Command Line Interface
Users interact with an HPC system through a command line interface (CLI), there are... y this is especially true for Unix-like operating systems like Linux, because for the typically Linux based cluster systems graphical user interfaces (GUIs) are rarely avai... The secure shell is a prerequisite for using HPC systems, because it is needed to log in, and to copy fil
Queuing-System (SLURM) and Jobfiles
Target audience: Beginners in Environmental Modules and the Queuing-System SLURM
Important info:
Big parts of this script wa... to how to use Environment Modules, a widely used system for handling different software environments (bas... b submission and cancellation
Monitoring job and system information
Retrieving accounting information
J
e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
NAMD ... igh-performance simulations of large biomolecular systems using force fields.
LAMMPS - A parallel, clas... als, soft matter and coarse-grained or mesoscopic systems.
LIGGGHTS - An Open Source Discrete Element M... age.
GOMC - A software for simulating molecular systems using the Metropolis Monte Carlo algorithm.
To
ten, sind einige wenige Grundkenntnisse mit Linux-System erforderlich.
Zur Arbeit auf dem Cluster stellen ... alloc: Job allocation 336 has been revoked.
Modulsystem
Auf dem Phoenix ist das Environment Modules System (kurz Modules) installiert.
Module verändern/erweitern... ###############
cat << EOF > ${env_file}
mp_file_system = (DETECT,DETECT)
EOF
node_list=$(scontrol show
ween the user's home computer and the server file system. This can be done by navigating through a graphic... ample dragging and dropping files into their file-system on the server.
WinSCP therefore provides an easy... files to the server
You should now see the file system of your local machine on the left and the content... d ExampleJob.job and upload it to our remote file system. The jobfile, which does nothing at all, looks as