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exercises:2017_uzh_acpc2:login [2017/03/29 14:58] – created jglanexercises:2017_uzh_acpc2:login [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 In this exercise you will learn how to login and run commands on our infrastructure. In this exercise you will learn how to login and run commands on our infrastructure.
 +
 +
  
 ===== Part I: Login ===== ===== Part I: Login =====
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 </code> </code>
 </note> </note>
 +
 +
 +<note important>Login the remote machine using (if you use Linux or MacOS):
 +<code>
 +$ ssh -X username@tcopt3.chem.uzh.ch
 +</code>
 +</note>
 +
 +
 +===== The bash terminal=====
 +
 +Many tasks in the following weeks will need to be performed on the terminal (or 'command line').
 +
 +<note tip>
 +If you use Mac OS X:
 +In order to keep the terminal in the dock also after you close it, right click on the symbol and select 'Options' -> 'keep in dock'.
 +</note>
 +
 +
 +Let's start with a list of useful commands -- just type them into the command line and confirm with ''RETURN''.
 +<code bash>
 +ls             # get list of files in the current directory
 +mkdir molsim   # make directory 'molsim'
 +cd             # change into your home directory
 +cd molsim      # change into directory 'molsim'
 +cd ..          # go up one directory
 +pwd            # print path to the current working directory
 +
 +</code>
 +
 +Now it is time to copy some files from the teacher account.
 +
 +<code bash>
 +
 +cp ~student10/whatever.txt .               # copy 'whatever.txt' to you current folder
 +scp your_username@remotehost.edu:foobar.txt /some/local/directory  #Copy the file "foobar.txt" from a remote host to the local host
 +scp foobar.txt your_username@remotehost.edu:/some/remote/directory #Copy the file "foobar.txt" from the local host to a remote host
 +</code>
 +
 +After this, please close and reopen your terminal in order to activate the course-specific 
 +settings you copied.
 +
 +We are now ready to get started. Below you find some additional commands that will come in handy later.
 +
 +<code bash>
 +vim myfile      # opens 'myfile' in vim (less intuitive but more powerful command line text editor)
 +vi myfile       # opens 'myfile' in vim (less intuitive but more powerful command line text editor)
 +</code>
 +
  
 ===== Part II: Loading and running a program ===== ===== Part II: Loading and running a program =====
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   --xml             : dumps the whole CP2K input structure as a XML file   --xml             : dumps the whole CP2K input structure as a XML file
                       xml2htm generates a HTML manual from this XML file                       xml2htm generates a HTML manual from this XML file
 +</code>
 +
 +Now you can run cp2k using:
 +<code>
 +$ cp2k.sopt -i cp2k.inp -o cp2k.out &
 </code> </code>
  
exercises/2017_uzh_acpc2/login.1490799538.txt.gz · Last modified: 2020/08/21 10:15 (external edit)