Molecular Dynamics software on FERMI

Dear HPC Users,

we inform you that three of the most used softwares for Molecular Dynamics simulations are available as module on FERMI:

gromacs/4.5.5
lammps/20120816
namd/2.9

For an example of the submission jobscript:

module help <module_name>

For other info about FERMI and the scheduler please read the reference guide:

http://www.hpc.cineca.it/content/fermi-reference-guide

Best regards,

HPC User Support @ CINECA