Name: Biomolecular modelling training on National HPC Infrastructure ARIS
Start: 2016-11-09T10:00:00+02:00
End: 2016-11-09T16:00:00+02:00
Location: ΕΔΕΤ Α.Ε.

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

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)

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)