Below listed are prerequisites to the practical part of each topic.
Please get acquainted to them and prepare your device accordingly. In case of any issues please contact us with detailed problem description, screen shots etc.
Additionally we prepared "Setup: technical environment" session on the first day of the School to help participants if some individual problems with meeting the requirements will still be unresolved.
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WEATHER FORECASTING | DAY 1
ESIAS-met:
- Valid account on EAGLE and access to SaaS Portal of PSNC (All accounts will be set on he first day during 10:15 "Setup: Technical environment (ses-tech)" );
- ssh connection: with the ability to connect the HPC and download the data using scp command;
- Installing ncview, jupyter or python3 with the support from netCDF4, matplitlib, and xarray. Alternative is using Anaconda (https://www.anaconda.com/);
Please double check that the python module netCDF4 and matplotlib is installed by doing this with python/jupyter:- import netCDF4
- import matplotlib
- import xarray
You are ready for analysis if you got no problem with above modules.
- Please also create an account for JUWELS tutorial. You will receive approval for using backup HPC resources there. Link for the account creation
https://judoor.fz-juelich.de/projects/join/training2220
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MATERIALS | DAY 2
libNEGF:
- Valid account on EAGLE and access to SaaS Portal of PSNC (All accounts will be set on he first day during 10:15 "Setup: Technical environment (ses-tech)" );
- Compilation of latest dftb+ 21.3 For this we need:
- Fortran compiler available, e.g., gfortran, version > 8.1
- MPI support
- LAPACK libraries (better MKL if on Intel machines)
- Parallel jobs: 48 to 96 parallel tasks
- Install the atomistic structure visualizer Jmol (https://sourceforge.net/projects/jmol/files/)
- Install a 2D plot tool.
Anything can do (Xmgrace, python, jupyter-notebook);
If you use Windows, Matlab or Origin are also fine. AptPlot may also be used (free). - Install the three utility codes available here: http://192.167.227.243/
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MATHEMATICAL SOFTWARE | DAY 3
PSCToolkit:
- Valid account on EAGLE and access to SaaS Portal of PSNC (All accounts will be set on he first day during 10:15 "Setup: Technical environment (ses-tech)" );
- GNU Fortran, C and C++ compilers, version >4.8
- MPI support
