exercises:2019_uzh_acpc2:installation
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exercises:2019_uzh_acpc2:installation [2019/04/03 21:07] – [0.2a CP2K Installation on Windows] jglan | exercises:2019_uzh_acpc2:installation [2019/04/03 21:11] – [0.2b CP2K Installation on Mac OS X] jglan | ||
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===== 0.2a CP2K Installation on Windows ===== | ===== 0.2a CP2K Installation on Windows ===== | ||
- | Download CP2K using git command or from [[github website|https:// | + | Download CP2K using git command or from [[https:// |
< | < | ||
git clone --recursive https:// | git clone --recursive https:// | ||
</ | </ | ||
- | After downloading you will find it in the directory '' | + | After downloading |
In order to compile cp2k one has to specify an arch file to indicate which compilers and libraries to use. | In order to compile cp2k one has to specify an arch file to indicate which compilers and libraries to use. | ||
- | Change directory to '' | + | Change directory to '' |
Copy the following lines and paste into the newly opened '' | Copy the following lines and paste into the newly opened '' | ||
Line 106: | Line 106: | ||
</ | </ | ||
Save this file (again if you use vim type '' | Save this file (again if you use vim type '' | ||
- | Finally change directory to '' | + | Run the '' |
< | < | ||
make ARCH=Cygwin-i686-gfortran VERSION=sopt | make ARCH=Cygwin-i686-gfortran VERSION=sopt | ||
</ | </ | ||
- | If you find '' | + | If you find '' |
===== 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 '' | + | Download CP2K using git command or from [[https://github.com/cp2k/cp2k.git | github website]]:\\ |
- | Unpack the compressed '' | + | |
< | < | ||
- | tar -xvf cp2k-2.6.2.tar.bz2 | + | git clone --recursive https:// |
</ | </ | ||
- | After the code has been extracted | + | |
+ | After the code you will find it in the directory '' | ||
In order to compile cp2k one has to specify an arch file to indicate which compilers and libraries to use. | In order to compile cp2k one has to specify an arch file to indicate which compilers and libraries to use. | ||
- | Change directory to '' | + | Change directory to '' |
< | < | ||
Line 139: | Line 139: | ||
</ | </ | ||
- | Save it as '' | + | Save it as '' |
- | Launch the Terminal and change the working directory to '' | + | Launch the Terminal and change the working directory to '' |
< | < | ||
make ARCH=Darwin-IntelMacintosh-gfortran VERSION=sopt | make ARCH=Darwin-IntelMacintosh-gfortran VERSION=sopt | ||
Line 146: | Line 146: | ||
It may take quite a while until a compilation is completed. | It may take quite a while until a compilation is completed. | ||
- | If you find '' | + | If you find '' |
===== 0.3 First CP2K simulation ===== | ===== 0.3 First CP2K simulation ===== |
exercises/2019_uzh_acpc2/installation.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1