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 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

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

mpirun -np 96 -bootstrap ssh myMPIprogram.exe

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”.

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