CP2K Open Source Molecular Dynamics

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exercises:2018_uzh_acpc2:installation [2018/04/16 15:14] – [0.1b Installation of XCode and XQuartz on Mac OSX] gtocciexercises:2018_uzh_acpc2:installation [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 If you are running on a Mac OS X you need to install XCode and XQuartz. If you are running on a Mac OS X you need to install XCode and XQuartz.
  
-You need to use an X11 server. Download and install [[https://www.xquartz.org/|XQuartz]] unless you already have it on your machine.+Download and install [[https://www.xquartz.org/|XQuartz]] unless you already have it on your machine.
  
 Also, you need to install XCode from the apple store or from the following link: [[https://developer.apple.com/xcode/|XCode]]. Also, you need to install XCode from the apple store or from the following link: [[https://developer.apple.com/xcode/|XCode]].
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 ===== 0.2b CP2K Installation on Mac OS X ===== ===== 0.2b CP2K Installation on Mac OS X =====
  
-Visit [[http://sourceforge.net/projects/cp2k/files/|sourceforge CP2K project page]] and download any of ''cp2k-2.6.2.tar.bz2''.\\+Visit [[http://sourceforge.net/projects/cp2k/files/|sourceforge CP2K project page]] and download ''cp2k-2.6.2.tar.bz2''.\\
 Unpack the compressed ''tar.bz2'' file by using the following command from the Apple terminal:\\ Unpack the compressed ''tar.bz2'' file by using the following command from the Apple terminal:\\
 <code> <code>
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 ===== 0.3 First CP2K simulation ===== ===== 0.3 First CP2K simulation =====
-It is possible to run cp2k from any directory your own machine by adding a line to your ''.bashrc'' file, without having to specify the location of the binary. +It is possible to run cp2k from any directory on your own machine by adding a line to your ''.bashrc'' file, without having to specify the location of the ''cp2k.sopt'' file. 
  
-To do this go to the directory where the binary is located and type ''pwd''. Copy the output of this command and edit the ''.bashrc'' file located on your home directory:+To do this change to the directory where the ''cp2k.sopt'' binary is located and type ''pwd''. Copy the output of this command and edit the ''.bashrc'' file located on your home directory:
 To edit the ''.bashrc'' file type To edit the ''.bashrc'' file type
 <code> <code>
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 </code> </code>
 You just ran a short Molecular Dynamics trajectory of liquid argon.  You just ran a short Molecular Dynamics trajectory of liquid argon. 
 +
  
 ===== 0.4 Visualization with VMD ===== ===== 0.4 Visualization with VMD =====
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 {{:exercises:2018_uzh_acpc2:argon_liq_first_sim.png?400 |}} {{:exercises:2018_uzh_acpc2:argon_liq_first_sim.png?400 |}}
 +
  
 ===== 0.5 Plotting tools ===== ===== 0.5 Plotting tools =====
exercises/2018_uzh_acpc2/installation.1523891665.txt.gz · Last modified: 2020/08/21 10:15 (external edit)