VI-SEEM NAT-GR LS: Biomolecular modelling training on National HPC Infrastructure ARIS

Wednesday, 9 November 2016 - 10:00
ΕΔΕΤ Α.Ε. (Meeting Room 1)

        : Sessions
    /     : Talks
        : Breaks
9 Nov 2016
AM
10:00
Έναρξη (until 10:10) (Meeting Room 1)
10:10
Χρήση του NAMD σε HPC γενικά (slurm script, hybrid/pure mpi/gpu klp) (until 11:00) (Meeting Room 1)
11:00
Setting up the system (until 11:30) (Meeting Room 1)
11:30
Coffe Break (until 12:00) (Meeting Room 1)
PM
12:00
Structure Minimization (until 12:30) (Meeting Room 1)
12:30
Ηeating, equilibration (until 13:00) (Meeting Room 1)
13:00
Lunch Break (until 14:00) (Meeting Room 1)
14:00
Production runs (until 14:30) (Meeting Room 1)
14:30
Analysis of data (until 15:00) (Meeting Room 1)
15:00
Problems, best practices, efficient use of resources (until 16:00) (Meeting Room 1)