Molecular Dynamics software on FERMI
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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/20120816namd/2.9
For an example of the submission jobscript:
module help
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