneAPI suite is installed in:

/home/apps/chpc/compmech/compilers/intel/oneapi

To use the “classic” suite, use the following settings:

. /home/apps/chpc/compmech/compilers/intel_2021.3/oneapi/compiler/2021.3.0/env/vars.sh
. /home/apps/chpc/compmech/compilers/intel_2021.3/oneapi/mkl/2021.3.0/env/vars.sh
. /home/apps/chpc/compmech/compilers/intel_2021.3/oneapi/mpi/2021.3.0/env/vars.sh
export CC=icc
export CXX=icpc
export FC=ifort
export F90=ifort
export F77=ifort
export MPICC=mpiicc
export MPICXX=mpiicpc
export MPIFORT=mpiifort
export MPIF77=mpiifort
export MPIF90=mpiifort

It is not necessary to use a machinefile for multi-node MPI runs.

Post-2024 OneAPI compilers are not compatible with Lengau's operating system. To use the most recent compatible version, use the following settings:

. /home/apps/chpc/compmech/compilers/intel/oneapi/setvars.sh
export CC=icx
export CXX=icpx
export FC=ifx
export F90=ifx
export F77=ifx
export MPICC=mpiicx
export MPICXX=mpiicpx
export MPIFORT=mpiifx
export MPIF77=mpiifx
export MPIF90=mpiifx
export I_MPI_HYDRA_BOOTSTRAP=ssh

It is not necessary to use a machinefile for multi-node MPI runs. However, the default bootstrap method using pbsdsh does not work, hence the need to set I_MPI_HYDRA_BOOTSTRAP. This is a typical command mpi run command:

mpirun -np 96 myMPIprogram.exe

Long-term data storage through DIRISA.

Here are instructions for using Globus to transfer data

A number of computer languages are available on the cluster. The preferred way to set up your environment to use a specific toolset is to load the appropriate modules to activate the needed libraries and set up the paths for the correct binaries.

• Compilers

Commercial software involves dealing with licensing.

Here is a tutorial video on ssh-tunneling with MobaXterm.

• Running Gaussian on the CHPC cluster

• How to use OpenFOAM and build your own code on the CHPC systems
• Using Ansys/Fluent at the CHPC
• Using Ansys/Mechanical at the CHPC
• Using Ansys/CFX at the CHPC
• Using Ansys Forte at the CHPC
• Using STAR-CCM+ at the CHPC
• Using ESI CFD-Ace at the CHPC
• Running Abaqus on the CHPC
• Using MFIX at the CHPC
• Using LIGGGHTS and lammps at the CHPC
• Using SU2 at the CHPC
• Using the Fire Dynamics Simulator FDS at the CHPC
• Using the discrete element code Rocky DEM at the CHPC
• Using Altair's UltraFluidX LBM code at the CHPC
• Using the lattice-Boltzman code Palabos at the CHPC
• Using the wind-energy code AMR-Wind at the CHPC

• How to use Feko at the CHPC

• How to use pre-installed bioinformatics tools

• COSMOMC
• cosmopmc
• Gadget-2
• Casacore
• AOFlagger

• GPU Cluster overview and generic instructions
• How to run NAMD
• How to run Gromacs

• How to run Gromacs

• dlpoly Material Sciences application

• python
• Running Tensorflow
• ipython_notebook

• Using R on the CHPC cluster

• Using Java on the CHPC cluster

• Using Co-array Fortran on the CHPC cluster

• Using Omni Compiler on the CHPC cluster

• tune

• Installing GCC 4.7.1 from source
• Installing Python 2.7.3 from source
• Installing Octave 3.6.3 from source
• Installing R 2.15.1 from source

• Remote OpenGL visualization with TurboVNC and VirtualGL
• Using Paraview
• Using Gnuplot
• Using ncview
• Using VisIt
• Using grace
• Using p4vasp
• Using Vesta

• Using Matlab on the cluster

• Running the WRF model
• Using Climate Data Operator (CDO)

• Running Windows applications