Instruction for lecturer

Computational cloud ressources available

The summer school cloud cluster is hosted on the Beluga cluster with an allocation of: * 16 x Intel Xeon Cascade Lake @ 2.2 GHz (32 cores) with 240GB of RAM * 10 TB of shared disk space (NFS)

Software configuration is: * OS are based on CentOS 7.x. Singularity container is possible. * Compute Canada software stack is available: https://docs.alliancecan.ca/wiki/Available_software * One login node will be reachable by ssh and jobs scheduling will be done with SLURM: https://docs.alliancecan.ca/wiki/Running_jobs

Connection to the summer school cloud cluster

Connection to the summer school cloud cluster is accessible by ssh. Open a terminal and enter (remplace XX by your lecturer number):

ssh lectXX@quantum2024.ccs.usherbrooke.ca

Then type your password. Note the character won’t appear but they are still entered.

Sharing files with students and online documentation

Using your lectXX account, you have write access to shared directories with other lecturers and students to put examples, lecture pdf, documentation or software in the /project/doc directory. To access this directory:

cd /project/doc

In /project/doc there is one directory per software used in the summer school and one per lesson (example /project/doc/nessi and /project/doc/DMFT). These directories can be accessed from the internet at doc.quantum2024.ccs.usherbrooke.ca/<directory_name> (example: https://doc.quantum2024.ccs.usherbrooke.ca/abinit ) Don’t forget to set the correct permissions for students to be able to see the content (chmod o+r [files] or chmod -R o+rx [directory]).

Install software

You can ask the support team ( school_support@calculs.ca ) to create a software directory, for exemple:

cd /project/soft/abinit

Modules

A last directory /project/modules/ can be used to put modulefile configuration.

Loading softwares

Each new session opened on the cluster comes by default with no softwares installed that must be loaded manually as modules. To search in the software stack if a particular software in the right version is available:

module spider <software_name>

Then, more details on how to load the specific version can be found with:

module spider <software_name>/<version>

Sometimes, multiple modules need to be loaded before the software itself (for example the dependencies of the software).

For example (and a complex one), to see if the software TRIQS is installed and which version is available:

module spider triqs #say TRIQS available in version 3.1.0
module spider triqs/3.1.0 #say we need gcc/10.3.0, hdf5-mpi/1.12.1 ...
module load gcc/10.3.0 hdf5-mpi/1.12.1 fftw-mpi/3.3.9 #load dependencies
module load triqs #finally

Emergency on-site Jouvence serer (not yet available)

A emergency (in case we experience internet connection problem for example) local server will be reachable on: quantum-jouvence.ccs.usherbrooke.ca.

The hadware configuration is:

Getting help

If you need help to install softwares or have any questions or requests, please send a message to shool_support@calculs.ca