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/Clusters/ |
Once you account on Stampede has been activated. Follow the instructions and tests to make sure everything is set up properly and functional.
Download and install:
To prevent X11 from timing out, open the terminal and type:
mkdir -p ~/.ssh
echo $'\nHost *\n ForwardX11Timeout 1000000\n' >>~/.ssh/config
Download and install:
- PuTTY
- Xming (Note: disable automatic installation of PuTTY with Xming. The above installer is a newer version)
From the terminal
For the Stampede cluster, make sure to read through the User Guide here.
login with your Stampede username (most probably start with tgxxxxxx
, check your account here)and password (you will aslo be asked for Mulit-factor Authorization).
Follow the instructions below for your system:
Open "Applications-> Utilities -> Terminal" or "Command+Space" to search Terminal using "spotlight search" In a terminal:
ssh -X username@stampede.tacc.utexas.edu
Launch Xming. You will always need to have this open in order to forward graphical windows from the external clusters.
Start PuTTY, and:
- “Session” → “Host Name”
username@stampede.tacc.utexas.edu
for Stampede - “Connection” → “SSH” → “X11” check “Enable X11 forwarding”
- Back in “Session”, you can save these settings for next time.
You can start putty several times, if you need several terminal windows; only one instance of Xming needed.
In a terminal:
ssh -X username@stampede.tacc.utexas.edu
For the first login only, run the following command:
cp /home1/03672/tg829713/vojgroup/bash_script/bashrc_copy ~/.bashrc
source ~/.bashrc
This will enable you to run specific software on the Stampede cluster, including the ASE interface to Quantum ESPRESSO.
There are two file partitions, the home
and the work
partition. Go ahead and make a symbolic link to the work
partition using:
ln -s $WORK work
Change the permission of files:
cd
cd work
mkdir CBE544
chmod g+X $WORK
chgrp -R G-818582 CBE544
chmod g+s CBE544
chmod g+rX CBE544
Perform all your calculations from the work/CBE544
For example, Create a folder hw5
under CBE544
and perform all calculations of HW5 in hw5
. If you have already started you jobs somewhere else, you can copy the entire folder to CBE544 once you have done all calculations (e.g. cp -r folderpath ~/work/CBE544/hw5
). However, you need to complete this step before sending us the report of HW5, and please include the path of CBE544
folder in your report or email. You can obtain the path by
cdw
cd CBE544
pwd
Once you are logged into the terminal, run:
ase-gui
and make sure a graphical interface appears. Next, run Python in interactive mode by typing:
python
and make sure the following commands work:
import ase
import numpy