CP2K Open Source Molecular Dynamics

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exercises:2015_uzh_molsim:ssh [2015/05/04 12:04] – yakutovichexercises:2015_uzh_molsim:ssh [2015/05/04 21:18] – yakutovich
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-====== Working on remote computers with SSH ======+-====== Working on remote computers with SSH ======
  
 The [[http://en.wikipedia.org/wiki/Secure_Shell|Secure Shell]] network protocol allows you to connect to remote computers through a an encrypted channel. SSH is the standard tool used by computational scientists to interact with computer clusters and supercomputers around the world. The [[http://en.wikipedia.org/wiki/Secure_Shell|Secure Shell]] network protocol allows you to connect to remote computers through a an encrypted channel. SSH is the standard tool used by computational scientists to interact with computer clusters and supercomputers around the world.
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 Once you have a user name on the remote computer (ask your teaching assistant), you can connect to it: Once you have a user name on the remote computer (ask your teaching assistant), you can connect to it:
 <code bash> <code bash>
-ssh -X studentXX@pcihopt3.uzh.ch       # Connect to host tcopt3.chem.uzh.ch with X11 forwarding +ssh -X studentXX@tcopt3.chem.uzh.ch       # Connect to host tcopt3.chem.uzh.ch with X11 forwarding 
 </code> </code>
 The ''-X'' flag ensures that when you run a program with a graphical user interface on the remote computer (such as VMD), the graphical user interface will be //forwarded// to your local machine. The ''-X'' flag ensures that when you run a program with a graphical user interface on the remote computer (such as VMD), the graphical user interface will be //forwarded// to your local machine.
  
-<note>**TASK 1** 
  
-  - connect to pcihopt3 and test gnuplot and VMD 
-</note> 
  
 <note tip> <note tip>
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   * Install the [[http://sourceforge.net/projects/xming/|Xming]] X Server for Windows   * Install the [[http://sourceforge.net/projects/xming/|Xming]] X Server for Windows
   * Connect to the internet via UZH VPN   * Connect to the internet via UZH VPN
-  * Configure PuTTY and Xming as described [[http://www.math.umn.edu/systems_guide/putty_xwin32.html|here]]+  * Configure PuTTY and Xming as described [[https://wiki.utdallas.edu/wiki/display/FAQ/X11+Forwarding+using+Xming+and+PuTTY|here]]
 </note> </note>
 +
 +<note>**TASK 1**
 +
 +  - connect to tcopt3. This will be your working space for all exercises.
 +  - Change the default password to a personal one using command:
 +<code bash>
 +passwd
 +</code>
 +</note>
 +
 +
 +
 ====== File transfer ====== ====== File transfer ======
  
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 Since you are connecting to the machine for the first time, this directory will be basically empty. Since you are connecting to the machine for the first time, this directory will be basically empty.
  
-Let's fill it with some useful data: Copy the ''intro'' directory from your local machine to the remote computer by using the [[http://en.wikipedia.org/wiki/Secure_copy|scp]] program:+Let's fill it with some useful data. A directory is provided on the home page as a [[http://www.gnu.org/software/tar/manual/html_node/index.html|tar archive]]. Download ''intro.tar'' to your local machine and unpack it: 
 +<code bash> 
 +tar xf intro.tar  
 +</code> 
 +For Windows you can use [[http://www.7-zip.org/download.html| 7zip archive manager]] if you don't have it 
 + 
 + 
 +Copy the ''intro'' directory from your local machine to the remote computer by using the [[http://en.wikipedia.org/wiki/Secure_copy|scp]] program:
 <code> <code>
 pwd                                                         # print your home directory pwd                                                         # print your home directory
 exit                                                        # exit ssh connection exit                                                        # exit ssh connection
-scp -r intro exer01@pcihopt3.uzh.ch:/path/to/home/directory # copy directory 'intro' to remote computer+scp -r intro studentXX@tcopt3.chem.uzh.ch:/path/to/home/directory # copy directory 'intro' to remote computer
 </code> </code>
  
-<note>**TASK 2** 
- 
-  - The files required for the introduction part are also provided on the home page as a [[http://www.gnu.org/software/tar/manual/html_node/index.html|tar archive]]. Download ''intro.tar'' to your local machine.  
-  - Copy the tar archive to the remote machine and extract it using ''tar xf intro.tar'' 
-  - Try some of the previous exercises on the remote computer. 
-</note> 
  
 <note tip> <note tip>
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 This works just analogously: This works just analogously:
 <code> <code>
-scp -r exer01@pcihopt3.uzh.ch:/path/to/directory . # copy directory from remote computer to working directory+scp -r studentXX@tcopt3.chem.uzh.ch . # copy directory from remote computer to the current directory on your local computer
 </code> </code>
 +
 +<note tip>
 +
 +There is also a possibility to download the archive intro.tar directly to the tcopt3 server via the following command:
 +
 +<code bash>
 +wget http://cp2k.org/_media/exercises:2015_uzh_molsim:intro.tar
 +mv exercises:2015_uzh_molsim:intro.tar intro.tar
 +</code>
 +</note>
  
exercises/2015_uzh_molsim/ssh.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1