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Replica exchange of the disordering of a cluster
<note warning> For this job we will use the cluster HYPATIA available at Empa. There we have access to parallel facilities with reserved nodes for the lecture. How to connect to HYPATIA:
Dear Student,
In order to be able to run simulations at high priority, today we will work on the Empa Cluster. We have created a personal account for you. Since the cluster is behind a firewall, we must connect to a gate machine (jumphost) to be allowed to access to the cluster. For security reasons, there are two temporary passwords that you should change to a personal password (can be the same for the gate and for the cluster.
Here the instructions to connect. Your username/password (EMPA-USER, TEMP-PASSW1, TEMP-PASSW2) are listed at the end of this message.
1) Decide a password (we will call it EMPA-PASSW )
2) connect to the jumphost:
ssh -X EMPA-USER@jump1.empa.ch Password: TEMP-PASSW1
3) Accept the contract
4) Set a new password (input old password, TEMP-PASSW1, write new password, EMPA-PASSW)
5) Connect to hypatia: ssh -X hypatia password: TEMP-PASSW2
6) Accept the contract
7) Change your password as in point 4) using TMP-PASSW2 as old password and set EMPA-PASSW
User-specific information (note: TMP-PASSW1 ist the password for jump1, that is the FIRST one, but is listed as second):
EMPA-USER:TMP-PASSW2:TMP-PASSW1
[you@hypatia ~]$ mmm-init [you@hypatia ~]$ cd /mnt/scratch/YOURUSER/ [you@hypatia ~]$ cp -r /home/psd/exercise_7 . [you@hypatia ~]$ cd exercise_7
The commands that you need to do to perform the exercise are, in this order:
[you@hypatia ~]$ qsub 00_run [you@hypatia ~]$ ./01_adapt_files [you@hypatia ~]$ ./02_reorder [you@hypatia ~]$ ./03_extract_allaverages