High Performance Molecular Dynamics

Logging into CINECA's computer systems

To logon to the M100 system use the following command from an SSH client

ssh [email protected]

where username will be provided by the demonstrators.

Note also that the demonstrators will also provide you with a computing budget to use called an "account". This has already been inserted in the example scripts.

Downloading the tutorial files

To download and use the example files for the tutorials use the following command after having logged in:

git clone https://gitlab.hpc.cineca.it/training/molecular-dynamics.git
cd molecular-dynamics

Each tutorial will have its own directory name, for example:

cd essential-dynamics

The demonstrators will from time-to-time update the tutorial or upload solutions to problems. To see the updates use the following git command:

git pull

In case of problems contact a demonstrator.