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Available Versions of fdmnes

Version

Module

Available on

22.11.23

chem/fdmnes/22.11.23

Noctua 1

This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.

Usage Hints for fdmnes

You will find two example SLURM job scripts in $PC2SW/FDMNES
subseq.sh  which submits the "sequential" version of fdmnes
subpar.sh  which submits the MPI parallel version of fdmnes

Copy the script(s) to your PC2PFS directory and adapt it to your requirements.
Create the file fdmfile.txt in the working directory and call sbatch subseq.sh or subpar.sh

Documentation on fdmnes is in $PC2SW/FDMNES/VERSION/fdmnes_Linux/Doc
Example input files are in $PC2SW/FDMNES/VERSION/fdmnes_Linux/Sim/Test_stand/in

If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.

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